CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1 ZINC000000001961 EG Annotated Reactive in-vitro CN(C)C(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc2cccnc21 ZINC000000002336 EG Annotated Anodyne Cc1ccc(-n2c(COc3ccc(Cl)c(C)c3)n[nH]c2=O)cc1 ZINC000000004641 EG Annotated Anodyne CCO[C@@H](C)n1c([S@](=O)Cc2ccccn2)nc2ccccc21 ZINC000000004900 EG Annotated Anodyne O=[S@](Cc1cc(OCC2CC2)ccn1)c1nc2cc(F)ccc2[nH]1 ZINC000000004925 EG Annotated Anodyne COc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)s1 ZINC000000005283 EG Annotated Mild CC(C)CCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000000006269 EG Annotated Anodyne CCCN(C)C(=O)Oc1no[n+]([O-])c1-c1c(Cl)cccc1Cl ZINC000000006751 EG Annotated Anodyne Cc1c(N2CCCCC2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000000006771 EG Annotated Anodyne CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000000008628 EG Annotated Anodyne COc1cc2c(c(N)c1OC)C(=O)/C(=C/c1cc(C)c(O)c(C)c1)C2 ZINC000000008694 EG Annotated Mild Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC2)c1 ZINC000000008863 EG Annotated Anodyne C[C@@H]1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C ZINC000000009032 EG Annotated Anodyne N=C(N)c1ccc2oc(CCc3cc4ccc(C(=N)N)cc4[nH]3)cc2c1 ZINC000000009107 EG Annotated Anodyne S=C(Nc1cccc(CN2CCSCC2)c1)c1ccccn1 ZINC000000011414 EG Annotated Anodyne Cc1[nH]cnc1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000000018503 EG Annotated Anodyne CN(C)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000000019629 EG Annotated Anodyne O=C1Nc2c(C(F)(F)F)cccc2[C@]1(O)c1cc(Cl)ccc1O ZINC000000021695 EG Annotated Anodyne CCc1c(Oc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O ZINC000000022558 EG Annotated Anodyne O=C(NCc1ccccc1Br)c1ccc2cnccc2n1 ZINC000000022717 EG Annotated Anodyne C[C@@H](NC(=O)N1C(=O)C[C@@H]1SCc1ccccn1)c1ccccc1 ZINC000000023547 EG Annotated Anodyne O=C1CO[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1 ZINC000000023592 EG Annotated Mild CCOc1ccc(NC2=C(Cl)C(=O)c3ccncc3C2=O)cc1 ZINC000000023595 EG Annotated Mild NC(=O)Nc1cccc2c1C(=O)c1c(-c3csc(Cl)c3)n[nH]c1-2 ZINC000000023905 EG Annotated Anodyne O=c1nc(NC2CCCC2)ccn1Cc1cccc(Br)c1 ZINC000000036953 EG Annotated Anodyne O=[N+]([O-])c1ccc2oc(SCc3cn4cccnc4n3)nc2c1 ZINC000000067819 EG Annotated Anodyne CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000000074676 EG Annotated Mild CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000000074686 EG Annotated Mild Cc1ccc2nsnc2c1NC(=O)c1cncc(Br)c1 ZINC000000087694 EG Annotated Anodyne N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccnc1 ZINC000000088482 EG Annotated Reactive N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccnc1 ZINC000000088494 EG Annotated Reactive N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccncc1 ZINC000000088499 EG Annotated Reactive N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccncc1 ZINC000000088507 EG Annotated Reactive COc1ccc(OC)c2c(N3CCOCC3)cc(C(F)(F)F)nc12 ZINC000000092782 EG Annotated Anodyne CCc1c(C)nc(N)nc1-n1nc(C(F)(F)F)cc1C(F)(F)F ZINC000000092788 EG Annotated Anodyne c1cc2n(c1)-c1c(ccc3c1OCO3)CN[C@H]2c1ccc2c(c1)OCO2 ZINC000000109696 EG Annotated Anodyne c1cc2n(c1)-c1c(ccc3c1OCO3)CN[C@@H]2c1ccc2c(c1)OCO2 ZINC000000109700 EG Annotated Anodyne COc1ccccc1[C@H]1NCc2ccc3c(c2-n2cccc21)OCO3 ZINC000000111582 EG Annotated Anodyne Cc1nc([C@@H]2C(=O)c3ccc(O)c(O)c3O[C@@H]2C(F)(F)F)cs1 ZINC000000121995 EG Annotated Clean Cc1nc([C@H]2C(=O)c3ccc(O)c(O)c3O[C@@H]2C(F)(F)F)cs1 ZINC000000121998 EG Annotated Clean Cc1nc([C@@H]2C(=O)c3ccc(O)c(O)c3O[C@H]2C(F)(F)F)cs1 ZINC000000122001 EG Annotated Clean Cc1nc([C@H]2C(=O)c3ccc(O)c(O)c3O[C@H]2C(F)(F)F)cs1 ZINC000000122007 EG Annotated Clean Cc1nnsc1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000139644 EG Annotated Anodyne NC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1N ZINC000000143663 EG Annotated Anodyne CCN1C(=O)/C(=C/C=C2\CCCN2C)N(c2ccccc2)C1=S ZINC000000179482 EG Annotated Anodyne O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 ZINC000000180275 EG Annotated Anodyne O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 ZINC000000180276 EG Annotated Anodyne O=C(Nc1ccccc1)n1c(=O)oc2cc(Br)ccc21 ZINC000000188872 EG Annotated Anodyne Cc1cc(C)c(OC[C@H](O)CNC2CC(C)(C)NC(C)(C)C2)c(C)c1 ZINC000000189882 EG Annotated Anodyne Cc1cc(C)c(OC[C@@H](O)CNC2CC(C)(C)NC(C)(C)C2)c(C)c1 ZINC000000189887 EG Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)NC(=O)N1 ZINC000000196840 EG Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)NC(=O)N1 ZINC000000196843 EG Annotated Anodyne COc1ccccc1/N=C(\O)CSc1nnc(C(F)(F)F)o1 ZINC000000199296 EG Annotated Mild COc1cc(OC)c(CN2CCSCC2)cc1Br ZINC000000200390 EG Annotated Anodyne Cc1cccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1C ZINC000000201416 EG Annotated Anodyne Cc1ccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c(C)c1 ZINC000000201419 EG Annotated Anodyne O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCC1=CCCCC1 ZINC000000201487 EG Annotated Anodyne N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1Br ZINC000000207397 EG Annotated Reactive N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1Br ZINC000000207401 EG Annotated Reactive CC(C)CCCN1C(=O)NC(=O)/C(=C\c2ccccc2Cl)C1=O ZINC000000208863 EG Annotated Clean CN(C)/C=C/C(=O)c1nnn(-c2ccccc2)c1Nc1ccccc1 ZINC000000210979 EG Annotated Mild CCOc1ccc(S(=O)(=O)NCc2ccccc2)c2cccnc12 ZINC000000211236 EG Annotated Anodyne CCc1ccc(NC(=O)CCN2C(=S)NC(C)(C)C[C@@H]2C)cc1 ZINC000000211950 EG Annotated Anodyne CCc1ccc(NC(=O)CCN2C(=S)NC(C)(C)C[C@H]2C)cc1 ZINC000000211951 EG Annotated Anodyne CCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccc(F)cc1 ZINC000000212140 EG Annotated Anodyne CCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1 ZINC000000212142 EG Annotated Anodyne CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000000212153 EG Annotated Anodyne CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000000212156 EG Annotated Anodyne CCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000000212165 EG Annotated Anodyne CCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000000212168 EG Annotated Anodyne CC(C)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000000212171 EG Annotated Anodyne CC(C)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000000212173 EG Annotated Anodyne O=C1CN(C(=O)C2CC2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000000212179 EG Annotated Anodyne O=C1CN(C(=O)C2CC2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000000212180 EG Annotated Anodyne CC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)C[S@](=O)C2 ZINC000000212241 EG Annotated Anodyne CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 ZINC000000212309 EG Annotated Anodyne Cc1ccc(/N=C(\O)CCN2C(=O)c3ccncc3C2=O)c(Cl)c1 ZINC000000212596 EG Annotated Mild CCc1ccc(N(CC)S(=O)(=O)c2cccc3nonc23)cc1 ZINC000000212919 EG Annotated Clean COc1ccccc1C/N=C(\O)CCS(=O)(=O)c1cccs1 ZINC000000213713 EG Annotated Mild CC[C@H]1CCCCN1[C@@H]1Sc2ccc(C(=O)OC)cc2NC1=O ZINC000000216631 EG Annotated Anodyne Cc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1 ZINC000000217236 EG Annotated Anodyne Cc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1 ZINC000000217239 EG Annotated Anodyne Cc1ccc(CCN2C[C@@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1 ZINC000000220834 EG Annotated Anodyne Cc1ccc(CCN2C[C@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1 ZINC000000220835 EG Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CCN1N=C(c2ccccc2)CCC1=O ZINC000000221164 EG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)CCN1N=C(c2ccccc2)CCC1=O ZINC000000221165 EG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CCN1N=C(c2ccccc2)CCC1=O ZINC000000221167 EG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CCN1N=C(c2ccccc2)CCC1=O ZINC000000221170 EG Annotated Anodyne CCc1ccc([C@H]2C[C@@H](c3cccc(OC)c3)n3nnnc3N2)cc1 ZINC000000222442 EG Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3)n3nnnc3N2)cc1 ZINC000000222443 EG Annotated Anodyne CCc1ccc([C@@H]2C[C@H](c3cccc(OC)c3)n3nnnc3N2)cc1 ZINC000000222446 EG Annotated Anodyne CC(=O)OC[C@@]12CO[C@H](CN3CCCCC3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000000228815 EG Annotated Anodyne C[C@H]1CCCN1c1ccc2[nH]c(=O)c(Cc3ccc(F)cc3)nc2n1 ZINC000000232977 EG Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(C)nc4n3)C[C@H]2C)c1 ZINC000000233121 EG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N(C)C ZINC000000234396 EG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N(C)C ZINC000000234400 EG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1 ZINC000000234420 EG Annotated Anodyne O=S(=O)(Cc1ccccc1)C1=C(N2CCOCC2)CCCCCC1 ZINC000000259050 EG Annotated Anodyne O=C1OCC(=O)N(Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000000261089 EG Annotated Anodyne O=C1OCC(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000000261091 EG Annotated Anodyne O=C(CC[C@@H]1CC(=O)Nc2ccccc21)NCc1ccc(F)cc1 ZINC000000261127 EG Annotated Anodyne CC(=O)N1CCC(N(C(=O)Nc2c(F)cccc2F)C(C)C)CC1 ZINC000000261766 EG Annotated Anodyne COc1cccc(OC)c1C(=O)Oc1ccc2sc(=O)oc2c1 ZINC000000264906 EG Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000000269723 EG Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000000269725 EG Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)O)[C@H]2c2ccc(F)cc2)cc1 ZINC000000269726 EG Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)O)[C@H]2c2ccc(F)cc2)cc1 ZINC000000269728 EG Annotated Anodyne O=C1/C(=C/c2ccccc2O)C(O)=NC(=S)N1c1ccc(F)cc1 ZINC000000270401 EG Annotated Clean CCOc1cc(Br)cc(/C=N/c2ncccc2O)c1O ZINC000000291230 EG Annotated Mild Cc1ccc/c(=N/S(=O)(=O)c2ccc(Oc3ccccc3)cc2)[nH]1 ZINC000000308374 EG Annotated Anodyne COc1cc(-c2nc(C(F)(F)F)c(OC)o2)cc(OC)c1OC ZINC000000340585 EG Annotated Anodyne Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3)c(=O)c2C#N)cc1 ZINC000000343709 EG Annotated Mild Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(C)cc3)c(=O)c2C#N)cc1 ZINC000000343713 EG Annotated Mild aggregator CC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000000369488 EG Annotated Mild CSc1nn(-c2cc(Cl)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000384919 EG Annotated Mild CCN(CC)P(=S)(c1c(C)nc2ccccn12)N(CC)CC ZINC000000392353 EG Annotated Reactive COc1ccc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2c1 ZINC000000411044 EG Annotated Anodyne CC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2n2nnnc12 ZINC000000412357 EG Annotated Anodyne CCOC(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC ZINC000000415588 EG Annotated Anodyne CCOC(=O)[C@@H](C)Sc1nnc2n1C(C)(C)Cc1ccccc1-2 ZINC000000420434 EG Annotated Anodyne CCOC(=O)[C@H](C)Sc1nnc2n1C(C)(C)Cc1ccccc1-2 ZINC000000420435 EG Annotated Anodyne Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCCC1 ZINC000000420682 EG Annotated Clean CCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccncc1 ZINC000000422457 EG Annotated Anodyne CC(C)NC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2 ZINC000000423308 EG Annotated Anodyne Cn1cc(/C(O)=N/Cc2ccco2)c2c3ccccc3n(C)c2c1=O ZINC000000423570 EG Annotated Mild COc1cccc2cc(C(N)=O)/c(=N/Cc3cccc(Cl)c3)oc12 ZINC000000424133 EG Annotated Anodyne S=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1cccnc1 ZINC000000425957 EG Annotated Anodyne S=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1cccnc1 ZINC000000425958 EG Annotated Anodyne CCOc1ccccc1-n1cc(-c2cc3ccccc3oc2=O)[nH]c1=O ZINC000000426757 EG Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000000426806 EG Annotated Anodyne CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000000426815 EG Annotated Anodyne CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000000426816 EG Annotated Anodyne CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000000426817 EG Annotated Anodyne CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000000426818 EG Annotated Anodyne CCc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000000427017 EG Annotated Anodyne CCc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000000427018 EG Annotated Anodyne CC[C@H]1CCCCN1C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000427123 EG Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000427124 EG Annotated Anodyne Cc1ccc(S(=O)(=O)C2(C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000000427137 EG Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000000427217 EG Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000000427218 EG Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000000427219 EG Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000000427220 EG Annotated Anodyne Cc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 ZINC000000427316 EG Annotated Anodyne COc1ccc2nc3sc(C(=O)NC[C@H]4CCCO4)cc3cc2c1 ZINC000000428362 EG Annotated Anodyne COc1ccc2nc3sc(C(=O)NC[C@@H]4CCCO4)cc3cc2c1 ZINC000000428363 EG Annotated Anodyne COc1cccc(-c2nn(C)c3sc(C(=O)NC(C)C)cc23)c1 ZINC000000429609 EG Annotated Anodyne CN(C(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C)C1CCCCC1 ZINC000000429719 EG Annotated Anodyne Cc1cc(N2CCOCC2)c2c(N)c(Br)cc(C)c2n1 ZINC000000441885 EG Annotated Anodyne NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000442124 EG Annotated Anodyne Fc1ccccc1COc1cccc(C(=S)N2CCOCC2)c1 ZINC000000470013 EG Annotated Anodyne O=c1[nH]nc2c3cc([N+](=O)[O-])c(Cl)cc3n3c(c1-2)CCCCC3 ZINC000000478645 EG Annotated Bother C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)o1 ZINC000000484807 EG Annotated Reactive Cc1ccccc1N1CC2=C(C1=O)[C@@H](c1ccccc1)N=C(O)N2C ZINC000000494076 EG Annotated Anodyne Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3F)c2n1 ZINC000001003222 EG Annotated Anodyne Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2c1 ZINC000001008012 EG Annotated Reactive Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] ZINC000001008035 EG Annotated Reactive N#CC1=C2S[C@H]3CCCC[C@]3(O)N2C(=O)[C@H](C#N)C12CCCCC2 ZINC000001087508 EG Annotated Reactive Fc1cccc(Cl)c1/C=N\n1c(S)nnc1-c1cccnc1 ZINC000001296321 EG Annotated Mild Cc1cc(C)c2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1 ZINC000001342946 EG Annotated Anodyne CCNC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC3)CCCCC1 ZINC000001344810 EG Annotated Anodyne CC(C)[C@@H]1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O ZINC000001361991 EG Annotated Anodyne CC(C)[C@H]1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O ZINC000001361994 EG Annotated Anodyne O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1cccs1 ZINC000001364989 EG Annotated Anodyne COc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O ZINC000001364996 EG Annotated Anodyne CC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCC1 ZINC000001367379 EG Annotated Anodyne CC(C)CNC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1 ZINC000001377711 EG Annotated Anodyne Nc1c(-c2nc3ccccc3[nH]2)nnn1-c1ccc(F)c(Cl)c1 ZINC000001430267 EG Annotated Anodyne COC(=O)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000001440440 EG Annotated Anodyne [O-][n+]1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2c1 ZINC000001492405 EG Annotated Anodyne [O-][n+]1ccc2c(c1)ncn2CCOc1ccc(Cc2ccccc2)cc1 ZINC000001492406 EG Annotated Anodyne O=c1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2[nH]1 ZINC000001492407 EG Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@]1(C)c1cccnc1 ZINC000100016132 EG Annotated Anodyne O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1cccc(O)c12 ZINC000100018328 EG Annotated Anodyne O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1c(O)cccc12 ZINC000100018371 EG Annotated Anodyne COc1ccccc1NC(=O)C1=C(O)CCn2c1nc1ccccc12 ZINC000100025083 EG Annotated Anodyne CN(C)c1ccccc1NC(=O)C1=C(O)CCn2c1nc1ccccc12 ZINC000100040022 EG Annotated Anodyne CN(C)c1ccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)cc1 ZINC000100040042 EG Annotated Anodyne CN(C)c1cccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)c1 ZINC000100040131 EG Annotated Anodyne O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000100041490 EG Annotated Anodyne O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000100041493 EG Annotated Anodyne [123I]c1ccc(COCCCc2cnc[nH]2)cc1 ZINC000100057996 EG Annotated Anodyne in-vitro CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@H]2OC3=O ZINC000100065236 EG Annotated Clean in-man endogenous CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@H]2OC3=O ZINC000100065237 EG Annotated Clean in-man endogenous CC(C)=CCc1cccc2[nH]cc(C[C@@H]3NC(=O)/C(=C(/C)O)C3=O)c12 ZINC000100066666 EG Annotated Mild in-vitro O=c1cc(CBr)c2cc3c4c(c2o1)CCCN4CCC3 ZINC000100080075 EG Annotated Reactive in-vitro FC(F)(F)CN1C[C@@H]2[C@@H](c3ccccc3)[C@H](C1)N2CC(F)(F)F ZINC000100083040 EG Annotated Anodyne CN1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100084302 EG Annotated Anodyne CN1[C@H]2CN(CC(F)(F)F)C[C@H]1C2c1ccc(Br)cc1 ZINC000100085015 EG Annotated Anodyne CN1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100085017 EG Annotated Anodyne CN1[C@@H]2CN(CC(F)(F)F)C[C@@H]1C2c1ccc(Br)cc1 ZINC000100085018 EG Annotated Anodyne C[C@@H](CC(=O)Oc1cn(Cc2ccccc2)c2occ(O)c12)C(=O)O ZINC000100087383 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@H]3C[C@H]12 ZINC000100089887 EG Annotated Mild in-vitro CC(C)NC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100092758 EG Annotated Anodyne CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100096208 EG Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100096658 EG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)C4CC4)C[C@@H]2N3)cc1 ZINC000100101612 EG Annotated Anodyne O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 ZINC000100101709 EG Annotated Anodyne O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 ZINC000100101739 EG Annotated Anodyne c1cncc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cccnc3)cc2)c1 ZINC000100101817 EG Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)C4CC4)C[C@@H]2N3)cc1 ZINC000100104881 EG Annotated Anodyne CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100106035 EG Annotated Anodyne c1ccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccncc3)cc2)nc1 ZINC000100106540 EG Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100106614 EG Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100106615 EG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1 ZINC000100106839 EG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1 ZINC000100106844 EG Annotated Anodyne c1cncc(-c2ccc([C@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)c1 ZINC000100107028 EG Annotated Anodyne c1cncc(-c2ccc([C@@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)c1 ZINC000100107030 EG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2ccc3c(c2)OCO3)cc1 ZINC000100107492 EG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccc3c(c2)OCO3)cc1 ZINC000100107496 EG Annotated Anodyne c1ccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccnc3)cc2)nc1 ZINC000100107918 EG Annotated Anodyne O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100108227 EG Annotated Anodyne O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100108231 EG Annotated Anodyne c1cc(-c2ccc([C@@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)ccn1 ZINC000100109148 EG Annotated Anodyne c1cc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)ccn1 ZINC000100114367 EG Annotated Anodyne c1cc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)ccn1 ZINC000100114553 EG Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000100191639 EG Annotated Mild in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000100198725 EG Annotated Mild in-vitro CCOC(=O)c1c(/C(C#N)=C/N)c2ccc(Cl)c(Cl)c2n1C ZINC000100207789 EG Annotated Reactive Cc1cc(O)c2c(O)c(O)c(O)c3c2c1C1=C(C3=O)C(C)(C)[C@@H](C)O1 ZINC000100236467 EG Annotated Mild in-vitro CCOC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(OC)cc1 ZINC000100249970 EG Annotated Clean COc1ccc([C@H]2C[C@H]3C(Br)=C[C@H]2C(=O)[C@]32CO2)cc1 ZINC000100264566 EG Annotated Anodyne C/C(=C/C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(N)cc1 ZINC000100291671 EG Annotated Mild CN(c1ccc(C(=O)O)cc1)c1cccc2nc3c(=O)cccc-3[nH]c12 ZINC000100302723 EG Annotated Bother in-vitro NC(=O)N1C(=O)/C(=C(/O)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000100377826 EG Annotated Anodyne in-man CCOC(=O)/C(C(=O)c1ccccc1)=C(\N)C(Cl)(Cl)Cl ZINC000100394226 EG Annotated Mild Cc1nc(C2=C(C(F)(F)F)ON/C2=C2/C=CC(=O)C=C2O)cs1 ZINC000100429601 EG Annotated Mild CC1=CC(=O)C=C(O)/C1=C1/ONC(C(F)(F)F)=C1c1cscn1 ZINC000100429782 EG Annotated Mild C/N=C(\c1ccco1)n1c(=S)nc(-c2ccco2)n(C)c1=S ZINC000100436563 EG Annotated Mild CC(C)/N=c1\scc(-c2ccco2)n1N/C=C1/C=CC(=O)C(O)=C1 ZINC000100453099 EG Annotated Mild O=C1C=CC(/C=N\N/C(=C(\O)c2ccccc2)c2ccccc2)=CC1=O ZINC000100476879 EG Annotated Mild O=C1C=CC(/C=N/N/C(=C(\O)c2ccccc2)c2ccccc2)=CC1=O ZINC000100476883 EG Annotated Mild C/C(NN1C(=O)c2ccccc2N[C@H]1c1ccco1)=C1/C=CC=CC1=O ZINC000100483182 EG Annotated Mild C/C(NN1C(=O)c2ccccc2N[C@@H]1c1ccco1)=C1/C=CC=CC1=O ZINC000100483187 EG Annotated Mild O=C1C=CC=C/C1=C\NC1=NN(c2cccc(C(F)(F)F)c2)CC1 ZINC000100486152 EG Annotated Mild O=C1C=CC(Cl)=C/C1=C1\C=C(c2cccc(Br)c2)NN1 ZINC000100490185 EG Annotated Mild COC1=CC=C/C(=C2\N=C(NC3CCCC3)c3ccccc3N2)C1=O ZINC000100493438 EG Annotated Mild Cc1cc(=O)c(C(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)c(O)o1 ZINC000100496699 EG Annotated Mild COC1=C/C(=C/c2c(-c3ccc(Cl)cc3)[nH]oc2=O)C=CC1=O ZINC000100509955 EG Annotated Mild COC1=C/C(=C/c2c(-c3ccccc3)[nH]oc2=O)C=C(Cl)C1=O ZINC000100510586 EG Annotated Mild COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(C)cc1 ZINC000100515714 EG Annotated Clean NC(=O)N1C(=O)/C(=C(\O)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000100522111 EG Annotated Anodyne in-man CC1=C/C(=C2/C=C(c3cccc(Br)c3)NN2)C(=O)C=C1 ZINC000100527517 EG Annotated Mild Cc1cccc(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccco2)c1 ZINC000100548121 EG Annotated Anodyne CC1=C(c2ccc(Br)cc2)/C(=C2\C=CC(=O)C=C2O)NN1 ZINC000100560216 EG Annotated Mild CCC1=C/C(=C2\NNC(C)=C2c2nc3ccccc3n2C)C(=O)C=C1O ZINC000100567430 EG Annotated Mild CCN(CC)c1ccc(/C=C/C2=N/C(=C3/C=CC=CC3=O)ON2)cc1 ZINC000100573835 EG Annotated Mild Cc1nc(C2=C(C(F)(F)F)NO/C2=C2/C=CC(=O)C=C2O)cs1 ZINC000100590892 EG Annotated Mild Cc1[nH]n(-c2cccc(Cl)c2)c2nc(C(F)(F)F)nc(=O)c1-2 ZINC000100592050 EG Annotated Anodyne Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100621244 EG Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(CO)ccc3C[C@@H]21 ZINC000100621261 EG Annotated Anodyne Nc1cc2c(cc1O)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621315 EG Annotated Anodyne O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1cc(F)cc(F)c1F ZINC000100625824 EG Annotated Anodyne COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 ZINC000100654040 EG Annotated Anodyne COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 ZINC000100654044 EG Annotated Anodyne COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 ZINC000100654048 EG Annotated Anodyne COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1 ZINC000100654054 EG Annotated Anodyne O=C(Nc1ccc(F)cc1F)[C@@H]1C(=O)N2CCCc3cc(F)cc1c32 ZINC000100658331 EG Annotated Anodyne Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Cc4cccc2c43)no1 ZINC000100658638 EG Annotated Anodyne CCOC(=O)C(=O)/C=C/C(SCc1ccccc1)=C(\O)OCC ZINC000100661384 EG Annotated Mild Clc1cc(/N=N/N2CCCC2)cc(Cl)c1NC1=NCCN1 ZINC000100688216 EG Annotated Clean COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(O)nc(O)c32)cc1 ZINC000100703044 EG Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(O)nc(O)c32)cc1 ZINC000100703046 EG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccccc1Cl ZINC000100704144 EG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccccc1Cl ZINC000100704145 EG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000100704149 EG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccc(Cl)cc1 ZINC000100704151 EG Annotated Anodyne C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1cccs1 ZINC000100707992 EG Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1cccs1 ZINC000100707994 EG Annotated Mild O=C1CC(=O)C([N+]2=CCc3ccccc32)=C1n1ccc2ccccc21 ZINC000100724567 EG Annotated Mild O=S(=O)(OC1=C(c2cccc3c2NCC3)CCC1)C(F)(F)F ZINC000100724797 EG Annotated Unstable O=S(=O)(OC1=CCC[C@H]1c1cccc2c1NCC2)C(F)(F)F ZINC000100724804 EG Annotated Unstable O=S(=O)(OC1=CCC[C@@H]1c1cccc2c1NCC2)C(F)(F)F ZINC000100724806 EG Annotated Unstable Cn1nc[n+]2c1[C@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100726780 EG Annotated Anodyne Cn1nc[n+]2c1[C@@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100726789 EG Annotated Anodyne CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3ccn(C)c32)C1(C)C ZINC000100726805 EG Annotated Anodyne CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3ccn(C)c32)C1(C)C ZINC000100726806 EG Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3cocn3)(c3cocn3)[C@@H]2c2cccc[n+]21 ZINC000100729170 EG Annotated Anodyne c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1cocn1)c1cocn1 ZINC000100729180 EG Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC[C@H]3C(=O)O)[C@@H]2CC/C(C)=C/CC1 ZINC000100734922 EG Annotated Anodyne in-vitro biogenic CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\[C@@H]1CCc2ccccc2C1 ZINC000100756582 EG Annotated Mild CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\[C@H]1CCc2ccccc2C1 ZINC000100756584 EG Annotated Mild CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1ccnc2ccccc12 ZINC000100756723 EG Annotated Mild CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1c(O)ccc2ccccc12 ZINC000100756909 EG Annotated Mild C[C@@H]1CC[C@@](C)(/N=N\c2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000100761410 EG Annotated Clean C[C@H]1CC[C@@](C)(/N=N\c2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000100761412 EG Annotated Clean CN(C)/C=N/c1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 ZINC000100768761 EG Annotated Mild CN1CC[C@@]23c4ccccc4N[C@H]1[C@]21CCN(C)[C@H]3Nc2ccccc21 ZINC000100771932 EG Annotated Anodyne in-man endogenous CN1CC[C@@]23c4ccccc4N[C@H]1[C@@]21CCN(C)[C@H]3Nc2ccccc21 ZINC000100771937 EG Annotated Anodyne in-man endogenous C/C=C1\[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13 ZINC000100773285 EG Annotated Anodyne in-man endogenous C/C=C1\[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@H]13 ZINC000100773286 EG Annotated Anodyne in-man endogenous C/C=C1/[C@@H]2N3CC[C@@H]1C[C@H]1N(C(C)=O)c4c(OC)cccc4[C@@]21CC3 ZINC000100773288 EG Annotated Anodyne in-man endogenous C/C=C1/[C@@H]2N3CC[C@@H]1C[C@@H]1N(C(C)=O)c4c(OC)cccc4[C@@]21CC3 ZINC000100773290 EG Annotated Anodyne in-man endogenous CC[C@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13 ZINC000100773291 EG Annotated Anodyne in-man endogenous CC[C@@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13 ZINC000100773293 EG Annotated Anodyne in-man endogenous CC[C@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000100773294 EG Annotated Anodyne in-man endogenous CC[C@@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000100773296 EG Annotated Anodyne in-man endogenous COc1ccc([C@@H]2Nc3cc(OC)c(OC)cc3C(C)=[N+]2[O-])cc1 ZINC000100773829 EG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@]21C ZINC000100776782 EG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@]21C ZINC000100776783 EG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@]21C ZINC000100776789 EG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@]21C ZINC000100776791 EG Annotated Anodyne in-man endogenous CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3=O ZINC000100780315 EG Annotated Clean in-man endogenous CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@@H]2OC3=O ZINC000100780317 EG Annotated Clean in-man endogenous C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000100780429 EG Annotated Mild in-man endogenous C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000100780431 EG Annotated Mild in-man endogenous C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000100780433 EG Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781433 EG Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781435 EG Annotated Mild in-man endogenous CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@@H]3C(C)(C)CCC[C@@]23C(=O)O1 ZINC000100783621 EG Annotated Mild in-man endogenous CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@@H]3C(C)(C)CCC[C@@]23C(=O)O1 ZINC000100783622 EG Annotated Mild in-man endogenous CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1 ZINC000100783623 EG Annotated Mild in-man endogenous CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1 ZINC000100783624 EG Annotated Mild in-man endogenous CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2N ZINC000100784160 EG Annotated Clean in-man CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2N ZINC000100784162 EG Annotated Clean in-man O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1cnccc12 ZINC000100790441 EG Annotated Anodyne CN(C)/C(CC(C)(C)C)=N/C(=N/c1ccccc1)N1CCOCC1 ZINC000100792750 EG Annotated Mild CN(C)/C(=N/C(=N/c1ccccc1)N1CCOCC1)c1ccccc1 ZINC000100794378 EG Annotated Mild CCOC(=O)c1[nH]cc2nc3cc(OC)c(OC)cc3c-2c1CC ZINC000100806155 EG Annotated Anodyne CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1O ZINC000100807897 EG Annotated Clean CN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1 ZINC000100817496 EG Annotated Anodyne CCN(C(=O)c1c(O)c2c(F)cccc2n(C)c1=O)c1ccccc1 ZINC000100819327 EG Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000100827238 EG Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@H](C)[C@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000100827239 EG Annotated Anodyne O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1ncccc12 ZINC000100830430 EG Annotated Anodyne CCCCCC1=C(N2CC2)C(=O)C(CCCCC)=C(N2CC2)C1=O ZINC000100836279 EG Annotated Mild CC1(C)CC(=O)C(C2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)C1 ZINC000100836884 EG Annotated Mild CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@@H]2CC[C@H]3CCCC[C@@]13OO2 ZINC000100860125 EG Annotated Reactive CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@H]2CC[C@H]3CCCC[C@]13OO2 ZINC000100860126 EG Annotated Reactive CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@@H]1O4 ZINC000100863907 EG Annotated Reactive CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@H]1O4 ZINC000100863909 EG Annotated Reactive Cc1cc2c(c(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c1)OC(C)(C)C2 ZINC000100868743 EG Annotated Anodyne Cc1cc2c(c(C(=O)NC3C[C@H]4CC[C@H](C3)N4C)c1)OC(C)(C)C2 ZINC000100868744 EG Annotated Anodyne COc1cccc([C@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCO4)c1 ZINC000100869337 EG Annotated Anodyne COc1cccc([C@@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCO4)c1 ZINC000100869340 EG Annotated Anodyne CN1[C@H]2CC[C@H]1CC(NC(=O)c1c(Cl)ccc3c1OC(C)(C)C3)C2 ZINC000100870339 EG Annotated Anodyne CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1c(Cl)ccc3c1OC(C)(C)C3)C2 ZINC000100870342 EG Annotated Anodyne C=C1ON=C2N1C(C)=CS[C@]2(O)c1ccc(Br)cc1 ZINC000100887082 EG Annotated Anodyne C=C1ON=C2N1C(C)=CS[C@@]2(O)c1ccc(Br)cc1 ZINC000100887084 EG Annotated Anodyne O=C(O)Cc1cccc2c(=O)c3c(oc12)-c1ccccc1NC(=O)N3 ZINC000100898784 EG Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000100899519 EG Annotated Mild in-vitro CC(=O)O[C@H]1C/C(C)=C/CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000100899678 EG Annotated Anodyne in-vitro N=C(N)SCCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)CC2)CC1 ZINC000100899942 EG Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)CO[C@H](CC(=O)O)CO1 ZINC000100907296 EG Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)CO[C@H](CC(=O)O)CO1 ZINC000100907300 EG Annotated Anodyne CCN1/C(=C\C=C2\C(=O)N(C)C(=S)N2C)Sc2ccccc21 ZINC000100910438 EG Annotated Anodyne CO[C@]12CCC[C@@H](C1)[C@@H](I)C(C)(C)OO2 ZINC000100921511 EG Annotated Reactive CO[C@]12CCC[C@@H](C1)[C@H](I)C(C)(C)OO2 ZINC000100921513 EG Annotated Reactive CO[C@]12CCC[C@@H](C1)C[C@](C)(CI)OO2 ZINC000100921640 EG Annotated Reactive CO[C@@]12CCC[C@H](C[C@@](C)(CI)OO1)C2 ZINC000100921642 EG Annotated Reactive CONc1nc2oc3ccc(C(C)C)cc3c(=O)c2cc1C(=O)O ZINC000100942082 EG Annotated Bother CN(C)CCCN(C1=CC(=O)C(=O)c2ccccc21)c1ccccc1 ZINC000100949975 EG Annotated Mild N[P@@](=O)(OCc1ccc(F)cc1F)N(CCCl)CCCl ZINC000100950141 EG Annotated Reactive CC[C@@]12CCN(CC3CC3)[C@H](C(=O)c3ccc(NC=O)cc31)[C@@H]2C ZINC000100952842 EG Annotated Anodyne COC(=O)c1ccc(C(=O)[C@H]2C(=S)N(C)c3ccccc32)cc1 ZINC000100957568 EG Annotated Anodyne CCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000100971684 EG Annotated Anodyne CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@@H](CC)C(=O)N1CC1CC1 ZINC000100971740 EG Annotated Clean CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@H](CC)C(=O)N1CC1CC1 ZINC000100971747 EG Annotated Clean CC[C@H]1C(=O)N(CC2CC2)c2sc3cc(C)c(C)cc3[n+]2C1=O ZINC000100974883 EG Annotated Clean CC[C@@H]1C(=O)N(CC2CC2)c2sc3cc(C)c(C)cc3[n+]2C1=O ZINC000100974888 EG Annotated Clean O=C(NCc1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000100979056 EG Annotated Anodyne O=C(NCc1ccccc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 ZINC000100979063 EG Annotated Anodyne CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@H]2Cc1ccc(CO)cc1 ZINC000100999801 EG Annotated Reactive CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(CO)cc1 ZINC000100999802 EG Annotated Reactive CN1C(c2c[nH]c3ccccc23)=C(O)c2ccccc2S1(=O)=O ZINC000101002632 EG Annotated Anodyne CCO/C(O)=C1/C(=O)CC2=C(C(=O)OC2)[C@H]1c1ccccc1Cl ZINC000101007600 EG Annotated Mild CCO/C(O)=C1/C(=O)CC2=C(C(=O)OC2)[C@@H]1c1ccccc1Cl ZINC000101007603 EG Annotated Mild O=S(=O)(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1ccccc1F ZINC000101012434 EG Annotated Anodyne O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1ccccc1F ZINC000101012438 EG Annotated Anodyne O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1cccs1 ZINC000101012454 EG Annotated Anodyne CC(C)(C)CC/N=c1/c(-c2ccc(Br)cc2)c(O)c1=O ZINC000101022971 EG Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000101027469 EG Annotated Bother O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000101027471 EG Annotated Bother Cc1cccc(S(=O)(=O)NC2[C@@H]3CC[C@@H]2Cc2ccccc2C3)c1 ZINC000101027575 EG Annotated Anodyne Cc1cccc(S(=O)(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)c1 ZINC000101027577 EG Annotated Anodyne COc1ccc(-c2[nH]nc3nnc(N)c-3c2-c2ccc(OC)cc2)cc1 ZINC000101030927 EG Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)/C1=C/C=C1\C=COC1=O ZINC000101042310 EG Annotated Mild C=CCNC(=O)[C@]12C[C@]1(CCCC)c1cc(Cl)ccc1NC2=O ZINC000101052137 EG Annotated Mild C=CCNC(=O)[C@@]12C[C@@]1(CCCC)c1cc(Cl)ccc1NC2=O ZINC000101052140 EG Annotated Mild C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC(O)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000101056449 EG Annotated Anodyne O=c1c2ccccc2c(=O)c2c1c(O)cc1[nH]c3ccccc3[nH]c12 ZINC000101100279 EG Annotated Clean in-vivo CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCNCC1 ZINC000101109539 EG Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=[N+](/C)[O-] ZINC000101122682 EG Annotated Mild COc1c(C)c(O)c(C(=O)/C=C(\O)c2ccccc2)c(O)c1C=O ZINC000101135071 EG Annotated Mild in-vitro biogenic O=S(=O)(N[C@@H]1[C@@H]2CCCC[C@]1(CO)CC2)c1ccc(Cl)s1 ZINC000101140237 EG Annotated Anodyne O=S(=O)(N[C@H]1[C@@H]2CCCC[C@]1(CO)CC2)c1ccc(Cl)s1 ZINC000101140242 EG Annotated Anodyne C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101141935 EG Annotated Anodyne C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101141941 EG Annotated Anodyne CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1cnc2ccccc2c1 ZINC000101157304 EG Annotated Mild COc1c(C)c(O)c(/C(O)=C/C(=O)c2ccccc2)c(O)c1C=O ZINC000101226052 EG Annotated Mild CCCCc1c(O)c2cccnc2n(-c2ccc([C@@H](C)O)cc2)c1=O ZINC000101239034 EG Annotated Anodyne CCCCc1c(O)c2cccnc2n(-c2ccc([C@H](C)O)cc2)c1=O ZINC000101239038 EG Annotated Anodyne CCN(C(=O)c1c(O)c2c(C)cccc2n(C)c1=O)c1ccccc1 ZINC000101245235 EG Annotated Anodyne Cc1ccc2c(c1)C(=O)/C(=C(\S)N(C)c1ccccc1)C(=O)N2C ZINC000101253037 EG Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000101268608 EG Annotated Reactive CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101270505 EG Annotated Mild CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101270508 EG Annotated Mild CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101270510 EG Annotated Mild CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101270513 EG Annotated Mild CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H]1O4 ZINC000101274606 EG Annotated Reactive CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H]1O4 ZINC000101274608 EG Annotated Reactive Cc1cncn1CCCN/C(=C\[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000101285205 EG Annotated Anodyne CC[C@H]1C(=O)N(CC2CC2)c2scc(-c3ccccc3)[n+]2C1=O ZINC000101330679 EG Annotated Clean CC[C@@H]1C(=O)N(CC2CC2)c2scc(-c3ccccc3)[n+]2C1=O ZINC000101330682 EG Annotated Clean CC[C@H]1C(=O)N(CC2CCCC2)c2sc3ccccc3[n+]2C1=O ZINC000101348947 EG Annotated Clean CC[C@@H]1C(=O)N(CC2CCCC2)c2sc3ccccc3[n+]2C1=O ZINC000101348951 EG Annotated Clean CSc1ccc2c(c1)c(O)c(C(=O)c1ccccc1)c(=O)n2C ZINC000101349014 EG Annotated Anodyne c1ccc2c3cc[nH]c(N4CCN(N5CCCCC5)CC4)c-3nc2c1 ZINC000101354032 EG Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCO)[C@@]13C(=O)O ZINC000101354837 EG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCO)[C@@]13C(=O)O ZINC000101354840 EG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O ZINC000101354845 EG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O ZINC000101354850 EG Annotated Mild C/C1=C\CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1 ZINC000101368947 EG Annotated Anodyne N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(-c2ncccc2C#N)c1 ZINC000101387118 EG Annotated Mild N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(-c2ccccc2C#N)c1 ZINC000101387239 EG Annotated Mild C/C1=C\CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1 ZINC000101391139 EG Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC(CO)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000101402976 EG Annotated Anodyne O=c1cc(CCl)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12 ZINC000101404844 EG Annotated Reactive COC1=C(C)C(=O)/C(=C(O)/C=C/c2ccc(O)cc2)C(=O)C1(C)C ZINC000101409653 EG Annotated Mild Cc1ccc(NC2=NC(=O)/C(=C3\C(=O)Nc4ccccc43)S2)cc1 ZINC000101416754 EG Annotated Clean CSc1nn(-c2ccccc2)c2cc(N3C[C@@H]4C[C@@H]3CN4)ccc12 ZINC000101430173 EG Annotated Anodyne CN=[S@](C)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 ZINC000101432423 EG Annotated Anodyne CCCCC(=O)NS(=O)(=O)c1ccc(/N=N\N(CC)CC)cc1 ZINC000101448542 EG Annotated Clean C/C(=N\c1ccc2c(c1)nc(CO)n2C)C1=C(O)CC(C)(C)CC1=O ZINC000101466565 EG Annotated Mild O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H](C3)N1 ZINC000101471527 EG Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C3)N1 ZINC000101471535 EG Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Cl)cc1Cl ZINC000101480487 EG Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Cl)cc1Cl ZINC000101480489 EG Annotated Anodyne C[C@@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1 ZINC000101487190 EG Annotated Mild C[C@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1 ZINC000101487192 EG Annotated Mild CSc1ccc2c(c1)c(O)c(C(=O)Nc1ccccc1)c(=O)n2C ZINC000101491759 EG Annotated Anodyne C#CCn1c(O)c(/N=N/C(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000101492468 EG Annotated Mild C#CCn1c(O)c(/N=N/C(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000101492470 EG Annotated Mild CC/C(=N\c1ccc(N)cc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O ZINC000101500277 EG Annotated Mild CC/C(=N\c1ccc(N)cc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000101500278 EG Annotated Mild CC1=C2CC[C@H](C)[C@]23C(=O)O[C@@H]1[C@]12C(=O)O[C@@H]3C(C)=C1CC[C@@H]2C ZINC000101502396 EG Annotated Anodyne O=C1OC2(CCCCC2)OC(O)=C1/C=N/c1ccc2c(c1)OCO2 ZINC000101505632 EG Annotated Mild CCOC(=O)C/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1 ZINC000101506352 EG Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 ZINC000101506686 EG Annotated Mild CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1 ZINC000101514081 EG Annotated Anodyne CSC1=NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1 ZINC000101514094 EG Annotated Anodyne CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1 ZINC000101514099 EG Annotated Anodyne C/C1=C\C=C(\[C@@](C)(O)CO)CC(=O)/C(C)=C/CC[C@]2(C)O[C@H]2CC1 ZINC000101533784 EG Annotated Mild C=C1CC[C@@H]2CCC3=C([C@@H](C[C@]4(C)O[C@H]4[C@@H](O)C1)OC3=O)C2(C)C ZINC000101535983 EG Annotated Mild CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1NCc1ccccc1 ZINC000101550726 EG Annotated Mild CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1NCc1ccccc1 ZINC000101550731 EG Annotated Mild N[C@@H]1CC[C@@H](Nc2cc(NCc3ccccc3)n3nccc3n2)CC1 ZINC000101556719 EG Annotated Anodyne CC1=C2CC[C@H](C)[C@]23C(=O)O[C@@H]1[C@]12C(=O)O[C@@H]3C(C)=C1CC[C@H]2C ZINC000101565846 EG Annotated Anodyne Cn1c(O)c(/N=N/C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 ZINC000101571309 EG Annotated Clean Cn1c(O)c(/N=N/C(=O)[C@H]2COc3ccccc3O2)c2ccccc21 ZINC000101571313 EG Annotated Clean C=C1CC[C@@](C)(C=O)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12 ZINC000101572266 EG Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12 ZINC000101576078 EG Annotated Mild COc1ccccc1/C=C/C=N/[C@@H]1C(=O)N(c2ccccc2)[N+](C)=C1C ZINC000101584395 EG Annotated Mild C/C(=N\O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2 ZINC000101588770 EG Annotated Mild Cc1nc(N)sc1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000101602022 EG Annotated Clean CCCCN/C=C1/C=C(C=O)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000101608893 EG Annotated Reactive CC1=Nc2ncnn2[C@H](c2cccnc2)/C1=C(\O)OCc1ccccc1 ZINC000101618603 EG Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cccnc2)/C1=C(\O)OCc1ccccc1 ZINC000101618607 EG Annotated Anodyne CC1=Nc2ncnn2[C@H](c2cccnc2)/C1=C(\O)OC1CCCCC1 ZINC000101626984 EG Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cccnc2)/C1=C(\O)OC1CCCCC1 ZINC000101626987 EG Annotated Anodyne O=C(NNc1cccc2ncccc12)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000101627089 EG Annotated Reactive O=C(NNc1cccc2ncccc12)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000101627097 EG Annotated Reactive CCOC(=O)c1cc2c(oc1=O)-c1cn(Cc3ccccc3)cc1CC2 ZINC000101628994 EG Annotated Anodyne COC(=O)[C@H]1C(=O)C=C(NCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000101632572 EG Annotated Mild COC(=O)[C@@H]1C(=O)C=C(NCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000101632576 EG Annotated Mild COC(=O)[C@H]1C(=O)C=C(NCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000101632579 EG Annotated Mild COC(=O)[C@@H]1C(=O)C=C(NCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000101632582 EG Annotated Mild Cn1/c(=N/NC(=O)C(C)(C)C)sc2cc(OC(F)(F)F)ccc21 ZINC000101635531 EG Annotated Reactive CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C/c1ccccc1Cl ZINC000101637869 EG Annotated Mild CC(=O)/C(=C(\C)O)[C@@H]1c2ccccc2O[C@H](C(F)(F)F)[C@@H]1[N+](=O)[O-] ZINC000101640920 EG Annotated Mild C=C[C@@]1(C)CC[C@H]2C(C)(C)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O ZINC000101640934 EG Annotated Mild CC1(C)[C@H]2C[C@@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)/C(=N/O)C[C@H]21 ZINC000101645346 EG Annotated Mild CC1(C)[C@@H]2C/C(=N\O)[C@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000101645354 EG Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000101646793 EG Annotated Anodyne CC(C)=CN1Cc2c(Br)ccc3[nH]c(=O)n(c23)C[C@@H]1C ZINC000101647698 EG Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1 ZINC000101650459 EG Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1 ZINC000101650464 EG Annotated Clean Cc1ccc(C2OOC(c3ccc(/C=N\CCO)cc3)OO2)cc1 ZINC000101651518 EG Annotated Reactive C=C[C@]1(C)CC[C@H]2C(C)(C)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O ZINC000101652821 EG Annotated Mild CCCC1=Nc2ncnn2[C@H](c2ccc(O)cc2)/C1=C(\O)OCC ZINC000101657474 EG Annotated Anodyne CCCC1=Nc2ncnn2[C@@H](c2ccc(O)cc2)/C1=C(\O)OCC ZINC000101657478 EG Annotated Anodyne O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO ZINC000101666165 EG Annotated Bother O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO ZINC000101666169 EG Annotated Bother CC/C=C\C[C@H]1C(=O)C(I)=C[C@H]1CC(=O)OC ZINC000101674304 EG Annotated Mild CC/C=C\C[C@@H]1C(=O)C(I)=C[C@H]1CC(=O)OC ZINC000101674307 EG Annotated Mild CC/C=C\C[C@H]1C(=O)C(I)=C[C@@H]1CC(=O)OC ZINC000101674311 EG Annotated Mild CCOC(=O)c1cc2c(oc1=O)-c1cn(-c3ccccc3)cc1CC2 ZINC000101675873 EG Annotated Anodyne C[C@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O ZINC000101678222 EG Annotated Anodyne C[C@H]1CCC[C@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O ZINC000101678261 EG Annotated Anodyne C[C@@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O ZINC000101678264 EG Annotated Anodyne C[C@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O ZINC000101678281 EG Annotated Anodyne C[C@H]1CCC[C@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O ZINC000101678317 EG Annotated Anodyne C[C@@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O ZINC000101678319 EG Annotated Anodyne Cc1c(/N=N/C2=C(O)CCCC2=O)c(=O)n(-c2ccccc2)n1C ZINC000101679562 EG Annotated Mild CCOC(=O)c1c(O)c2cc(Cc3ccccc3)ccc2n(C)c1=O ZINC000101681034 EG Annotated Anodyne CO[C@]12C=C(Br)[C@@H](C[C@H]1c1cccc(C)c1)[C@]1(CO1)C2=O ZINC000101686233 EG Annotated Anodyne CO[C@]12C=C(Br)[C@@H](C[C@@H]1c1cccc(C)c1)[C@]1(CO1)C2=O ZINC000101686237 EG Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)OCC2=Nc2cc3c(cc21)OCO3 ZINC000101697378 EG Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)OCC2=Nc2cc3c(cc21)OCO3 ZINC000101697382 EG Annotated Anodyne CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21 ZINC000101698745 EG Annotated Clean C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C/CC[C@]2(C)O ZINC000101721401 EG Annotated Mild CCc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(C)=O)C2 ZINC000101723322 EG Annotated Anodyne CCc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(C)=O)C2 ZINC000101723327 EG Annotated Anodyne N/C(=N\c1ccc(C(=O)O)cc1)N1Cc2cccc3c2[C@@H](CCC3)C1 ZINC000101745407 EG Annotated Mild N/C(=N\c1ccc(C(=O)O)cc1)N1Cc2cccc3c2[C@H](CCC3)C1 ZINC000101745411 EG Annotated Mild O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000101752103 EG Annotated Anodyne O=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000101752115 EG Annotated Clean Cc1sc2c(c1C)C(O)=C(/C=N/c1ccncc1)S(=O)(=O)N2C ZINC000101754191 EG Annotated Mild COC(=O)Cc1nn(-c2ccccc2)c(O)c1/C(C)=N/c1ccccc1 ZINC000101756771 EG Annotated Mild CC[C@]1(C)Cc2c(c(S)n(-c3ccccc3)c(=N)c2C#N)CO1 ZINC000101764433 EG Annotated Mild CC[C@@]1(C)Cc2c(c(S)n(-c3ccccc3)c(=N)c2C#N)CO1 ZINC000101764438 EG Annotated Mild COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000101779458 EG Annotated Anodyne COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000101779461 EG Annotated Anodyne COc1ccc(OC)c2c1C[C@H]1NC[C@H]2c2c(OC)ccc(OC)c21 ZINC000101782866 EG Annotated Anodyne COc1ccc(OC)c2c1C[C@@H]1NC[C@@H]2c2c(OC)ccc(OC)c21 ZINC000101782872 EG Annotated Anodyne Cc1ccccc1NC1=C(Cl)C(=O)O[C@H]1NC(=O)c1ccccc1 ZINC000101784930 EG Annotated Anodyne COc1cc2c(cc1OC)[S@](C)(=O)=NC(Nc1ccccc1)=N2 ZINC000101805913 EG Annotated Anodyne COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1OC ZINC000101826030 EG Annotated Anodyne COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1OC ZINC000101826035 EG Annotated Anodyne COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccccc1 ZINC000101833628 EG Annotated Clean C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12 ZINC000101851063 EG Annotated Mild CCCC1=Nc2nc(C)nn2[C@@H](c2cccnc2)/C1=C(\O)OCC ZINC000101863837 EG Annotated Anodyne CCCCOCCCn1cnc2c3ccc(OC)cc3nc-2c1O ZINC000101867491 EG Annotated Anodyne Cc1sc2c(c1C)C(O)=C(/C=N/c1ccccn1)S(=O)(=O)N2C ZINC000101869963 EG Annotated Mild CN1c2ccccc2C(O)=C(/C=N/c2ccc(F)cc2)S1(=O)=O ZINC000101870018 EG Annotated Mild Cc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)C(=O)CCC2 ZINC000101903436 EG Annotated Mild COc1cccc(/N=N/c2c(N)nn3c(O)c4c(nc23)CCCC4)c1 ZINC000101918351 EG Annotated Clean COc1ccc(OC)c(/N=C/C2=C(O)OC3(CCCCC3)OC2=O)c1 ZINC000101931886 EG Annotated Mild O=C(NCC/N=C/c1c(O)ccc2ccccc12)c1ccccc1O ZINC000101936332 EG Annotated Mild CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccccc1)=C(/O)OCC ZINC000101937051 EG Annotated Mild Cn1c(/C(C#N)=C(\O)c2ccc([N+](=O)[O-])s2)nc2ccccc21 ZINC000101943097 EG Annotated Reactive O=C1CCCC2=C1[C@H](c1ccccc1Cl)N=C(c1cnccn1)N2 ZINC000101944313 EG Annotated Mild Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc2[nH]c(O)nc2c1 ZINC000101944547 EG Annotated Mild Cc1cc(O)nc(SCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C#N ZINC000101952902 EG Annotated Mild Cc1cc(O)nc(SCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C#N ZINC000101952904 EG Annotated Mild Cc1cc(O)nc(SCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C#N ZINC000101952909 EG Annotated Mild Cc1cc(O)nc(SCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C#N ZINC000101952911 EG Annotated Mild Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@@H]1C21CC1 ZINC000101955398 EG Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@@H]1C21CC1 ZINC000101955402 EG Annotated Anodyne O=C(Cn1ccc(C(F)(F)F)n1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000101955450 EG Annotated Clean COc1ccc(/C(O)=C/C2=NC[C@@H]3c4ccccc4CCN3C2=O)cc1 ZINC000101962263 EG Annotated Anodyne COc1ccc(/C(O)=C/C2=NC[C@H]3c4ccccc4CCN3C2=O)cc1 ZINC000101962269 EG Annotated Anodyne C[C@@H]1[C@@H]2C[C@@]34COC(=O)C3=CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@@H]3O2 ZINC000101964806 EG Annotated Anodyne CCN1C=C[C@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@@H]21 ZINC000101979220 EG Annotated Mild CCN1C=C[C@@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@@H]21 ZINC000101979223 EG Annotated Mild O=C1OCC(Nc2ccccn2)=C1c1ccc(Br)cc1 ZINC000101994267 EG Annotated Anodyne COC1=C(OC)C2=C(CC1)CC1=[N+](CCC3=C1CC1=C(C3)OCO1)C2 ZINC000102015055 EG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCC[C@@H]1c1cnoc1C2 ZINC000102024882 EG Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](O)C2=O ZINC000102025589 EG Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](O)C2=O ZINC000102025591 EG Annotated Anodyne CC(C)[C@@]12/C=C/[C@@](C)(O)C/C=C/[C@](C)(O)CC/C=C(\CC1)C(=O)O2 ZINC000102064569 EG Annotated Anodyne O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)N1CCCCC1 ZINC000102169036 EG Annotated Anodyne CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000102185372 EG Annotated Anodyne N=c1c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2ncn1N ZINC000102260880 EG Annotated Anodyne COc1cc(NC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1 ZINC000102281492 EG Annotated Anodyne COc1cc(NC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1 ZINC000102281496 EG Annotated Anodyne O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\C(S)=N/C[C@@H]3CCCO3)c2c1 ZINC000102391063 EG Annotated Mild C#CCn1c(O)c(/N=N\C(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000102397268 EG Annotated Mild C#CCn1c(O)c(/N=N\C(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000102397271 EG Annotated Mild C[C@]1([C@H](O)CO)CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C/O)C(=O)CC[C@@H]32)C1 ZINC000102401034 EG Annotated Mild C[C@]1([C@@H](O)CO)CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C/O)C(=O)CC[C@@H]32)C1 ZINC000102401038 EG Annotated Mild CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C(C)(C)O)C=CC=C3CO ZINC000102401472 EG Annotated Anodyne CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C\c1ccccc1Cl ZINC000102403578 EG Annotated Mild CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C\c1ccccc1Cl ZINC000102403581 EG Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1/C=C/C1=C[C@H](O)OC1=O ZINC000102418582 EG Annotated Mild Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NC(C)(C)C)C=C3C=O ZINC000102418592 EG Annotated Reactive CC[C@@H](C)/N=C\c1c(NCc2ccco2)nc2c(C)cccn2c1=O ZINC000102481433 EG Annotated Mild CC[C@H](C)/N=C\c1c(NCc2ccco2)nc2c(C)cccn2c1=O ZINC000102481437 EG Annotated Mild COc1cccc([C@@H]2/C(=C(/O)OC(C)C)C(C)=Nc3ncnn32)c1 ZINC000102655047 EG Annotated Anodyne COc1cccc([C@H]2/C(=C(/O)OC(C)C)C(C)=Nc3ncnn32)c1 ZINC000102655053 EG Annotated Anodyne CCn1c(O)c(/N=N\C(=O)CNC(=O)c2ccco2)c2ccccc21 ZINC000102667589 EG Annotated Clean Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H](c5ccccc54)[C@H]3C2=O)cc1C ZINC000102683018 EG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CC(=O)[C@H](c5ccccc54)[C@H]3C2=O)cc1C ZINC000102683019 EG Annotated Anodyne COc1cccc(/N=N\c2c(N)nn3c(O)c4c(nc23)CCCC4)c1 ZINC000102725477 EG Annotated Clean CCOC(=O)c1ccc(/N=N\c2c(O)nc(O)c(C#N)c2C)cc1 ZINC000102738594 EG Annotated Mild COC(=O)c1ccccc1/N=C/C1=C(O)OC2(CCCCC2)OC1=O ZINC000102744823 EG Annotated Mild CCOC(=O)c1ccccc1/N=C/c1c(O)oc2ccccc2c1=O ZINC000102770606 EG Annotated Mild N=c1c2c3c(sc2nc(S)n1C(=O)c1ccccc1)CCCC3 ZINC000102782982 EG Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C ZINC000102806448 EG Annotated Mild CCOC[C@@H]1C(=O)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1 ZINC000102808788 EG Annotated Anodyne CCOC[C@H]1C(=O)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1 ZINC000102808791 EG Annotated Anodyne C=C1C(=O)[C@@]2(O)CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]13C2 ZINC000102812109 EG Annotated Mild COc1ccc2cc(/C=N\S(=O)(=O)c3ccc(C)cc3)n(C)c2c1 ZINC000102849279 EG Annotated Mild COc1cc(OC)c2c(c1)O[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2O1 ZINC000102853289 EG Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H]1Cc3cc(OC)c(OC)cc3[C@H]2O1 ZINC000102853293 EG Annotated Anodyne CN1CC[C@]23c4ccccc4N[C@@H]1[C@@]21CCN(C)[C@H]3Nc2ccccc21 ZINC000102876239 EG Annotated Anodyne COC(=O)[C@@]1(C)[C@@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000102880823 EG Annotated Anodyne CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/C[C@@H]1CCCO1 ZINC000102908993 EG Annotated Mild CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/C[C@H]1CCCO1 ZINC000102908997 EG Annotated Mild COc1cccc([C@]23CCC[C@@H](C2)NC[C@@H]3Br)c1OC ZINC000102918187 EG Annotated Reactive COc1cccc([C@@]23CCC[C@H](C2)NC[C@@H]3Br)c1OC ZINC000102918189 EG Annotated Reactive CSc1c(C#N)c(S)n(-c2ccc(Cl)cc2)c(=O)c1C#N ZINC000102919525 EG Annotated Mild CC(C)=CC(=O)[C@@H](O)/C(C)=C/CC[C@](C)(O)[C@H]1CCC(C)=CC1=O ZINC000102927812 EG Annotated Mild CC(C)=CC(=O)[C@H](O)/C(C)=C/CC[C@](C)(O)[C@@H]1CCC(C)=CC1=O ZINC000102927817 EG Annotated Mild Cn1c2c(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CC2 ZINC000102934880 EG Annotated Anodyne Cn1c2c(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CC2 ZINC000102934883 EG Annotated Anodyne Cn1c2c(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CC2 ZINC000102934885 EG Annotated Anodyne CCCCS(=O)(=O)Nc1ccc2c(c1)/C(=N\O)c1ccccc1-2 ZINC000102936423 EG Annotated Mild COc1ccc(Cl)cc1N/C=C1/C(=O)Oc2ccccc2C1=O ZINC000102938632 EG Annotated Mild N=c1c2sc3nc4ccccc4n3c2ncn1Cc1ccccc1 ZINC000102941778 EG Annotated Bother C=C1C(=O)O[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@]1(O)C3 ZINC000102951576 EG Annotated Mild O/N=C1\C/C(=N\O)c2c(Br)sc(Br)c21 ZINC000102954160 EG Annotated Mild CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O ZINC000102967526 EG Annotated Mild CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O ZINC000102967528 EG Annotated Mild CCC1=NC(N/N=C/c2ccccc2O)=N/C1=C\c1ccccc1O ZINC000102982150 EG Annotated Mild C=CC[C@H](C)CCC(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000102986674 EG Annotated Mild O=C(O)C1=C(Nc2ccc(Cl)cc2F)C(=O)c2ccccc2C1=O ZINC000102988740 EG Annotated Mild C[C@@]12CC[C@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2 ZINC000103020519 EG Annotated Reactive C[C@]12CC[C@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2 ZINC000103020521 EG Annotated Reactive C[C@]12CC[C@@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2 ZINC000103020522 EG Annotated Reactive COC(=O)CCN1CC[C@@H]2C[C@@H]1c1cc(N3CCCCC3)ccc12 ZINC000103058788 EG Annotated Anodyne O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](/C=C/c2ccccc2)N1 ZINC000103066399 EG Annotated Clean O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](/C=C/c2ccccc2)N1 ZINC000103066403 EG Annotated Clean Cc1ccc(Nc2nn3c(=O)c4c(C)c(C)sc4nc3[nH]2)cc1 ZINC000103089923 EG Annotated Anodyne C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O ZINC000103109277 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](C[C@H]4O[C@]412)[C@@]1(CO1)C3 ZINC000103109605 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](C[C@H]4O[C@]412)[C@]1(CO1)C3 ZINC000103109609 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@H]12)C[C@]4(O)CO ZINC000103109995 EG Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000103113551 EG Annotated Anodyne C[C@H]1CCCCN1C(=O)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000103113554 EG Annotated Anodyne O=C(Nc1ccncc1)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000103125646 EG Annotated Anodyne COc1ccc(SCNC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000103131091 EG Annotated Mild Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@H](C[C@@H](O)C2)C3)c1 ZINC000103136475 EG Annotated Anodyne C[C@H]1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144623 EG Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@H]1C3 ZINC000103144629 EG Annotated Mild C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OC)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144643 EG Annotated Mild CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@H]4C[C@@]1(ON4)O2)[C@H](C)C3=O ZINC000103146798 EG Annotated Anodyne CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccccn1 ZINC000103152114 EG Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccccn1 ZINC000103152117 EG Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cccnc1 ZINC000103152122 EG Annotated Clean O=C1C[C@@H]2CCC[C@@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000103153720 EG Annotated Bother O=C1C[C@@H]2CCC[C@@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000103153721 EG Annotated Bother N#Cc1c(-c2ccccc2)cc(=O)n2c1[nH]c1ccc(C(=O)O)cc12 ZINC000103159184 EG Annotated Mild O=C1C[C@@H]2CCCC[C@@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000103165837 EG Annotated Bother O=C1C[C@@H]2CCCC[C@@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000103165839 EG Annotated Bother O=C(c1ccccc1)C1(C(=O)c2ccccc2)SCC(O)CS1 ZINC000103166803 EG Annotated Anodyne CNC(=O)OC1CSC(C#N)(c2ccc(Cl)cc2)SC1 ZINC000103166817 EG Annotated Mild C#CC(C)(C)NC(=O)c1sc(C)nc1-c1ccc(OC)c(OC)c1 ZINC000103169072 EG Annotated Mild N#CC1(c2ccc(Cl)cc2)SCC(N2CCOCC2)CS1 ZINC000103169086 EG Annotated Mild CCCCn1c(N/N=C/c2cccc(O)c2)nc2ccccc2c1=O ZINC000103169972 EG Annotated Mild CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccccc1 ZINC000103171672 EG Annotated Mild CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccccc1 ZINC000103171674 EG Annotated Mild O=C(c1ccccc1)N(/N=C/c1ccccc1O)C(=O)c1ccncc1 ZINC000103171859 EG Annotated Reactive CCc1nnc2sc(-c3c[nH]nc3-c3ccc(Cl)cc3)nn12 ZINC000103175580 EG Annotated Anodyne CCCc1nnc2sc(-c3c[nH]nc3-c3ccc(F)cc3)nn12 ZINC000103175585 EG Annotated Anodyne CCCc1nnc2sc(-c3c[nH]nc3-c3ccc(OC)cc3)nn12 ZINC000103175588 EG Annotated Anodyne CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(C)cc1 ZINC000103176278 EG Annotated Mild CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(C)cc1 ZINC000103176280 EG Annotated Mild CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(F)cc1 ZINC000103176287 EG Annotated Mild CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(F)cc1 ZINC000103176289 EG Annotated Mild CC(=O)C[C@@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1C(C)C ZINC000103176721 EG Annotated Anodyne CC(=O)C[C@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1C(C)C ZINC000103176724 EG Annotated Anodyne CNC(=O)[C@@H](OCOC)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103177332 EG Annotated Anodyne CNC(=O)[C@H](OCOC)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103177334 EG Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(CC(C)C)nc2)c1Cl ZINC000103178321 EG Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)nc2)c1Cl ZINC000103178323 EG Annotated Anodyne CCc1nn(C)c(C(=O)NCc2cnccc2C(C)(C)C)c1Cl ZINC000103178326 EG Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N1Cc3cc([N+](=O)[O-])cc(C)c3N(C2)C1 ZINC000103179798 EG Annotated Bother C#CCc1c(Cl)cc(N/C=N/OCC(=O)OCC)cc1Cl ZINC000103180371 EG Annotated Mild Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)NC(C)C)c1 ZINC000103182953 EG Annotated Anodyne COCCOCON1C(=O)C(c2c(C)cc(C)cc2C)=C(O)C1(C)C ZINC000103183470 EG Annotated Anodyne Cn1nc2c(c1C(=O)NCc1ccc(CC(C)(C)C)cc1)CCC2 ZINC000103183787 EG Annotated Anodyne Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)F)s1 ZINC000103185198 EG Annotated Anodyne C=CCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)SCC ZINC000103186421 EG Annotated Reactive C[C@@H]1CC[C@H]2C(CN)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103187408 EG Annotated Reactive CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1c2c(nn1C)CCC2 ZINC000103187702 EG Annotated Anodyne CCN(C(=O)COc1onc(C(F)(F)F)c1C)c1ccccc1 ZINC000103187989 EG Annotated Anodyne Cc1ccccc1N(C)C(=O)COc1onc(C(F)(F)F)c1C ZINC000103188157 EG Annotated Anodyne Cc1cccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)c1 ZINC000103188258 EG Annotated Anodyne COc1ccccc1N(C)C(=O)COc1onc(C(F)(F)F)c1C ZINC000103189924 EG Annotated Anodyne Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1F ZINC000103189928 EG Annotated Anodyne Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1cccc(F)c1 ZINC000103190065 EG Annotated Anodyne Cc1ccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)cc1 ZINC000103190080 EG Annotated Anodyne CN(/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1 ZINC000103190147 EG Annotated Mild C/C(=C1/C(=O)N(CCCN(C)C)c2ccc(F)cc21)c1ccc[nH]1 ZINC000103190286 EG Annotated Anodyne CCc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1 ZINC000103191638 EG Annotated Anodyne COCCN(C(=O)CCl)C(=C(C)C)c1ccc(OC)c(OC)c1 ZINC000103191857 EG Annotated Reactive CCCCCCCCNC(=O)C1(C#N)SCC(N(C)C)CS1 ZINC000103192044 EG Annotated Mild COP(=O)(OC)[C@H](OC(=O)COc1ccccc1)c1ccco1 ZINC000103192365 EG Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1)c1ccco1 ZINC000103192366 EG Annotated Anodyne COc1cc(OC)c(/C=C2\COc3ccccc3C2=O)c(OC)c1 ZINC000103192740 EG Annotated Mild C=CCOc1cccc(Oc2ccccc2/C(=N\OC)C(=O)NC)c1 ZINC000103192953 EG Annotated Mild CC(C)CNC(=S)N1CCC(c2cccc(Br)c2)=N1 ZINC000103193039 EG Annotated Anodyne COc1ccc([C@H]2C3=C(CCCC3)Nc3ncnc(N)c32)cc1OC ZINC000103193434 EG Annotated Anodyne COc1ccc([C@@H]2C3=C(CCCC3)Nc3ncnc(N)c32)cc1OC ZINC000103193436 EG Annotated Anodyne O=C(c1cccs1)[C@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F ZINC000103194294 EG Annotated Anodyne O=C(c1cccs1)[C@@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F ZINC000103194297 EG Annotated Anodyne CCCNc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 ZINC000103194832 EG Annotated Anodyne Cc1nn(C)c(C(=O)NC(C)(C)c2ccccc2)c1Br ZINC000103195117 EG Annotated Anodyne CCCOc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 ZINC000103196319 EG Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(OC(C)C)cc2)c1Cl ZINC000103196324 EG Annotated Anodyne CCOCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 ZINC000103196342 EG Annotated Anodyne N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1nncs1 ZINC000103197294 EG Annotated Reactive CO/N=C/CCC(F)(F)c1ccc([C@H](C)[S@](C)(=O)=NC#N)cn1 ZINC000103199359 EG Annotated Mild CO/N=C/CCC(F)(F)c1ccc([C@@H](C)[S@](C)(=O)=NC#N)cn1 ZINC000103199361 EG Annotated Mild CO/N=C/CCC(F)(F)c1ccc([C@H](C)[S@@](C)(=O)=NC#N)cn1 ZINC000103199362 EG Annotated Mild CO/N=C/CCC(F)(F)c1ccc([C@@H](C)[S@@](C)(=O)=NC#N)cn1 ZINC000103199364 EG Annotated Mild S=c1s/c(=N\c2ccc(Br)cc2)n2n1CCC2 ZINC000103199729 EG Annotated Anodyne CCO/N=C/Nc1cc(Cl)c(S(=O)(=O)CC)c(Cl)c1 ZINC000103199846 EG Annotated Mild CNC(=O)[C@@H](OC(C)=O)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103199870 EG Annotated Anodyne CNC(=O)[C@H](OC(C)=O)c1cccc(COc2cc(C)ccc2C)c1 ZINC000103199873 EG Annotated Anodyne Cc1cc(C2=C[C@H](c3ccco3)N(C(=O)c3ccncc3)N2)ccc1O ZINC000103200463 EG Annotated Anodyne Cc1cc(C2=C[C@@H](c3ccco3)N(C(=O)c3ccncc3)N2)ccc1O ZINC000103200465 EG Annotated Anodyne CC1=CC(C)(C)NC(=S)N1c1cc(Br)ccc1N ZINC000103200572 EG Annotated Anodyne C[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O ZINC000103200935 EG Annotated Anodyne C[C@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O ZINC000103200937 EG Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@]12NNC(=S)N2 ZINC000103201515 EG Annotated Anodyne CC1(C)C[C@]2(C)Nc3ccc(Br)cc3N2C(=S)N1 ZINC000103201880 EG Annotated Anodyne CC1(C)C[C@@]2(C)Nc3ccc(Br)cc3N2C(=S)N1 ZINC000103201882 EG 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)CCl ZINC000103202713 EG Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)CCl ZINC000103202717 EG Annotated Reactive C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)CCl)[C@@H]3C[C@H]12 ZINC000103202719 EG Annotated Reactive C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)CCl)[C@@H]3C[C@H]12 ZINC000103202720 EG Annotated Reactive C[C@@H](NC(=O)[C@]1(C)C[C@](C)(O)C1)c1ccc(Br)cc1 ZINC000103203327 EG Annotated Anodyne C[C@@H](NC(=O)[C@@]1(C)C[C@](C)(O)C1)c1ccc(Br)cc1 ZINC000103203329 EG Annotated Anodyne CC(C)NC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1cccs1 ZINC000103204117 EG Annotated Reactive Cc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2C(=O)NC(C)C)o1 ZINC000103204119 EG Annotated Reactive CCCCNC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccco1 ZINC000103204123 EG Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[C@@H]1O ZINC000103204427 EG Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[C@@H]1O ZINC000103204431 EG Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[C@H]1O ZINC000103204434 EG Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[C@H]1O ZINC000103204436 EG Annotated Anodyne CS(=O)(=O)N[C@@H]1CCCCCCCCCCC(=O)OCCC1 ZINC000103205080 EG Annotated Anodyne CS(=O)(=O)N[C@H]1CCCCCCCCCCC(=O)OCCC1 ZINC000103205083 EG Annotated Anodyne O=C1CCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000103205833 EG Annotated Anodyne O=C1CCC[C@@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000103205835 EG Annotated Anodyne O=[N+]([O-])c1nn2cc(-c3ccc(Br)cc3)nc2s1 ZINC000103206581 EG Annotated Bother COc1ccc(/C=C2\CN(CC(=O)O)c3ccc(C)cc3C2=O)cc1 ZINC000103207321 EG Annotated Mild Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)CN2CC(=O)O ZINC000103207496 EG Annotated Mild Cc1cccc2c1N(CC(=O)O)C/C(=C\c1ccc(F)cc1)C2=O ZINC000103207510 EG Annotated Mild COc1ccc(/C=C2\CN(CC(=O)O)c3c(C)cccc3C2=O)cc1 ZINC000103207521 EG Annotated Mild COc1cccc2c1C(=O)C(NCc1ccc(F)cc1)=C(C)C2=O ZINC000103207767 EG Annotated Mild COc1ccc(CNC2=C(C)C(=O)c3cccc(OC)c3C2=O)cc1 ZINC000103207770 EG Annotated Mild COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000103207777 EG Annotated Anodyne COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(F)c(Cl)c1 ZINC000103207779 EG Annotated Anodyne COC(=O)c1ccccc1SSc1n[nH]c(-c2cccnc2)n1 ZINC000103208506 EG Annotated Reactive COc1cccc(/C=C2\CN(CC(=O)O)c3ccc(C)cc3C2=O)c1 ZINC000103208793 EG Annotated Mild COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(Cl)cc1C ZINC000103209117 EG Annotated Anodyne COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(Cl)cc1C ZINC000103209118 EG Annotated Anodyne COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(Cl)c(C)c1 ZINC000103209121 EG Annotated Anodyne COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(Cl)c(C)c1 ZINC000103209124 EG Annotated Anodyne COP(=O)(OC)[C@H](C)OC(=O)COc1cc(C)ccc1Cl ZINC000103209126 EG Annotated Anodyne COP(=O)(OC)[C@@H](C)OC(=O)COc1cc(C)ccc1Cl ZINC000103209128 EG Annotated Anodyne COC(=O)c1ccccc1SSc1n[nH]c(-c2ccncc2)n1 ZINC000103209941 EG Annotated Reactive O=C1O[C@H](c2ccccc2)C(=O)N1CCNc1ccc(Cl)cc1 ZINC000103210082 EG Annotated Anodyne O=C1O[C@@H](c2ccccc2)C(=O)N1CCNc1ccc(Cl)cc1 ZINC000103210084 EG Annotated Anodyne C[C@H](NCCC(=O)N1c2ccccc2C=Cc2ccccc21)C(=O)O ZINC000103210455 EG Annotated Anodyne CC(C)/C=C/c1c(O)cc(/C=C/C2=CC(=O)O[C@@H]2CC(=O)O)cc1O ZINC000103214709 EG Annotated Anodyne CC(C)/C=C/c1c(O)cc(/C=C/C2=CC(=O)O[C@H]2CC(=O)O)cc1O ZINC000103214711 EG Annotated Anodyne COCC(=O)n1cc(-c2ocnc2Br)c2ccccc21 ZINC000103214940 EG Annotated Anodyne C[S@@](=O)(Cc1sc(Br)nc1C(F)(F)F)=NC#N ZINC000103215641 EG Annotated Anodyne C[S@](=O)(Cc1sc(Br)nc1C(F)(F)F)=NC#N ZINC000103215643 EG Annotated Anodyne C/C(C[C@@H]1C=Cc2ccc(C(=O)O)c(O)c2N1)=C1/C=CC(=O)C(O)=C1 ZINC000103217885 EG Annotated Mild C/C(C[C@H]1C=Cc2ccc(C(=O)O)c(O)c2N1)=C1/C=CC(=O)C(O)=C1 ZINC000103217887 EG Annotated Mild CCO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000103218506 EG Annotated Mild CC1(C)C[C@H](OCCSC(=N)N)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 ZINC000103218512 EG Annotated Anodyne CC1(C)C[C@H](OCCn2cncn2)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 ZINC000103218519 EG Annotated Anodyne COc1ccccc1/C=C1\CN(CC(=O)O)c2c(C)cccc2C1=O ZINC000103220812 EG Annotated Mild O=c1cc(OCc2nnc(-c3cccs3)[nH]2)c2ccccc2o1 ZINC000103221983 EG Annotated Anodyne Cc1ccc(-c2nnc(COc3cc(=O)oc4ccccc34)[nH]2)cc1 ZINC000103222063 EG Annotated Anodyne N=C(N)c1ccc(-c2cc(-c3cc(C(=N)N)ccc3Cl)no2)cc1 ZINC000103224374 EG Annotated Anodyne Cc1ccc(-c2cnnc(N3CC[C@H](c4cccc(C#N)c4)C3)n2)o1 ZINC000103227015 EG Annotated Mild Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(C#N)c4)C3)n2)o1 ZINC000103227018 EG Annotated Mild O=C(c1cc(Cl)n[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1 ZINC000103232625 EG Annotated Anodyne CC1=C2C=CC[C@H]3C(=O)OC[C@@]23C=CC2=C1[C@H](c1ccoc1)OC2=O ZINC000103232821 EG Annotated Anodyne NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(O)cc3)co2)c1F ZINC000103234512 EG Annotated Anodyne N=C(N)c1cccc(-c2cc(-c3cc(C(=N)N)ccc3Cl)no2)c1 ZINC000103235024 EG Annotated Anodyne N=C(N)c1cccc(-c2cc(-c3cc(C(=N)N)ccc3Cl)on2)c1 ZINC000103235031 EG Annotated Anodyne CCOC(=O)Oc1ccc2[nH]c3c(C)cc(N=C(N)N)c(C)c3c2c1 ZINC000103235147 EG Annotated Mild COC(=O)[C@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@H]2CC=C(C)C ZINC000103237213 EG Annotated Mild COC(=O)[C@@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@H]2CC=C(C)C ZINC000103237215 EG Annotated Mild COC(=O)[C@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@@H]2CC=C(C)C ZINC000103237216 EG Annotated Mild COC(=O)[C@@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@@H]2CC=C(C)C ZINC000103237219 EG Annotated Mild COc1ccc(/C=C(/C(=O)c2ccc(F)cc2F)n2cncn2)cc1 ZINC000103237253 EG Annotated Mild O=C(NCc1ccccc1)c1c(NO)cc(-c2ccccc2)oc1=O ZINC000103238516 EG Annotated Anodyne O=C(Nc1ccc(F)cc1)c1c(NO)cc(-c2ccccc2)oc1=O ZINC000103238578 EG Annotated Anodyne CC1(CCC(=O)Nc2cccc(N)c2)OOC2(CCCCC2)OO1 ZINC000103239204 EG Annotated Reactive Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)ccc12 ZINC000103241979 EG Annotated Anodyne CCCCNc1c(NCCCN(CCCC)CCCC)c(=O)c1=O ZINC000103244118 EG Annotated Anodyne O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1ccccc1Cl ZINC000103244186 EG Annotated Anodyne CC(=O)Nc1cccc(-c2c(C(=O)O)[nH]c3c([N+](=O)[O-])cccc23)c1 ZINC000103244208 EG Annotated Bother Cc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@@H]3CCCN23)cc1 ZINC000103245049 EG Annotated Anodyne O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1cccc(Cl)c1 ZINC000103245479 EG Annotated Anodyne NC(=O)C[S@@](=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000103246725 EG Annotated Anodyne NC(=O)C[S@](=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000103246727 EG Annotated Anodyne Cc1ccc(Cn2cc(C(=O)NCCF)c3ncccc32)c(C)c1 ZINC000103248025 EG Annotated Anodyne O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000103251551 EG Annotated Bother O=C(Nc1ccc(O)cc1)c1c(NO)cc(-c2ccccc2)oc1=O ZINC000103251718 EG Annotated Anodyne C=C1c2c(ncn(-c3ccc(Br)cc3)c2=O)OC1(C)C ZINC000103252094 EG Annotated Mild COc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2c1 ZINC000103252525 EG Annotated Anodyne Nc1ccc(CN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 ZINC000103254210 EG Annotated Clean O=C(O)c1csc(-n2nc(N3CCCCC3)c3ccccc32)n1 ZINC000103254833 EG Annotated Anodyne COc1ccc(/C=N/Nc2cnc3ccccc3n2)c(Cl)c1O ZINC000103258034 EG Annotated Mild Cn1cncc1C(=O)Nc1ccc(F)c(-c2nc3ncccc3o2)c1 ZINC000103259364 EG Annotated Anodyne CN1CCN(Cc2c(O)ccc3oc(Cc4ccccc4)cc23)CC1 ZINC000103262333 EG Annotated Clean CCn1nc(-c2cnccc2C)c2ncc(OCc3ccccn3)nc21 ZINC000103262423 EG Annotated Anodyne N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@@H](c2cccs2)N1 ZINC000103262449 EG Annotated Anodyne N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@H](c2cccs2)N1 ZINC000103262452 EG Annotated Anodyne Cc1ccc(C2=C(CC(=O)O)[C@H](c3cccs3)NC(=N)N2)cc1 ZINC000103262478 EG Annotated Anodyne Cc1ccc(C2=C(CC(=O)O)[C@@H](c3cccs3)NC(=N)N2)cc1 ZINC000103262480 EG Annotated Anodyne CNc1nc(NCCCN(C)C)c2oc(-c3ccccc3)cc2n1 ZINC000103263060 EG Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3ccoc3)cc2n1 ZINC000103263117 EG Annotated Anodyne Cc1ccc(=O)n([C@@H]2CC[C@@](CN)(c3cccc(Cl)c3)CC2)n1 ZINC000103263366 EG Annotated Anodyne CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1 ZINC000103263530 EG Annotated Anodyne CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267058 EG Annotated Anodyne CC(C)C[C@H]1CN(C(=O)/C=C/c2ccccc2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267062 EG Annotated Anodyne CC(C)C[C@H]1CN(C(=O)/C=C\c2ccccc2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267064 EG Annotated Anodyne O=S(=O)(Nc1ccncc1Nc1cccc(F)c1)C(F)(F)F ZINC000103267298 EG Annotated Anodyne O=S(=O)(Nc1ccncc1Nc1ccc(F)cc1)C(F)(F)F ZINC000103267300 EG Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1CN1CCOCC1 ZINC000103267791 EG Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1CN1CCOCC1 ZINC000103267794 EG Annotated Anodyne NC(=O)[C@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000103268946 EG Annotated Anodyne NC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000103268949 EG Annotated Anodyne O=C(Nc1ccc(F)c(-c2nc3ncccc3o2)c1)[C@@H]1CCCO1 ZINC000103271558 EG Annotated Anodyne O=C(Nc1ccc(F)c(-c2nc3ncccc3o2)c1)[C@H]1CCCO1 ZINC000103271560 EG Annotated Anodyne N#Cc1cc2cnc(NCc3ccccc3)nc2n(C2CCCC2)c1=O ZINC000103271563 EG Annotated Mild N#Cc1cc2cnc(Nc3ccccc3O)nc2n(C2CCCC2)c1=O ZINC000103271570 EG Annotated Mild O=c1cc(-n2cc(COc3ccc(F)cc3)nn2)c2ccccc2o1 ZINC000103271642 EG Annotated Anodyne CCOC(=O)/N=c1/sc(C#N)cn1-c1cccc(C(F)(F)F)c1 ZINC000103272202 EG Annotated Mild Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N\C(=O)N(C)C)s1 ZINC000103272303 EG Annotated Anodyne CCOP(=O)(OCC)[C@@]1(C#N)SC[C@@H](CN(C)C)CS1 ZINC000103272663 EG Annotated Mild CCOP(=O)(OCC)[C@@]1(C#N)SC[C@H](CN(C)C)CS1 ZINC000103272665 EG Annotated Mild CCCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1 ZINC000103273300 EG Annotated Bother COC(=O)N1CC[C@@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@@H]21 ZINC000103273434 EG Annotated Mild COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@@H]21 ZINC000103273436 EG Annotated Mild COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@H]21 ZINC000103273444 EG Annotated Anodyne Cn1nc(SCc2ccccc2)c(C#N)c1NCCCN=C=S ZINC000103273981 EG Annotated Reactive CCOc1c(-c2c(CC)cc(C)cc2CC)c(=O)n2n1CCOCC2 ZINC000103274637 EG Annotated Anodyne Cc1cc(C)c(C2C(=O)N3C[C@H]4CCCC[C@@H]4CN3C2=O)c(C)c1 ZINC000103274743 EG Annotated Clean CC(=O)OC/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000103275469 EG Annotated Mild CC(=O)OC/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000103275471 EG Annotated Mild CCCCC1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103275898 EG Annotated Mild CC(C)CC1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103275977 EG Annotated Mild Cc1cc(C)n(Cc2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000103276310 EG Annotated Bother CC[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl ZINC000103276436 EG Annotated Anodyne CC[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl ZINC000103276438 EG Annotated Anodyne Cc1nc2ccccc2c(=O)n1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000103278838 EG Annotated Anodyne CC(C)C[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103278880 EG Annotated Reactive CC(C)C[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103278882 EG Annotated Reactive CC[C@@H](C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103278883 EG Annotated Reactive CC[C@H](C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103278885 EG Annotated Reactive CC[C@@H](C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103278887 EG Annotated Reactive CC[C@H](C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103278890 EG Annotated Reactive CCC[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103279061 EG Annotated Reactive CCC[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103279062 EG Annotated Reactive CCCC[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103279069 EG Annotated Reactive CCCC[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103279071 EG Annotated Reactive O=C1NCCOc2ccc(OCc3ccccc3Br)cc21 ZINC000103280350 EG Annotated Anodyne CC(C)(C)C1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103281857 EG Annotated Mild Cc1ccc(-n2nc(C)n(-c3nnc(-c4ccccc4)s3)c2=O)cc1 ZINC000103282733 EG Annotated Anodyne O=C(c1ccc(O)cc1)n1nc(-c2ccc(O)cc2)sc1=S ZINC000103282865 EG Annotated Anodyne O=C1NC2=C(C(=O)CCC2)[C@@H](c2cc3ccccc3[nH]c2=S)N1 ZINC000103283170 EG Annotated Mild O=C1NC2=C(C(=O)CCC2)[C@H](c2cc3ccccc3[nH]c2=S)N1 ZINC000103283174 EG Annotated Mild O=C1CCCC2=C1[C@@H](c1cc3ccccc3[nH]c1=S)NC(=S)N2 ZINC000103283178 EG Annotated Mild O=C1CCCC2=C1[C@H](c1cc3ccccc3[nH]c1=S)NC(=S)N2 ZINC000103283181 EG Annotated Mild O=C(Oc1ccc2c3c(cccc13)C(=O)O2)c1ccc2c(c1)OCO2 ZINC000103283964 EG Annotated Anodyne O=C1[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000103284615 EG Annotated Bother O=C1[C@H]([C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000103284617 EG Annotated Bother O=C1[C@@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000103284619 EG Annotated Bother O=C1[C@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000103284621 EG Annotated Bother O=C1O[C@H](c2ccc(Cl)cc2)C(I)=C1O ZINC000103285195 EG Annotated Anodyne O=C1O[C@@H](c2ccc(Cl)cc2)C(I)=C1O ZINC000103285198 EG Annotated Anodyne Cn1cccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000103287064 EG Annotated Clean Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2ccccc2Br)o1 ZINC000103287103 EG Annotated Bother Cc1cccc(C#C[C@@]2(O)C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)C)c1 ZINC000103287317 EG Annotated Mild Cc1nc(N(C=O)Cc2ccc(Cl)cc2)nc(C(F)(F)F)n1 ZINC000103287637 EG Annotated Anodyne CCCN(CC)C(=O)c1cn(C)nc1OCc1cc(F)cc(F)c1 ZINC000103289023 EG Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@H]1OC(=O)C(O)=C1Br ZINC000103290626 EG Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@H]1OC(=O)C(O)=C1Br ZINC000103290628 EG Annotated Anodyne Nc1nc(=O)[nH]c2c1[C@H](c1ccccc1)c1ccc3cccnc3c1O2 ZINC000103290778 EG Annotated Anodyne Nc1nc(=O)[nH]c2c1[C@@H](c1ccccc1)c1ccc3cccnc3c1O2 ZINC000103290780 EG Annotated Anodyne O=[N+]([O-])c1ccc(-c2nn(CNc3ccccn3)c(=S)o2)cc1 ZINC000103290899 EG Annotated Bother Cc1cccc(C#C[C@@]2(O)C[C@@H]3CC[C@H](C2)N3c2ncccc2C#N)c1 ZINC000103293061 EG Annotated Mild O=C1CN(C2CC2)C(=O)/C1=C(\O)c1cccc(Oc2ccccc2)c1 ZINC000103294700 EG Annotated Mild CSc1nn(-c2ccccc2)c(NCCCN=C=S)c1C#N ZINC000103296230 EG Annotated Reactive CCC1=C(Cl)[C@H](Cl)N(CC)C(OP(=O)(O)O)=C1Cl ZINC000103296717 EG Annotated Reactive CCC1=C(Cl)[C@@H](Cl)N(CC)C(OP(=O)(O)O)=C1Cl ZINC000103296719 EG Annotated Reactive CC(C)NC(=O)SCC[C@@H](CN(C)C)SC(=O)NC(C)C ZINC000103297110 EG Annotated Anodyne CC(C)NC(=O)SCC[C@H](CN(C)C)SC(=O)NC(C)C ZINC000103297112 EG Annotated Anodyne COc1c(C)c(OC)c2c(c1C=O)O[C@H](c1ccccc1)C[C@H]2O ZINC000103298376 EG Annotated Anodyne Cc1csc(-c2coc3cc(OCCN(C)C)cc(C)c3c2=O)n1 ZINC000103298653 EG Annotated Anodyne CCCNS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2 ZINC000103299709 EG Annotated Bother Cc1cn(NC(=O)c2cnc(-c3ccccn3)nc2)c2ccc(F)cc12 ZINC000103300088 EG Annotated Anodyne O=C(NC1CCCC1)N1Cc2cc(-c3c[nH]nc3C3CC3)cnc2C1 ZINC000103300103 EG Annotated Anodyne CCOC(=O)CCCN1N=C2c3ccc(Cl)cc3CC[C@H]2CC1=O ZINC000103301544 EG Annotated Anodyne CCOC(=O)CCCN1N=C2c3ccc(Cl)cc3CC[C@@H]2CC1=O ZINC000103301546 EG Annotated Anodyne CCOC(=O)CCCCCN1N=C2c3ccccc3CC[C@H]2CC1=O ZINC000103301551 EG Annotated Anodyne CCOC(=O)CCCCCN1N=C2c3ccccc3CC[C@@H]2CC1=O ZINC000103301553 EG Annotated Anodyne CC1(C)CC(=O)C/C(=N/NC(=O)c2ccccc2Br)C1 ZINC000103455015 EG Annotated Reactive C=CCOc1ccc(/C=C2/N=C(C)C(C(=O)OCC)=C2O)cc1OC ZINC000103523895 EG Annotated Mild C[C@H](C(=O)/N=C1\C=C(C2CC2)N=N1)c1ccc(N2CCNC2=O)cc1 ZINC000103527600 EG Annotated Mild COc1ccc(CC/N=c2\cc(O)oc3ccccc23)cc1OC ZINC000103529030 EG Annotated Anodyne CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/CC1CCNCC1 ZINC000103530496 EG Annotated Mild CCCC1=Nc2nc(C)nn2[C@H](c2cccnc2)/C1=C(/O)OCC ZINC000103530785 EG Annotated Anodyne CCCC1=Nc2nc(C)nn2[C@@H](c2cccnc2)/C1=C(/O)OCC ZINC000103530790 EG Annotated Anodyne CC/N=c1\c(NC(=O)c2ccccc2F)c(O)oc2ccccc12 ZINC000103532159 EG Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(O)CCCC1=N2 ZINC000103532513 EG Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(O)CCCC1=N2 ZINC000103532516 EG Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000103533920 EG Annotated Mild in-vitro biogenic CCN(CCC/N=c1/c(-c2ccccc2)c(O)c1=O)Cc1ccccc1 ZINC000103535344 EG Annotated Anodyne CCN(CC)CCC/N=c1/c(-c2ccc(C(C)C)cc2)c(O)c1=O ZINC000103535407 EG Annotated Anodyne Cc1ccc(-c2c(O)c(=O)/c2=N\CCCN(C)Cc2ccccc2)cc1 ZINC000103535433 EG Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccccc1C)C1=C(O)CCCC1=N2 ZINC000103538643 EG Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccccc1C)C1=C(O)CCCC1=N2 ZINC000103538646 EG Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1OCC ZINC000103538734 EG Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1OCC ZINC000103538744 EG Annotated Anodyne COc1ccc(C(=O)NO/C(O)=C/C(C)=N/Cc2ccccc2)cc1 ZINC000103540375 EG Annotated Mild COc1ccc(/C=N/n2cnc3c4cc(OC)ccc4nc-3c2O)cc1 ZINC000103540641 EG Annotated Mild CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13O[C@H]1C1=C(CO)C(=O)OC1=C[C@@H]32 ZINC000103549488 EG Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@]1(C)[C@H](O)C(=O)c1ccoc1)[C@@]23C ZINC000103549971 EG Annotated Anodyne in-vitro biogenic CC1(C)C(CSS(C)(=O)=O)=C(c2ccccc2)C(C)(C)N1[O] ZINC000103554863 EG Annotated Reactive Cc1nc2c(s1)-c1nc(/N=C3\C=C([N+](=O)[O-])C=CC3)ncc1CC2 ZINC000103560728 EG Annotated Mild Cc1nc2c(s1)-c1nc(/N=C3/C=C([N+](=O)[O-])C=CC3)ncc1CC2 ZINC000103560733 EG Annotated Mild CN1CC[C@]23c4ccccc4N[C@@H]1[C@]21CCN(C)[C@H]3Nc2ccccc21 ZINC000103578297 EG Annotated Anodyne in-vitro biogenic Cc1[nH]n(Cc2cccc(Cl)c2)c2nc(-c3cnn(C)c3)nc1-2 ZINC000103584440 EG Annotated Anodyne COc1ccc(-n2[nH]c(C)c3nc(-c4nn(C)cc4Cl)nc2-3)cc1 ZINC000103584498 EG Annotated Anodyne CC(=O)O[C@H]1C/C(C)=C/CC[C@@]2(C)O[C@H]2[C@H](OC(C)=O)[C@H]1C(C)C ZINC000103585968 EG Annotated Anodyne in-vitro biogenic Cc1[nH]n(Cc2ccccc2)c2nc(-c3nn(C)cc3Cl)nc1-2 ZINC000103586098 EG Annotated Anodyne CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)NCc1ccc(C)cc1 ZINC000103587544 EG Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)NCc1ccc(C)cc1 ZINC000103587551 EG Annotated Anodyne CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)NCCc1ccccc1 ZINC000103587610 EG Annotated Anodyne CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)NCCc1ccccc1 ZINC000103587613 EG Annotated Anodyne CCCn1[nH]cc2nc(-c3cc(Cn4cncn4)c(C)cc3C)nc1-2 ZINC000103595001 EG Annotated Anodyne COc1ccc(-n2cccn2)c(-c2nc3c(C)[nH]n(C(C)C)c-3n2)c1 ZINC000103597399 EG Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@@H]2c2ccc(Br)cc2)CCC1 ZINC000103627489 EG Annotated Anodyne OC1=C2C(=Nc3nnnn3[C@H]2c2ccc(Br)cc2)CCC1 ZINC000103627495 EG Annotated Anodyne C/N=c1\c(N/C(O)=N/c2ccccc2F)c(O)oc2ccccc12 ZINC000103632393 EG Annotated Mild C/N=c1\c(N/C(O)=N/Cc2ccc(F)cc2)c(O)oc2ccccc12 ZINC000103632842 EG Annotated Mild CCC/N=c1\c(N/C(O)=N/CCCOCC)c(O)oc2ccccc12 ZINC000103655107 EG Annotated Mild Cc1[nH]nc2c1[C@@H](c1ccccc1Br)C1=C(O)OCC1=N2 ZINC000103670381 EG Annotated Anodyne Cc1[nH]nc2c1[C@H](c1ccccc1Br)C1=C(O)OCC1=N2 ZINC000103670387 EG Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)ccc1O ZINC000103693037 EG Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)ccc1O ZINC000103693041 EG Annotated Anodyne C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@@]31CO1 ZINC000103736342 EG Annotated Anodyne CC(C)c1ccc2c(c1)=C(c1cccs1)NN=C(c1ccncc1)N=2 ZINC000103741644 EG Annotated Anodyne O=C(Nc1ccccc1C(F)(F)F)C1=C/C(=C2/C=CC=CC2=O)ON1 ZINC000103744712 EG Annotated Mild C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccc(OC)cc2)C=C1 ZINC000103757097 EG Annotated Mild CC(C)(C)OC(=O)N/N=C/C1=C/C(=N/Nc2ccccc2)C=CC1=O ZINC000103762098 EG Annotated Reactive Cc1ccc(C2=NN=C(N)/C2=N/Nc2cccc(Cl)c2C)cc1 ZINC000103766679 EG Annotated Mild O=C1C=CC=C/C1=C1/C[C@H](c2cccs2)N(C(=O)c2ccco2)N1 ZINC000103782214 EG Annotated Mild O=C1C=CC=C/C1=C1/C[C@@H](c2cccs2)N(C(=O)c2ccco2)N1 ZINC000103782218 EG Annotated Mild COC1=CC(=O)/C(=C(\C)NNc2ncc(Cl)cc2Cl)C=C1 ZINC000103821983 EG Annotated Mild O=C(NN/C=C1\C=NN=C1c1ccc(Cl)cc1)c1cccs1 ZINC000103838723 EG Annotated Reactive CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(Br)c1 ZINC000103870894 EG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(Br)c1 ZINC000103870899 EG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(Br)cc1 ZINC000103871478 EG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(Br)cc1 ZINC000103871482 EG Annotated Anodyne CCCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nnnn21 ZINC000103884435 EG Annotated Anodyne CCCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nnnn21 ZINC000103884440 EG Annotated Anodyne CCc1c(C)nc2cc(-c3cccc(Br)c3)[nH]n2c1=O ZINC000103893998 EG Annotated Anodyne CCCc1cc(=O)n2[nH]c(-c3ccc(Br)cc3)cc2n1 ZINC000103894068 EG Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000103894780 EG Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(O)c1 ZINC000103894785 EG Annotated Mild O=c1c2c(nc3cc(-c4ccc(Br)cc4)[nH]n13)CCCC2 ZINC000103895383 EG Annotated Anodyne Cc1nc2cc(-c3ccc(Br)cc3)[nH]n2c(=O)c1Cl ZINC000103895992 EG Annotated Anodyne CCCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1 ZINC000103904703 EG Annotated Anodyne O=C(NN/C=C1\C(c2ccccc2)=Nc2ccccc21)c1cccnc1 ZINC000103915505 EG Annotated Reactive CCON/C(C)=C1/C(=O)C=C(C(C)(C)C)N(c2ccccc2)C1=O ZINC000103915973 EG Annotated Mild CCOC(=O)c1ccc(NC2=N/C(=C3\C=CC=CC3=O)NC(C)=C2)cc1 ZINC000103917928 EG Annotated Mild CCON/C(C)=C1/C(=O)C=C(c2ccccc2)N(c2ccccc2)C1=O ZINC000103919625 EG Annotated Mild O=c1c2c(nc3c(-c4cccc(Br)c4)c[nH]n13)CCCC2 ZINC000103922538 EG Annotated Anodyne CCCCCn1c(S)nc2cc(C(=O)N(CC)CC)ccc2c1=O ZINC000103926450 EG Annotated Anodyne O=S(=O)(Cc1ccccc1)/C1=C(/N2CCOCC2)CCCCCC1 ZINC000103929143 EG Annotated Anodyne COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(S)nc2c1 ZINC000103936080 EG Annotated Anodyne CCO/C(O)=C1\C(C)=NC(S)=N[C@H]1c1ccc(OC)cc1OC ZINC000103942257 EG Annotated Anodyne CCO/C(O)=C1\C(C)=NC(S)=N[C@@H]1c1ccc(OC)cc1OC ZINC000103942260 EG Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@@H]3O[C@]132 ZINC000103949777 EG Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@H]3O[C@@]132 ZINC000103949782 EG Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nnnn21 ZINC000103963780 EG Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nnnn21 ZINC000103963787 EG Annotated Anodyne CCOC(=O)c1c(N/C=C2\C=CC=C([N+](=O)[O-])C2=O)sc(C)c1C ZINC000103979723 EG Annotated Mild C/C(NNC(=O)COc1cccc(C)c1)=C1/C=Cc2ccccc2C1=O ZINC000103981232 EG Annotated Reactive O=c1nc2c(-c3cccc(Br)c3)n[nH]n2c2ccccc12 ZINC000103989642 EG Annotated Anodyne Cc1cc(N2CCN(C3CCCCC3)CC2)[nH]c2cccc(=O)c1-2 ZINC000103990952 EG Annotated Anodyne C=CCN1C(SCc2cccc(C#N)c2)=NN/C1=C1/C=CC=CC1=O ZINC000103991085 EG Annotated Mild COc1ccccc1/C=C/C=N\[C@H]1C(=O)N(c2ccccc2)[N+](C)=C1C ZINC000104001273 EG Annotated Mild CCCCCCCCCCS(=O)(=O)NNC=C1C=CC(=O)C=C1 ZINC000104007237 EG Annotated Mild CC[C@@H](C)SC1=NN/C(=C2\C=Nc3ccccc32)N1CCOC ZINC000104008243 EG Annotated Anodyne CC[C@H](C)SC1=NN/C(=C2\C=Nc3ccccc32)N1CCOC ZINC000104008248 EG Annotated Anodyne COC1=CC(=O)/C(=C2/NOC(C)=C2c2ccc3ccccc3n2)C=C1 ZINC000104012317 EG Annotated Mild C=CCN1C(SCc2ccccc2C#N)=NN/C1=C1/C=CC=CC1=O ZINC000104013982 EG Annotated Mild O=C1C=CC(Br)=C/C1=C1\C=C(c2ccccc2Cl)NN1 ZINC000104025692 EG Annotated Mild O=C1C=CC(Br)=C/C1=C1\C=C(c2ccc(Cl)cc2)NN1 ZINC000104025725 EG Annotated Mild CN1CCc2c(sc(N/C=C3\C=C(Cl)C=CC3=O)c2C#N)C1 ZINC000104025812 EG Annotated Mild O=C1C=CC(=C2N=C(c3ccccc3)C(c3ccccc3)=NN2)C=C1 ZINC000104025849 EG Annotated Mild COC1=CC(=O)/C(=C2\ONC(C)=C2c2cnn(-c3ccccc3)c2)C=C1 ZINC000104026247 EG Annotated Mild CC1=C(c2ccccc2)N(c2ccccc2)C(=O)/C(=C(/C)NO)C1=O ZINC000104026502 EG Annotated Mild CCOC(=O)c1c(N/C=C2\C=C([N+](=O)[O-])C=CC2=O)sc(C)c1C ZINC000104027374 EG Annotated Mild COC1=C/C(=C/Nc2oc(C)c(C)c2C#N)C=C(Br)C1=O ZINC000104027454 EG Annotated Mild C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccccc2OC)C=C1 ZINC000104028865 EG Annotated Mild Cc1cc2ncn(N/C=C3\C=C(Br)C=CC3=O)c2cc1C ZINC000104029101 EG Annotated Mild COC1=C(OC)C(=O)/C(=C2\NNC(C)=C2c2ccc(Cl)cc2)C=C1 ZINC000104029556 EG Annotated Mild COC1=CC=C/C(=C2\N=C(NCc3ccco3)c3ccccc3N2)C1=O ZINC000104029897 EG Annotated Mild COC1=CC=C/C(=C2\N=C(N3CCCCC3)c3ccccc3N2)C1=O ZINC000104029960 EG Annotated Mild COC1=CC=C/C(=C2\N=C(N3CCC(C)CC3)c3ccccc3N2)C1=O ZINC000104029971 EG Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1 ZINC000104046624 EG Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1 ZINC000104046632 EG Annotated Mild C=C1[C@H]2CC[C@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O ZINC000104058190 EG Annotated Mild C=C1[C@H]2CC[C@]3(CC[C@@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O ZINC000104058194 EG Annotated Mild CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1C ZINC000104059889 EG Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1C ZINC000104059895 EG Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1F ZINC000104059990 EG Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1F ZINC000104059992 EG Annotated Anodyne COc1ccc(CSc2nc(=O)cc(O)n2CC(C)C)cc1F ZINC000104083355 EG Annotated Anodyne OC1=C2C(=Nc3nc(O)nc(O)c3[C@H]2c2ccccc2)c2ccccc21 ZINC000104090457 EG Annotated Anodyne OC1=C2C(=Nc3nc(O)nc(O)c3[C@@H]2c2ccccc2)c2ccccc21 ZINC000104090462 EG Annotated Anodyne CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C\c1ccc(Cl)cc1 ZINC000104091124 EG Annotated Mild CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C\c1ccc(Cl)cc1 ZINC000104091131 EG Annotated Mild O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c(/C=N/C3CC3)c2O)cc1 ZINC000104103278 EG Annotated Mild CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(F)c1 ZINC000104115666 EG Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(F)c1 ZINC000104115671 EG Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(F)cc1 ZINC000104115832 EG Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(F)cc1 ZINC000104115838 EG Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(C)cc1 ZINC000104116058 EG Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(C)cc1 ZINC000104116063 EG Annotated Anodyne CC1=Nc2ncnn2[C@H](c2ccncc2)/C1=C(/O)OC1CCCCC1 ZINC000104116192 EG Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2ccncc2)/C1=C(/O)OC1CCCCC1 ZINC000104116198 EG Annotated Anodyne CC1=Nc2nnnn2[C@@H](c2ccccc2)/C1=C(\O)OC1CCCCC1 ZINC000104116204 EG Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccncc1 ZINC000104116275 EG Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccncc1 ZINC000104116281 EG Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(F)cc1 ZINC000104116436 EG Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(F)cc1 ZINC000104116439 EG Annotated Anodyne O=C1C=C/C(=C2/Nc3ccccc3N/C2=C2\C=CC(=O)C=C2O)C(O)=C1 ZINC000104190081 EG Annotated Mild O=C1C=CC=C/C1=C1/NN=C(COc2ccc(Cl)cc2Cl)O1 ZINC000104212071 EG Annotated Mild C/C=C1/[C@@H]2N3CC[C@@H]1C[C@H]1N(C(C)=O)c4c(OC)cccc4[C@]21CC3 ZINC000104352670 EG Annotated Anodyne in-man CC[C@H]1[C@@H]2N3CC[C@@H]1C[C@H]1N(C(C)=O)c4c(OC)cccc4[C@]21CC3 ZINC000104352681 EG Annotated Anodyne in-man CC[C@@H]1[C@@H]2N3CC[C@@H]1C[C@H]1N(C(C)=O)c4c(OC)cccc4[C@]21CC3 ZINC000104352684 EG Annotated Anodyne in-man CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@@H]2OC3=O ZINC000104370301 EG Annotated Clean in-man CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@H](O)[C@@H]2OC3=O ZINC000104370306 EG Annotated Clean in-man C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000104370385 EG Annotated Mild in-man C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000104370387 EG Annotated Mild in-man endogenous C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000104370390 EG Annotated Mild in-man endogenous CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1 ZINC000104380374 EG Annotated Mild in-man CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@@H]3C(C)(C)CCC[C@]23C(=O)O1 ZINC000104380383 EG Annotated Mild in-man CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2N ZINC000104383461 EG Annotated Clean in-man CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2N ZINC000104383466 EG Annotated Clean in-man Cn1cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c2ccccc21 ZINC000104426273 EG Annotated Anodyne CC(C)N1CCN(Cc2ccc3cc(Cl)ccc3n2)C[C@H]1CCO ZINC000104528795 EG Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1ccccc1C(=O)O ZINC000104695686 EG Annotated Mild Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1c(C)nn(C)c1C ZINC000104704180 EG Annotated Mild CCN1C(=O)[C@H](CC(=O)O)S/C1=N/c1cccc(Cl)c1Cl ZINC000104705568 EG Annotated Mild CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/c1cccc(Cl)c1Cl ZINC000104705574 EG Annotated Mild COc1ccccc1-n1c(O)cc(=O)nc1SCc1ccccc1 ZINC000104706433 EG Annotated Anodyne C[C@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000105340080 EG Annotated Anodyne CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O ZINC000105363362 EG Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@H](C)O[C@@H](C)C4)[C@H]3C[C@@H]12 ZINC000105364365 EG Annotated Mild CN(C)/N=N\c1ccnc2c(I)cccc12 ZINC000105364505 EG Annotated Clean CN(C)/N=N\c1ccnc2ccc(I)cc12 ZINC000105391893 EG Annotated Clean Cc1ccc(S(=O)(=O)N[C@]2(C=O)CCC[C@H]3CCCC[C@H]32)cc1 ZINC000105473925 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@@]1(O)C3 ZINC000105474366 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@@]1(O)C3 ZINC000105474372 EG Annotated Mild C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 ZINC000105576365 EG Annotated Mild C/C1=C/C=C(\C(C)C)C(=O)[C@@H](O)[C@H](C)CCC(=O)/C(CO)=C\CC1 ZINC000105579105 EG Annotated Mild C=CCNc1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000105615590 EG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000106037974 EG Annotated Mild in-man C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000106037976 EG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000106037980 EG Annotated Mild in-man CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC ZINC000108225707 EG Annotated Anodyne CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC ZINC000108225710 EG Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)O[C@H]2c2ccc(Cl)cc2)cc1 ZINC000110834937 EG Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)O[C@H]2c2ccc(Cl)cc2)cc1 ZINC000110834942 EG Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)O[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000110834946 EG Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)O[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000110834950 EG Annotated Anodyne N#Cc1cn(-c2ccc(C(=O)O)cc2)c2ccc(/C=C/C(=O)O)cc12 ZINC000113275826 EG Annotated Anodyne Cc1cc(NC(=O)C2CC2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 ZINC000113332382 EG Annotated Anodyne Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)C1CC1 ZINC000113334765 EG Annotated Anodyne CCOC(=O)c1cccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)c1 ZINC000113409285 EG Annotated Mild CCOC(=O)c1cccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)c1 ZINC000113409287 EG Annotated Mild COc1c(F)cc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cc1F ZINC000113410710 EG Annotated Mild COc1c(F)cc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cc1F ZINC000113410713 EG Annotated Mild COc1ccc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12 ZINC000113420258 EG Annotated Anodyne CCc1cnc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12 ZINC000113420496 EG Annotated Anodyne Cc1nc2nc(CCc3nc(-c4ccccc4)cn3C)nn2c(C)c1C ZINC000113422603 EG Annotated Anodyne Cn1cc(-c2ccccc2)nc1CSc1nc2ccc(C#N)cn2n1 ZINC000113422980 EG Annotated Anodyne Cc1cc(C)n2nc(CSc3nc(-c4ccccc4)c[nH]3)nc2n1 ZINC000113423876 EG Annotated Anodyne COc1cc(-c2cnc3ccc(Br)cn23)cnc1OC ZINC000113753166 EG Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc(Cl)cc1 ZINC000113894459 EG Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000113894460 EG Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1cccc(Cl)c1 ZINC000113894516 EG Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1cccc(Cl)c1 ZINC000113894518 EG Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccccc1Cl ZINC000113894554 EG Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccccc1Cl ZINC000113894556 EG Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2cnccc2Cl)c(OCCF)c1 ZINC000114028008 EG Annotated Anodyne COc1cc2sc(-c3c(-c4ccncc4)n[nH]c3N)nc2cc1F ZINC000114399777 EG Annotated Anodyne Cc1[nH]nc(N)c1-c1nc2cc(F)c(Br)cc2s1 ZINC000114400664 EG Annotated Anodyne COc1cc2sc(-c3c(-c4ccno4)n[nH]c3N)nc2cc1F ZINC000114409486 EG Annotated Anodyne N#Cc1ccc(Oc2ccc(-c3cccc([C@H](O)CO)n3)cc2)cc1 ZINC000114591466 EG Annotated Anodyne N#Cc1ccc(Oc2ccc(-c3cccc([C@@H](O)CO)n3)cc2)cc1 ZINC000114591469 EG Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3C[C@@H]3CO)cc12 ZINC000114710647 EG Annotated Anodyne Cn1ncc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21 ZINC000114748331 EG Annotated Anodyne Cn1cnc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21 ZINC000114750230 EG Annotated Anodyne c1cc2[nH]nc(-c3ccc4nc[nH]c4c3)c2c(OC2CCOCC2)n1 ZINC000114771887 EG Annotated Anodyne c1cc2[nH]nc(-c3ccc4cn[nH]c4c3)c2c(OC2CCOCC2)n1 ZINC000114771894 EG Annotated Anodyne CC(C)n1cc(-c2n[nH]c3ccnc(OCC(F)(F)F)c23)cn1 ZINC000114772262 EG Annotated Anodyne CC(C)n1cc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)cn1 ZINC000114772805 EG Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccncc4)c3C2)nc1 ZINC000114995171 EG Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccncc4)c3C2)nc1 ZINC000114995174 EG Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](C)c4cccnc4)c3C2)nc1 ZINC000114996840 EG Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4cccnc4)c3C2)nc1 ZINC000114996841 EG Annotated Anodyne O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(CO)(CCc2ccccc2)CC1 ZINC000011662063 EG Annotated Anodyne Cc1c[nH]c(CN(C)c2nncc(-c3cccc4ccccc34)n2)n1 ZINC000011663716 EG Annotated Anodyne Cc1ccn2cc(CNc3nncc(-c4ccccc4F)n3)nc2c1 ZINC000011664079 EG Annotated Anodyne CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000011664088 EG Annotated Anodyne Cc1nonc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011665029 EG Annotated Anodyne Cc1nonc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011665030 EG Annotated Anodyne Cc1nc2n(c1C)N=C(c1ccccc1)c1cc3c(cc1C2)OCO3 ZINC000011686762 EG Annotated Anodyne CCO[C@H](C)n1c([S@@](=O)Cc2ccccn2)nc2ccccc21 ZINC000011687193 EG Annotated Anodyne CCO[C@H](C)n1c([S@](=O)Cc2ccccn2)nc2ccccc21 ZINC000011687194 EG Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2nonc2C)C1 ZINC000011701910 EG Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2nonc2C)C1 ZINC000011701921 EG Annotated Anodyne COc1ccc(-c2nc(CN3CCCC[C@@H]3CO)c(C)o2)c(F)c1 ZINC000011703064 EG Annotated Anodyne COc1ccc(-c2nc(CN3CCCC[C@H]3CO)c(C)o2)c(F)c1 ZINC000011703068 EG Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cnsn2)C1 ZINC000011753713 EG Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cnsn2)C1 ZINC000011753714 EG Annotated Anodyne CC(C)(C)NC(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000011753869 EG Annotated Anodyne Cc1ccccc1CCN1CCC[C@H](CN(C)Cc2ccon2)C1 ZINC000011771843 EG Annotated Anodyne Cc1ccccc1CCN1CCC[C@@H](CN(C)Cc2ccon2)C1 ZINC000011771846 EG Annotated Anodyne Cc1cc(C)n(CCN(C)Cc2cn(C)nc2-c2ccccc2F)n1 ZINC000011815671 EG Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)[C@@H](C)c2ccon2)c(OC)c1 ZINC000011818678 EG Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)[C@H](C)c2ccon2)c(OC)c1 ZINC000011818679 EG Annotated Anodyne c1ccc(-n2ncc3c2CCC[C@H]3NC2CSCCSC2)nc1 ZINC000011820546 EG Annotated Anodyne c1ccc(-n2ncc3c2CCC[C@@H]3NC2CSCCSC2)nc1 ZINC000011820547 EG Annotated Anodyne CC(C)CC(=O)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 ZINC000011838874 EG Annotated Anodyne CC(C)CC(=O)NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 ZINC000011838876 EG Annotated Anodyne Cc1nc(-c2ccncc2)ncc1[C@@H](C)NCc1nc(C)c(C)nc1C ZINC000011840582 EG Annotated Anodyne Cc1nc(-c2ccncc2)ncc1[C@H](C)NCc1nc(C)c(C)nc1C ZINC000011840584 EG Annotated Anodyne Cc1ccc(-c2nnc(CCC(=O)NCc3csc(C)n3)o2)s1 ZINC000011842648 EG Annotated Anodyne CN1C[C@@H]2C[C@@H](c3ccccc3OC3CCCC3)N3CCC[C@@]23C1=O ZINC000011842939 EG Annotated Anodyne C/C(=C\c1ccco1)CN1CCC[C@@H](CNC(=O)c2cc(C)on2)C1 ZINC000011843460 EG Annotated Anodyne C/C(=C\c1ccco1)CN1CCC[C@H](CNC(=O)c2cc(C)on2)C1 ZINC000011843461 EG Annotated Anodyne COC(=O)c1ccc(-c2noc(CN3CCCCCCC3)n2)cc1 ZINC000011878606 EG Annotated Anodyne COc1ccc(CC2=NO[C@@H](CNC(=O)c3sccc3C)C2)cc1 ZINC000011880869 EG Annotated Anodyne COc1ccc(CC2=NO[C@H](CNC(=O)c3sccc3C)C2)cc1 ZINC000011880870 EG Annotated Anodyne Cc1nc(CNc2nncc(-c3ccccc3)n2)nc2c1CCCC2 ZINC000011932802 EG Annotated Anodyne COCC(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000011935303 EG Annotated Anodyne Cc1ncc(CN[C@@H]2CCCc3nc(-c4ccccc4)ncc32)n1C ZINC000011935786 EG Annotated Anodyne Cc1ncc(CN[C@H]2CCCc3nc(-c4ccccc4)ncc32)n1C ZINC000011935787 EG Annotated Anodyne OCC1(C[C@@H]2CCCCO2)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000011936423 EG Annotated Anodyne OCC1(C[C@H]2CCCCO2)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000011936424 EG Annotated Anodyne CSCC(=O)N[C@@H](C)c1cnc(N(C)C2CCCCC2)nc1C ZINC000011946167 EG Annotated Anodyne CSCC(=O)N[C@H](C)c1cnc(N(C)C2CCCCC2)nc1C ZINC000011946171 EG Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnccn2)c1C ZINC000011950208 EG Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cnccn2)c1C ZINC000011950214 EG Annotated Anodyne CN(Cc1ccccn1)C(=O)c1cc(Cc2ccc(F)cc2)no1 ZINC000011969596 EG Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccn4)c3C2)nc1 ZINC000115001529 EG Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccccn4)c3C2)nc1 ZINC000115001530 EG Annotated Anodyne Cc1nc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2[nH]1 ZINC000115624798 EG Annotated Anodyne CCOC(=O)c1cc2cc(-c3nc(C(=O)OCC)[nH]c3C)ccc2[nH]1 ZINC000115836324 EG Annotated Anodyne COCCOc1cc(CC2CCNCC2)ccc1Br ZINC000115921212 EG Annotated Anodyne CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)no1 ZINC000116693179 EG Annotated Anodyne N#Cc1cn([C@@H]2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12 ZINC000116761319 EG Annotated Mild N#Cc1cn([C@H]2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12 ZINC000116761321 EG Annotated Mild C#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 ZINC000117618086 EG Annotated Mild O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(O)ccc3C[C@@H]21 ZINC000117618752 EG Annotated Anodyne N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1C2 ZINC000117624306 EG Annotated Mild N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 ZINC000117624308 EG Annotated Mild N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 ZINC000117624316 EG Annotated Mild O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(O)cc3C[C@@H]21 ZINC000117626667 EG Annotated Anodyne Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000117626837 EG Annotated Anodyne O=C1Cc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2N1 ZINC000117627725 EG Annotated Anodyne O=C1Cc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2N1 ZINC000117627734 EG Annotated Anodyne O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000117630906 EG Annotated Anodyne O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000117630908 EG Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2C2CC2)cc1 ZINC000117777829 EG Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2C2CC2)cc1 ZINC000117777832 EG Annotated Anodyne CCn1c(=O)c2cnc3c(Cl)cccc3c2n(C2CCCC2)c1=O ZINC000117804082 EG Annotated Bother COc1ccc(C)n2nc(CCc3cn(C)c(-c4ccccc4)n3)nc12 ZINC000117865020 EG Annotated Anodyne COc1ccc(C)n2nc(CCc3c[nH]c(-c4ccccc4)n3)nc12 ZINC000117871446 EG Annotated Anodyne N#Cc1ccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)cc1 ZINC000118605598 EG Annotated Mild CCOc1cc(CN2CCCCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734545 EG Annotated Anodyne COc1cc(CN(C)C2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734648 EG Annotated Anodyne Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn1-2 ZINC000118891406 EG Annotated Anodyne CCNc1ncnc2sc(C(=O)NCc3csc(C)n3)c(C)c12 ZINC000012020280 EG Annotated Anodyne Cc1cc(-c2nnc(CCC(=O)N(C)[C@H](C)c3cccs3)o2)no1 ZINC000012052965 EG Annotated Anodyne Cc1cc(-c2nnc(CCC(=O)N(C)[C@@H](C)c3cccs3)o2)no1 ZINC000012052968 EG Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccncc1 ZINC000012074135 EG Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccncc1 ZINC000012074138 EG Annotated Anodyne c1ccc([C@@H]2CCCN(Cc3nc(-c4cnccn4)no3)CC2)cc1 ZINC000012090618 EG Annotated Anodyne c1ccc([C@H]2CCCN(Cc3nc(-c4cnccn4)no3)CC2)cc1 ZINC000012090621 EG Annotated Anodyne COc1cccc(C[C@@]2(CO)CCCN(Cc3cnc(C)s3)C2)c1 ZINC000012111758 EG Annotated Anodyne COc1cccc(C[C@]2(CO)CCCN(Cc3cnc(C)s3)C2)c1 ZINC000012111759 EG Annotated Anodyne COc1ccc(CC2=NO[C@@H](CNC(=O)c3ccccc3C)C2)cc1 ZINC000012184866 EG Annotated Anodyne COc1ccc(CC2=NO[C@H](CNC(=O)c3ccccc3C)C2)cc1 ZINC000012184869 EG Annotated Anodyne O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCc1ccncn1 ZINC000012198347 EG Annotated Anodyne O=C(C[C@H](c1ccccc1)c1ccccc1F)NCc1ccncn1 ZINC000012198351 EG Annotated Anodyne Cc1ccc(N[C@@H]2CCCN(C(=O)c3snnc3C)C2)cc1C ZINC000012199643 EG Annotated Anodyne Cc1ccc(N[C@H]2CCCN(C(=O)c3snnc3C)C2)cc1C ZINC000012199648 EG Annotated Anodyne O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCCO1 ZINC000012204986 EG Annotated Anodyne CN(Cc1cn(C)nc1-c1cccc(Cl)c1)Cc1nccn1C ZINC000012297787 EG Annotated Anodyne CCCCc1nc2cc(C(=O)N(C)Cc3nnc(C)o3)ccc2o1 ZINC000012298702 EG Annotated Anodyne Cc1occc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012299160 EG Annotated Anodyne Cc1occc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012299161 EG Annotated Anodyne Cc1c[nH]c(CN2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)n1 ZINC000012300785 EG Annotated Anodyne Cc1c[nH]c(CN2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)n1 ZINC000012300788 EG Annotated Anodyne Cc1nc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)c[nH]1 ZINC000012301788 EG Annotated Anodyne Cc1nc(CN[C@H]2CCCN(c3nc4ccccc4s3)C2)c[nH]1 ZINC000012301791 EG Annotated Anodyne CN(Cc1ncc[nH]1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012302559 EG Annotated Anodyne CN(Cc1ncc[nH]1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012302561 EG Annotated Anodyne Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCCCC2)no1 ZINC000012303481 EG Annotated Anodyne Cc1nc[nH]c1CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000012304853 EG Annotated Anodyne O=C(NCc1ccon1)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000012305355 EG Annotated Anodyne Cc1nc(C)c(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1 ZINC000012305471 EG Annotated Anodyne Cc1nc(C)c(C(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)s1 ZINC000012305473 EG Annotated Anodyne COc1ccc(-c2cnnc(N3CCC[C@@H]3c3ccccn3)n2)cc1 ZINC000012306145 EG Annotated Anodyne COc1ccc(-c2cnnc(N3CCC[C@H]3c3ccccn3)n2)cc1 ZINC000012306146 EG Annotated Anodyne c1cncc(CNCc2cccnc2N2CCc3ccccc3C2)c1 ZINC000012307528 EG Annotated Anodyne CCN1CCC(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000012307582 EG Annotated Anodyne CCN1CCC(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000012307583 EG Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)C[C@@H]2CCCCO2)cc1F ZINC000012316182 EG Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)C[C@H]2CCCCO2)cc1F ZINC000012316183 EG Annotated Anodyne CCn1ccnc1CN(C)Cc1cn(C)nc1-c1ccccc1F ZINC000012316834 EG Annotated Anodyne COc1ccc(-c2[nH]ncc2CN[C@@H](C)c2cn(C)nc2C)c(F)c1 ZINC000012317633 EG Annotated Anodyne COc1ccc(-c2[nH]ncc2CN[C@H](C)c2cn(C)nc2C)c(F)c1 ZINC000012317634 EG Annotated Anodyne Cc1cc(C)c2cc(CNCc3ccccc3)c3nn(C)c(=O)n3c2c1 ZINC000012325225 EG Annotated Anodyne O=C(N1CCc2cc(O)ccc2[C@H]1c1cccs1)C(F)(F)F ZINC000012353784 EG Annotated Anodyne O=C(N1CCc2cc(O)ccc2[C@@H]1c1cccs1)C(F)(F)F ZINC000012353785 EG Annotated Anodyne N=C(N)c1ccc(/C=C2\CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1 ZINC000012354902 EG Annotated Mild CCCCc1nc2cc(C(=O)N(C)CCc3cn[nH]c3)ccc2o1 ZINC000012373315 EG Annotated Anodyne CSc1cccc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)c1 ZINC000012385705 EG Annotated Anodyne CSc1cccc(CN[C@H]2CCCc3nc(N(C)C)ncc32)c1 ZINC000012385706 EG Annotated Anodyne Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc(O)ccc3c(=O)c12 ZINC000012405797 EG Annotated Bother Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3ccc(O)cc3c(=O)c12 ZINC000012405799 EG Annotated Bother COc1ccc(CC2(CO)CCN(C3CCSCC3)CC2)cc1 ZINC000012429907 EG Annotated Anodyne CN(CC[C@@H]1CCCCO1)C(=O)CCc1nnc(C2CCCCC2)o1 ZINC000012431243 EG Annotated Anodyne CN(CC[C@H]1CCCCO1)C(=O)CCc1nnc(C2CCCCC2)o1 ZINC000012431244 EG Annotated Anodyne COCc1cc(CN(C)C(=O)c2oc3c(F)cccc3c2C)n[nH]1 ZINC000012431930 EG Annotated Anodyne Cc1cc(CN(C)Cc2cn(C)nc2-c2cccc(Cl)c2)n[nH]1 ZINC000012434034 EG Annotated Anodyne CN(Cc1cccnc1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 ZINC000012434053 EG Annotated Anodyne CCCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCC1 ZINC000012434097 EG Annotated Anodyne C[C@@H](Cc1ccccn1)NC(=O)CCc1nnc(C2CCCCC2)o1 ZINC000012434592 EG Annotated Anodyne C[C@H](Cc1ccccn1)NC(=O)CCc1nnc(C2CCCCC2)o1 ZINC000012434593 EG Annotated Anodyne CN(CC1CCN(CCc2ccccc2F)CC1)C[C@@H]1CCOC1 ZINC000012437482 EG Annotated Anodyne CN(CC1CCN(CCc2ccccc2F)CC1)C[C@H]1CCOC1 ZINC000012437484 EG Annotated Anodyne CCOC(=O)C1(CCOC)CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000012439079 EG Annotated Anodyne O=C(C1=CCCC1)N1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012439332 EG Annotated Anodyne COC1CCN(C(=O)c2cc(COc3cc(C)ccc3C)on2)CC1 ZINC000012439830 EG Annotated Anodyne Fc1cccc(-c2cnnc(NCc3ccc4nsnc4c3)n2)c1 ZINC000012443608 EG Annotated Anodyne Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)n[nH]1 ZINC000012446919 EG Annotated Anodyne Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)n[nH]1 ZINC000012446921 EG Annotated Anodyne Fc1cccc(CN2CCC[C@@]3(CCN(Cc4c[nH]cn4)C3)C2)c1F ZINC000012447604 EG Annotated Anodyne Fc1cccc(CN2CCC[C@]3(CCN(Cc4c[nH]cn4)C3)C2)c1F ZINC000012447607 EG Annotated Anodyne Cc1ccc(N[C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1C ZINC000012448432 EG Annotated Anodyne Cc1ccc(N[C@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1C ZINC000012448433 EG Annotated Anodyne COc1cccc(C[C@@]2(CO)CCCN(Cc3cccc(C)n3)C2)c1 ZINC000012448618 EG Annotated Anodyne COc1cccc(C[C@]2(CO)CCCN(Cc3cccc(C)n3)C2)c1 ZINC000012448619 EG Annotated Anodyne Cc1ccc(-c2nnc(CCC(=O)N(C)Cc3nccs3)o2)s1 ZINC000012458023 EG Annotated Anodyne CCCn1ncc(CN2CCC(CO)(C[C@@H]3CCCCO3)CC2)c1C ZINC000012458219 EG Annotated Anodyne CCCn1ncc(CN2CCC(CO)(C[C@H]3CCCCO3)CC2)c1C ZINC000012458221 EG Annotated Anodyne Cc1ccccc1CC[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC000012465224 EG Annotated Anodyne Cc1ccccc1CC[C@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC000012465227 EG Annotated Anodyne O=S(=O)(NC1CCCCCCC1)OCC(Cl)(Cl)Cl ZINC000012465850 EG Annotated Anodyne CC(C)(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 ZINC000012466350 EG Annotated Anodyne CC(C)CCNC(=O)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1 ZINC000012466622 EG Annotated Anodyne CC(C)CCNC(=O)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1 ZINC000012466626 EG Annotated Anodyne CC1CCC(C)(NS(=O)(=O)OCC(Cl)(Cl)Cl)CC1 ZINC000012472800 EG Annotated Anodyne CC(C)CN1CCC(=O)N([C@H](CN=[N+]=[N-])Cc2ccccc2)CC1 ZINC000012474229 EG Annotated Clean CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(Cc2ccccc2)CCC1=O ZINC000012474442 EG Annotated Clean CCCN1CCC(=O)N([C@H](COc2ccccc2)CC(C)C)CC1 ZINC000012474469 EG Annotated Anodyne O=C(CCC1CCN(C(=O)c2cncs2)CC1)Nc1ccccc1 ZINC000012474967 EG Annotated Anodyne O=C(Nc1ccc2c(c1)CN(C1CCSCC1)CC2)[C@@H]1CCCO1 ZINC000012475506 EG Annotated Anodyne O=C(Nc1ccc2c(c1)CN(C1CCSCC1)CC2)[C@H]1CCCO1 ZINC000012475510 EG Annotated Anodyne CCCCN1CC[C@H]2C=CC[C@@H](C(=O)Nc3ccccc3)[C@H]2C1=O ZINC000012478952 EG Annotated Anodyne CCOC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1c1ccccc1 ZINC000012479340 EG Annotated Anodyne Cc1ccc(-c2cnnc(NCc3nc(C)c4c(n3)CCCC4)n2)o1 ZINC000012480111 EG Annotated Anodyne NC(=O)C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000012482293 EG Annotated Anodyne C=CCOC(=O)C1=C[C@H](C(C)(C)C)[C@@H](CCCO)[C@H](OCC)O1 ZINC000012482749 EG Annotated Mild Cn1/c(=N/NC(=O)c2cccc(OC(F)F)c2)sc2ccccc21 ZINC000012484285 EG Annotated Reactive O=C(CO/N=C\c1ccccc1OC(F)F)NCc1cccs1 ZINC000012486148 EG Annotated Mild CN1/C(=C\C=N\NC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21 ZINC000012488975 EG Annotated Reactive CC[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000012493614 EG Annotated Mild in-man endogenous CC[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000012493620 EG Annotated Mild in-man endogenous CC(=O)N(C)c1cccc(-c2nnc3ccc(-c4ccccc4)nn23)c1 ZINC000012504169 EG Annotated Anodyne in-vivo CCOC(=O)c1cc(NC(=O)Nc2cc(C)ccn2)c(C)nc1C ZINC000012511599 EG Annotated Anodyne CN1C=C(C(F)(F)F)C=C/C1=C(\C#N)c1nnc2n1CCCCC2 ZINC000012558833 EG Annotated Reactive Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2CC(=O)N(C)c1ccccc1 ZINC000012559315 EG Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1N ZINC000012565657 EG Annotated Anodyne aggregator CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1N ZINC000012565658 EG Annotated Anodyne aggregator CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1N ZINC000012565659 EG Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1N ZINC000012565660 EG Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3cccc4cnccc34)C2)C1 ZINC000012577953 EG Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3cccc4cnccc34)C2)C1 ZINC000012577963 EG Annotated Anodyne COCCC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000012578474 EG Annotated Anodyne COCCC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000012578485 EG Annotated Anodyne Cc1ccccc1-c1cnnc(N(C)C[C@@H]2CCN(CC(C)C)C2)n1 ZINC000012581967 EG Annotated Anodyne Cc1ccccc1-c1cnnc(N(C)C[C@H]2CCN(CC(C)C)C2)n1 ZINC000012581973 EG Annotated Anodyne CCN(CCn1cccn1)c1nncc(-c2cc3ccccc3o2)n1 ZINC000012585182 EG Annotated Anodyne COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000012599547 EG Annotated Anodyne COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000012599549 EG Annotated Anodyne COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000012599553 EG Annotated Anodyne O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)N1CCCCC1 ZINC000012599954 EG Annotated Anodyne Cc1ccc(OCCC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000012599962 EG Annotated Anodyne Cc1ccc(OCCC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000012599963 EG Annotated Anodyne COc1ccc(/N=c2\scc(C)n2CCCN2CCCC2=O)cc1 ZINC000012603380 EG Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(N)s1 ZINC000012603642 EG Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(N)s1 ZINC000012603644 EG Annotated Anodyne COCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 ZINC000012613257 EG Annotated Anodyne COCC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 ZINC000012613261 EG Annotated Anodyne Cc1nc2ccccn2c1[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 ZINC000012616810 EG Annotated Anodyne CC(C)c1ccccc1/N=C1\SCCN1[C@@H]1CCS(=O)(=O)C1 ZINC000012633140 EG Annotated Mild CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@H]4[C@@H](C(=O)O)C1)[C@@H]32 ZINC000012655266 EG Annotated Anodyne CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4[C@@H](C(=O)O)C1)[C@@H]32 ZINC000012655269 EG Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(O)ccc1N ZINC000012656633 EG Annotated Anodyne CCCCc1nc2cc(C(=O)NCCc3c(C)n[nH]c3C)ccc2o1 ZINC000012701191 EG Annotated Anodyne O=C(CCc1nnc(CCC2CCCCC2)o1)N1CCSCC1 ZINC000012706099 EG Annotated Anodyne CC(=O)c1cccc(CN[C@H]2CC(=O)N(CC3CCCCC3)C2)c1 ZINC000012715073 EG Annotated Anodyne CC(=O)c1cccc(CN[C@@H]2CC(=O)N(CC3CCCCC3)C2)c1 ZINC000012715077 EG Annotated Anodyne Cc1nc(C(=O)O)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000012726761 EG Annotated Bother Cc1nc(C(=O)O)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000012726764 EG Annotated Bother O=C(NCc1ccco1)[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 ZINC000012727093 EG Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 ZINC000012727094 EG Annotated Anodyne CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1 ZINC000012727656 EG Annotated Mild CCCCCSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 ZINC000012732145 EG Annotated Anodyne C(=N\N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012733455 EG Annotated Mild c1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)c2c(c1)OCO2 ZINC000012754664 EG Annotated Anodyne c1cc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)c2c(c1)OCO2 ZINC000012754669 EG Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3C)C2)o1 ZINC000012835216 EG Annotated Anodyne COc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)o1 ZINC000012835218 EG Annotated Anodyne CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000013081199 EG Annotated Mild O=c1c(/C=N/c2cc(O)nc(S)n2)coc2c1ccc1ccccc12 ZINC000013108979 EG Annotated Mild CCOc1ccc2nc3c(cc2c1)CN(CCOC)/C(=N/C)S3 ZINC000013111077 EG Annotated Mild COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OC ZINC000013111210 EG Annotated Mild CC(=O)c1ccc(OC(C)C)c(CSc2nc(O)cc(O)n2)c1 ZINC000013111236 EG Annotated Anodyne CN1CCN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000013111243 EG Annotated Mild C(=N\N1CCN(Cc2cccc3ccccc23)CC1)\c1cccnc1 ZINC000013111278 EG Annotated Mild CCc1ccc(/C=N\NC(=O)c2ccc(Br)o2)s1 ZINC000013111592 EG Annotated Reactive O=S(=O)(N/N=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000013111596 EG Annotated Mild Cc1n[nH]c(=S)n1/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000013111847 EG Annotated Mild CC(=O)N(C(C)=O)c1nc(-c2ccccc2)cn1/N=C\c1ccccc1 ZINC000013113594 EG Annotated Mild C=CCc1ccccc1OCC(=O)N/N=C\c1ccccc1OCC ZINC000013113745 EG Annotated Reactive Clc1ccc(-c2nc(/C=N\N3CCOCC3)c3ccccn23)cc1 ZINC000013114168 EG Annotated Mild O=C(N/N=C\c1ccccn1)c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000013115026 EG Annotated Reactive NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H]([C@H]1CC=CCC1)N2 ZINC000013118279 EG Annotated Clean NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H]([C@@H]1CC=CCC1)N2 ZINC000013118280 EG Annotated Clean NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H]([C@@H]1CC=CCC1)N2 ZINC000013118281 EG Annotated Clean C=CCOC(=O)C1=C[C@H](c2ccccc2)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013118556 EG Annotated Mild O=C(O)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118565 EG Annotated Anodyne O=C(O)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013118577 EG Annotated Anodyne Cc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c2cc(=O)ccc1-2 ZINC000013118799 EG Annotated Anodyne COC1=C/C(=C/Nn2c(C3CCCCC3)n[nH]c2=S)C=CC1=O ZINC000013118941 EG Annotated Mild CCC(=O)Nc1ccc(C(=O)NN/C=C2\C(C)=Nc3ccccc32)cc1 ZINC000013118973 EG Annotated Reactive Cc1ccc(-c2cc(C(=O)NN/C=C3\C=Nc4ccccc43)[nH]n2)cc1 ZINC000013118992 EG Annotated Reactive O=C(Cc1nc2ccccc2oc1=O)c1ccc(Br)cc1 ZINC000013119005 EG Annotated Anodyne CCOC1=C/C(=C/C=C2/C=C(C(=O)O)c3ccccc3N2)C=CC1=O ZINC000013119055 EG Annotated Mild Cc1nc(C/C(NNc2ccccc2)=C2\C=CC(=O)C=C2O)cs1 ZINC000013119076 EG Annotated Mild COC1=C/C(=C/NN2[C@@H](C)CCC[C@@H]2C)C=C(Br)C1=O ZINC000013119083 EG Annotated Mild COC1=C/C(=C/NN2[C@H](C)CCC[C@H]2C)C=C(Br)C1=O ZINC000013119086 EG Annotated Mild COc1ccc(N2CCN(c3cc(C)c4ccc(=O)cc-4[nH]3)CC2)cc1 ZINC000013119871 EG Annotated Clean N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3 ZINC000013119926 EG Annotated Mild COC1=C/C(=C/NNc2cccc(C)c2)C=C(Br)C1=O ZINC000013120270 EG Annotated Mild CNc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1ccc2c(c1)OCO2 ZINC000013120354 EG Annotated Mild O=C(/N=N\c1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1 ZINC000013121636 EG Annotated Clean O=C(/N=N\c1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1 ZINC000013121637 EG Annotated Clean O=C1C=CC=C/C1=C\NNc1ccnc(SCc2ccccc2)n1 ZINC000013122257 EG Annotated Mild O=C1C=CC=C/C1=C\Nn1cnn(Cc2ccccc2Cl)c1=S ZINC000013122260 EG Annotated Mild Cc1ccccc1NC(=O)CCC(=O)NN/C=C1\C=Nc2ccccc21 ZINC000013122276 EG Annotated Reactive O=C1c2ccccc2N/C(=C\C=C2/C=Nc3ccccc32)N1CCO ZINC000013122402 EG Annotated Anodyne CC(C)N1C(=O)/C(=C\c2nc3ccccc3c(=O)[nH]2)c2ccccc21 ZINC000013122451 EG Annotated Anodyne O=C(Cn1ccc(C(F)(F)F)n1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000013123016 EG Annotated Clean CC(=O)c1sc(NN/C=C2\C(=O)C=Cc3ccccc32)nc1C ZINC000013123101 EG Annotated Mild COC1=CC=C/C(=C\Nn2c(C3CCCCC3)n[nH]c2=S)C1=O ZINC000013123190 EG Annotated Mild O=C1C=C/C(=C\NN=C(c2ccccc2)c2ccccc2)C(O)=C1O ZINC000013123253 EG Annotated Mild O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/C(S)=N\C[C@@H]3CCCO3)c2c1 ZINC000013123275 EG Annotated Mild COC1=CC=C/C(=C\NNc2ncc(C(F)(F)F)cc2Cl)C1=O ZINC000013123297 EG Annotated Mild O=C1C=CC(=C2C=C(C(=O)Nc3ccccc3C(F)(F)F)NO2)C=C1 ZINC000013123445 EG Annotated Mild COc1cccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nnnc3N2)c1 ZINC000013123743 EG Annotated Anodyne COc1cccc([C@H]2C[C@@H](c3ccccc3Cl)n3nnnc3N2)c1 ZINC000013123744 EG Annotated Anodyne COc1cccc([C@H]2C[C@H](c3ccccc3Cl)n3nnnc3N2)c1 ZINC000013123746 EG Annotated Anodyne COC1=CC=C/C(=C\NNc2cc(C)nc3ccc(OC)cc23)C1=O ZINC000013124067 EG Annotated Mild O=C1C([N+](=O)[O-])=CC=C/C1=C\NN=C1c2ccccc2-c2ccccc21 ZINC000013124338 EG Annotated Mild COc1cc(NN/C(C)=C2/C=CC(=O)C(C)=C2)nc(-c2ccccc2)n1 ZINC000013124356 EG Annotated Mild CN(N/C=C1\C=CC(=O)C=C1O)c1ncc(C(F)(F)F)cc1Cl ZINC000013125382 EG Annotated Mild O=C1C=CC(=C2NN=C(Nc3cccc(O)c3)c3ccccc32)C=C1 ZINC000013125671 EG Annotated Mild C[C@@H]1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C ZINC000013125731 EG Annotated Clean C[C@H]1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C ZINC000013125732 EG Annotated Clean in-vitro biogenic O=C1C=CC(=C2NN=C(Nc3ccc(O)cc3)c3ccccc32)C=C1 ZINC000013125742 EG Annotated Mild CC(NNC(=O)C(c1ccccc1)c1ccccc1)=C1C=CC(=O)C=C1 ZINC000013126205 EG Annotated Reactive Cc1nc2ccccc2c(=O)n1N/C=C1\C=Cc2ccccc2C1=O ZINC000013126295 EG Annotated Mild O=C1C=CC([N+](=O)[O-])=C/C1=C\NN=C1c2ccccc2-c2ccccc21 ZINC000013126510 EG Annotated Mild O=C1C=CC2=C(c3ccccc3C(=O)O)Nc3ccc(O)cc3OC2=C1 ZINC000013126644 EG Annotated Mild COC1=CC=C/C(=C\NNC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000013126673 EG Annotated Reactive O=C(NN/C=C1\C=Nc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000013126675 EG Annotated Reactive N#Cc1c(N/C=C2\C=CC(=O)C=C2O)sc2c1C1CCN2CC1 ZINC000013126857 EG Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C1\C=NN=C1c1ccccc1 ZINC000013126933 EG Annotated Anodyne O=C(NN/C=C1\C=Nc2ccccc21)c1ccc(Br)cc1 ZINC000013130823 EG Annotated Reactive OCCCc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000013131151 EG Annotated Anodyne OCCCc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000013131152 EG Annotated Anodyne OCCCc1nc2n(n1)[C@H](c1cccs1)CC(c1ccccc1)=N2 ZINC000013131182 EG Annotated Anodyne OCCCc1nc2n(n1)[C@@H](c1cccs1)CC(c1ccccc1)=N2 ZINC000013131184 EG Annotated Anodyne COc1ccc(CSc2nc(O)cc(=O)n2CC(C)C)cc1F ZINC000013135973 EG Annotated Anodyne Cc1cccc(N/N=C(\C(N)=O)C2=NC(C)(C)Cc3ccccc32)c1 ZINC000013142425 EG Annotated Mild C[C@@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C\N(C)C)nn12 ZINC000013143159 EG Annotated Mild C[C@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C\N(C)C)nn12 ZINC000013143160 EG Annotated Mild O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000013146623 EG Annotated Anodyne Cc1ccc(CC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1C ZINC000013146987 EG Annotated Anodyne Cc1ccc(CC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1C ZINC000013146988 EG Annotated Anodyne O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1ccncc1 ZINC000013147055 EG Annotated Reactive COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000013147310 EG Annotated Anodyne COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000013147311 EG Annotated Anodyne CC[C@@H]1CCCCN1[C@@H]1Sc2ccc(C(=O)OC)cc2NC1=O ZINC000013147403 EG Annotated Anodyne COc1cc(/N=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N ZINC000013151850 EG Annotated Clean CC(C)c1ccccc1/N=C1\SCCN1[C@H]1CCS(=O)(=O)C1 ZINC000013152635 EG Annotated Mild O=[N+]([O-])c1cccc(/N=N\N(CCO)c2cccc([N+](=O)[O-])c2)c1 ZINC000013154787 EG Annotated Clean CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1[C@@H]2O ZINC000013211663 EG Annotated Anodyne NNC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12 ZINC000013218764 EG Annotated Reactive CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1[C@H]2O ZINC000013219182 EG Annotated Anodyne COc1cc(-c2c(C)c(C)nc(OC)c2C#N)cc(OC)c1OC ZINC000013220965 EG Annotated Mild CO/N=C/c1c(Sc2ccccc2C(=O)OC)nc2sccn12 ZINC000013283258 EG Annotated Mild CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@]23C ZINC000013298258 EG Annotated Mild in-vitro CC(C)(O)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000013299474 EG Annotated Anodyne COc1c2c3c(c4c(COC(C)=O)coc14)C(=O)OC[C@H]3CC=C2 ZINC000013299895 EG Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@@H]1CC2 ZINC000013302511 EG Annotated Clean COc1cc(OC(C)=O)c2c(OC(C)=O)c(C(C)=O)c(C)cc2c1 ZINC000013307189 EG Annotated Anodyne COc1c(CC=C(C)C)c2c(c(O)c1C(C)=O)C[C@H](C(C)(C)O)O2 ZINC000013307721 EG Annotated Anodyne in-vitro biogenic CC(C)=CC[C@@]12C(=O)C=C[C@@](O)(CC[C@H]1c1ccc(O)cc1)C2=O ZINC000013307984 EG Annotated Mild COC(=O)c1cncc(CC[C@H](C)c2cncc(C(=O)OC)c2C)c1 ZINC000013310783 EG Annotated Anodyne C=CC[C@]1([C@@H](C)Cc2ccc(O)c(OC)c2)C=C2OCOC2=CC1=O ZINC000013311457 EG Annotated Mild COc1cc2c(cc1[C@@H]1COc3cc4occc4cc3[C@@H]1O)OCO2 ZINC000013312517 EG Annotated Anodyne COc1cc2c(cc1[C@H]1COc3cc4occc4cc3[C@@H]1O)OCO2 ZINC000013312519 EG Annotated Anodyne COc1cc2c(cc1[C@@H]1COc3cc4occc4cc3[C@H]1O)OCO2 ZINC000013312521 EG Annotated Anodyne COc1cc2c(cc1[C@H]1COc3cc4occc4cc3[C@H]1O)OCO2 ZINC000013312523 EG Annotated Anodyne CC(=O)OC[C@@]12CC[C@@H](C(C)C)[C@@H](OC(C)=O)[C@@H]1C(C)=CC(=O)C2 ZINC000013321725 EG Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C/C(CO)=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000013323302 EG Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000013323885 EG Annotated Mild in-man biogenic COc1ccc(Cc2coc3c(C)c(O)c(C)c(O)c3c2=O)cc1 ZINC000013327523 EG Annotated Anodyne in-vitro C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@@H]1O ZINC000013330195 EG Annotated Mild C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@@H]1O ZINC000013330203 EG Annotated Mild COC(=O)c1cc(OC)c(Cl)c2oc3cc(C)cc(O)c3c(=O)c12 ZINC000013335398 EG Annotated Bother C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(\C)CCC1=O ZINC000013335712 EG Annotated Mild in-vitro C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C ZINC000013337079 EG Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)O ZINC000013337081 EG Annotated Mild in-man C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)CC(C)C ZINC000013337082 EG Annotated Mild in-man C=C1[C@@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)O ZINC000013337084 EG Annotated Mild in-man CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C(=O)[C@@H]2OC3=O ZINC000013337165 EG Annotated Clean COC(=O)c1sc2ccc(O)c3c2c1-c1cccc(O)c1C3=O ZINC000013337183 EG Annotated Anodyne C=Cc1cncc2c(=O)n3c(cc12)-c1[nH]c2ccc(O)cc2c1CC3 ZINC000013360127 EG Annotated Anodyne COc1cccc2c(=O)n3c(nc12)[C@@H](c1ccccc1N(C)C)CC3 ZINC000013360817 EG Annotated Anodyne COc1cc2ccnc3c2c(c1O)-c1ccc(OC)c(OC)c1C3=O ZINC000013365912 EG Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] ZINC000013366166 EG Annotated Bother COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] ZINC000013366169 EG Annotated Bother CCN(C(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@H]1[C@@H]3C2)c1c(C)cc(C)cc1C ZINC000013369801 EG Annotated Anodyne O=C1NC(=O)[C@H]2c3c[nH]c4cccc(c34)-c3[nH]c4ccccc4c3[C@@H]12 ZINC000013372372 EG Annotated Anodyne O=c1[nH]c(=O)c2c3c([nH]c4ccccc43)oc3cccc4[nH]cc(c1=2)c43 ZINC000013372409 EG Annotated Bother COc1ccc2cc3c4c(c(CO)c(OC)c(OC)c4c2c1)C(=O)N3 ZINC000013372592 EG Annotated Bother COc1c2c3c(c4c1OCO4)-c1ccccc1[C@@H]1OC(=O)N(CC2)[C@H]31 ZINC000013373025 EG Annotated Anodyne in-vitro biogenic COc1c2c3c(c4c1OCO4)-c1ccccc1[C@@H]1OC(=O)N(CC2)[C@@H]31 ZINC000013373027 EG Annotated Anodyne CC[C@@]12CCc3[nH]c4ccccc4c3CC(=O)O[C@@H](C1)C(O)=NC2 ZINC000013373721 EG Annotated Anodyne in-man CC[C@]12CCc3[nH]c4ccccc4c3CC(=O)O[C@@H](C1)C(O)=NC2 ZINC000013373722 EG Annotated Anodyne in-man CC[C@@]12CCc3[nH]c4ccccc4c3CC(=O)O[C@H](C1)C(O)=NC2 ZINC000013373723 EG Annotated Anodyne in-man CC[C@]12CCc3[nH]c4ccccc4c3CC(=O)O[C@H](C1)C(O)=NC2 ZINC000013373724 EG Annotated Anodyne in-man CC(=O)N1c2c(O)cccc2[C@@]23CCN4CCCC5(CCC12CC5)[C@H]43 ZINC000013373736 EG Annotated Anodyne COc1cccc2c1N(C=O)C13CCC4(CCCN5CC[C@@]21[C@H]54)CC3 ZINC000013373743 EG Annotated Anodyne C/C=C1\[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13 ZINC000013373756 EG Annotated Anodyne in-man CC[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)c(O)c2)c[nH]c1=O ZINC000013373866 EG Annotated Clean in-vitro O=c1c2c(O)c(Cl)ccc2oc2cc3c(c(O)c12)[C@H]1C=CO[C@H]1O3 ZINC000013374544 EG Annotated Bother CCOC(C)(C)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 ZINC000013374941 EG Annotated Anodyne CC1(C)CCC[C@]2(C)c3c(c(O)c(C=O)c4c3[C@@H](O)OC4=O)CC[C@@H]12 ZINC000013376635 EG Annotated Anodyne C[C@@H]1C2=C(CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]14)C(=O)O[C@H]2c1ccoc1 ZINC000013378509 EG Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N+]1(C)C ZINC000013378606 EG Annotated Bother in-vivo CC[C@@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 ZINC000013379071 EG Annotated Clean in-vitro OC[C@@H](O)C#CC#CCCCCCCCC/C=C/Br ZINC000013379569 EG Annotated Mild OC[C@H](O)C#CC#CCCCCCCCC/C=C/Br ZINC000013379570 EG Annotated Mild CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)CC3 ZINC000013379894 EG Annotated Clean CN1CC[C@@]23C4=Nc5ccccc5[C@]2(CCN4)C1=Nc1ccccc13 ZINC000013382760 EG Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@@H]2OC3=O ZINC000013383634 EG Annotated Clean in-man CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](O)[C@@H]2OC3=O ZINC000013383635 EG Annotated Clean in-man CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@](O)(OC3)C2=O ZINC000013383642 EG Annotated Clean COc1cc2oc(C)cc(=O)c2c(O)c1CCC1=CC(=O)C[C@H](C)O1 ZINC000013385302 EG Annotated Mild in-vitro biogenic C[n+]1cc2c3c(cc(O)c2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000013385550 EG Annotated Bother COc1cc2c(c(OC)c1Cl)C(=O)c1c(O)cc(C)cc1C2=O ZINC000013386749 EG Annotated Clean COc1cc2c(c(O)c1Cl)C(=O)c1c(OC)cc(C)cc1C2=O ZINC000013386750 EG Annotated Clean C[n+]1ccc2c([nH]c3ccccc32)c1C[C@@]1(C)CC[C@H](C(C)(C)O)O1 ZINC000013396751 EG Annotated Anodyne O=C1CC[C@H](c2ccc(O)c3c2C(=O)CC[C@@H]3O)c2cccc(O)c21 ZINC000013398699 EG Annotated Anodyne COc1cc2c(c3c1[nH]c1ccccc13)C[C@@H](C(C)(C)O)OC2=O ZINC000013398947 EG Annotated Anodyne COc1cc2c(c3c1[nH]c1ccccc13)C[C@H](C(C)(C)O)OC2=O ZINC000013398951 EG Annotated Anodyne C[C@@H]1CC[C@H](O)[C@@](C)(O)[C@@]1(C)CCc1ccc2c(c1)C(=O)C=CC2=O ZINC000013407914 EG Annotated Mild C[C@@H]1CC[C@@H](O)[C@@](C)(O)[C@@]1(C)CCc1ccc2c(c1)C(=O)C=CC2=O ZINC000013407923 EG Annotated Mild COc1ccc(C[C@@H]2c3c(ccc(OC)c3O)CC[N+]2(C)C)cc1O ZINC000013410017 EG Annotated Clean C=CC(C)(C)c1c(O)cc2oc3c(O)c(O)ccc3c(=O)c2c1O ZINC000013412058 EG Annotated Mild in-vitro biogenic COc1cc2c(cc1OC)Oc1c(O)ccc3c1[C@H](C2)[N+](C)([O-])CC3 ZINC000013412150 EG Annotated Bother CC(=O)C[C@]1(O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(C)cccc3c21 ZINC000013431681 EG Annotated Mild C=C1C[C@H](OC(=O)CC(C)C)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O ZINC000013432617 EG Annotated Mild COc1ccc2c(c1)C(=O)c1c(N)c(OC)c(OC)c3ccnc-2c13 ZINC000013432679 EG Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)C(=O)c1c(O)c(OC)c(OC)c3ccnc-2c13 ZINC000013432682 EG Annotated Anodyne COc1cc2c(cc1O)cc1c3c(cc(OC)c(O)c32)CCN1C ZINC000013434340 EG Annotated Bother COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(=NCC3)C2 ZINC000013434343 EG Annotated Anodyne COc1cc2cc(C)c(C)c(C3=C[C@H](OC)[C@H](O)C=C3)c2cc1O ZINC000013434349 EG Annotated Anodyne in-man COc1cc2cc(C)c(C)c(C3=C[C@@H](OC)[C@H](O)C=C3)c2cc1O ZINC000013434351 EG Annotated Anodyne in-man COc1cc2cc(C)c(C)c(C3=C[C@H](OC)[C@@H](O)C=C3)c2cc1O ZINC000013434352 EG Annotated Anodyne in-man COc1cc2cc(C)c(C)c(C3=C[C@@H](OC)[C@@H](O)C=C3)c2cc1O ZINC000013434353 EG Annotated Anodyne in-man COc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OCC1CC1 ZINC000013438951 EG Annotated Anodyne COc1ccc([C@H](C)Cn2ccnc2NC#N)cc1OCC1CC1 ZINC000013438956 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(-c3cccs3)c2c1 ZINC000013439745 EG Annotated Bother CC(=O)N1CCc2c(sc(N)c2C(=O)c2ccccc2Cl)C1 ZINC000013442658 EG Annotated Anodyne CC(=O)/C=C/c1cc(O)c(O)c(Br)c1Br ZINC000013450166 EG Annotated Mild C[C@H](C=O)Cc1cc(O)c(O)c(Br)c1Br ZINC000013450178 EG Annotated Mild C/C(C=O)=C\c1cc(O)c(O)c(Br)c1Br ZINC000013450205 EG Annotated Reactive C[N+](C)(C)CCc1cc(Br)c(O)c(Br)c1 ZINC000013450419 EG Annotated Bother O=C(NCCc1cnc[nH]1)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 ZINC000013451357 EG Annotated Anodyne c1ccc2c(c1)c(C1=NC[C@@]3(CN4CCC3CC4)O1)cn2CC1CC1 ZINC000013451726 EG Annotated Anodyne c1ccc2c(c1)c(C1=NC[C@]3(CN4CCC3CC4)O1)cn2CC1CC1 ZINC000013451730 EG Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1c(Cl)c(O)c(Cl)c(O)c1C2=O ZINC000013451760 EG Annotated Clean C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000013456992 EG Annotated Anodyne in-vitro biogenic Cn1c(=O)c2cc3c(cc2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000013458939 EG Annotated Bother COc1c(O)ccc2c1c(=O)n(C)c1c3cc4c(cc3ccc21)OCO4 ZINC000013458985 EG Annotated Bother CC[C@H]1C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO ZINC000013459068 EG Annotated Bother C=CC[C@]1(OC)C=C2C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000013460496 EG Annotated Mild C=CC[C@]1(OC)C=C2C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000013460500 EG Annotated Mild COc1cc([C@H]2Oc3c(OC)cc(C=O)cc3[C@@H]2C)cc(O)c1OC ZINC000013462145 EG Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000013465468 EG Annotated Anodyne CN(C)CCONC[C@H]1CC[C@]2(O)C[C@@H](c3ccccc3)CC[C@]12C ZINC000013471877 EG Annotated Anodyne Cc1cccc([C@H]2CC[C@]3(C)[C@@H](/C=N/OCCN)CC[C@]3(O)C2)c1 ZINC000013471880 EG Annotated Mild CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](c3cccnc3)CC[C@]12C ZINC000013471884 EG Annotated Mild CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](c3ccncc3)CC[C@]12C ZINC000013471885 EG Annotated Mild CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nnn[nH]1 ZINC000013472130 EG Annotated Anodyne Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(O)c2)o1 ZINC000013473011 EG Annotated Anodyne CNc1nc(N)c2c(n1)N[C@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000013474459 EG Annotated Anodyne CNc1nc(N)c2c(n1)N[C@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000013474460 EG Annotated Anodyne CNc1nc(N)c2c(n1)N[C@@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000013474461 EG Annotated Anodyne CNc1nc(N)c2c(n1)N[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000013474462 EG Annotated Anodyne Nc1nc2c(c(N3CCCCC3)n1)N[C@H](c1ccc(Cl)cc1)CN2 ZINC000013474485 EG Annotated Anodyne Nc1nc2c(c(N3CCCCC3)n1)N[C@@H](c1ccc(Cl)cc1)CN2 ZINC000013474486 EG Annotated Anodyne CCN(CC)c1nc(N)nc2c1N[C@H](c1ccc(Cl)cc1)CN2 ZINC000013474495 EG Annotated Anodyne CCN(CC)c1nc(N)nc2c1N[C@@H](c1ccc(Cl)cc1)CN2 ZINC000013474496 EG Annotated Anodyne CSC[C@H]1C(=S)Nc2ccc(O)cc2N1C(=O)OC(C)C ZINC000013474533 EG Annotated Anodyne Cc1cccc2oc(-c3ccccc3Cl)c/c(=N\N=C(N)N)c12 ZINC000013474680 EG Annotated Mild Cc1cccc(C)c1Nc1nc2c3c(ccc2[nH]1)C(C)(C)C(=O)NC3=O ZINC000013475184 EG Annotated Anodyne CC[C@@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1 ZINC000013475234 EG Annotated Anodyne CC[C@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1 ZINC000013475235 EG Annotated Anodyne CC1=CS[C@@](O)(c2ccc(-c3ccccc3)cc2)c2noc(=O)n21 ZINC000013475258 EG Annotated Anodyne CC1=CS[C@](O)(c2ccc(-c3ccccc3)cc2)c2noc(=O)n21 ZINC000013475259 EG Annotated Anodyne CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCC)cc3)nn12 ZINC000013475527 EG Annotated Anodyne CCCCc1nc2[nH]cnc2c2nc(-c3ccc(N(C)C)cc3)nn12 ZINC000013475531 EG Annotated Anodyne NC1=N[C@@H](c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1 ZINC000013476296 EG Annotated Anodyne NC1=N[C@H](c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1 ZINC000013476298 EG Annotated Anodyne Cc1nc(C(=O)NC2CC2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000013478235 EG Annotated Anodyne Cc1nc(C(=O)NC2CC2)sc1[C@]1(C)CC(c2ccccc2)=NO1 ZINC000013478238 EG Annotated Anodyne O=C(NCc1ccco1)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1 ZINC000013478541 EG Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1 ZINC000013478543 EG Annotated Anodyne CC(C)/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1 ZINC000013479197 EG Annotated Mild COc1cc2c(cc1O)c(=O)n(C)c1c3cc4c(cc3ccc21)OCO4 ZINC000013480065 EG Annotated Bother in-vitro biogenic CS/C=C/C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000013480086 EG Annotated Anodyne CC(C)CC(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000013480088 EG Annotated Anodyne CC(C)CC(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000013480089 EG Annotated Anodyne in-vitro biogenic CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3 ZINC000013480263 EG Annotated Anodyne Cn1c(=N)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000013480267 EG Annotated Bother CC(C)=CCOc1cc(O)c2c(O)c3c(cc2c1)C[C@](C)(O)CC3=O ZINC000013480349 EG Annotated Anodyne CC(C)=CCOc1cc(O)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC3=O ZINC000013480350 EG Annotated Anodyne in-vitro biogenic COc1cc(OC)c2c(O)c3c(c(OC)c2c1)O[C@@H](C)[C@@H](C)C3=O ZINC000013480479 EG Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(OC)c2c1)O[C@@H](C)[C@H](C)C3=O ZINC000013480480 EG Annotated Anodyne C[C@H]1Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2C1(C)C ZINC000013480662 EG Annotated Clean C[C@@H]1Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2C1(C)C ZINC000013480663 EG Annotated Clean C[C@@H]1Oc2cc(O)c3c(=O)c4cc(O)c(O)cc4oc3c2C1(C)C ZINC000013480669 EG Annotated Clean CC(C)C1=CC2=CC=C3C(C)(C)[C@@H](O)C(=O)C[C@]3(C)C2=C(O)C1=O ZINC000013480768 EG Annotated Mild CC(C)c1cc2c(cc1O)[C@@]1(C)C(=O)CCC(C)(C)[C@@H]1[C@H](O)C2=O ZINC000013480838 EG Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]1(C)C(=O)CCC(C)(C)[C@H]1[C@H](O)C2=O ZINC000013480840 EG Annotated Anodyne C[C@H](CO)c1cc2c(cc1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O ZINC000013480845 EG Annotated Anodyne COc1cc(OC)c2c(c1)[C@@H](Cc1ccc(OC)c(OC)c1)OC2=O ZINC000013481916 EG Annotated Anodyne C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O ZINC000013483441 EG Annotated Mild C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O ZINC000013484139 EG Annotated Anodyne C[C@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O ZINC000013484140 EG Annotated Anodyne C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O ZINC000013484141 EG Annotated Anodyne C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O ZINC000013484142 EG Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]2(C)C(CO)=CCC[C@@H]2[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000013484346 EG Annotated Anodyne CC(C)C1=C2CC[C@](C)(OC(=O)[C@H]3OC3(C)C)C(=O)C[C@@]2(C)CC1=O ZINC000013484578 EG Annotated Mild CC(C)=CCc1cc(/C=C/C(=O)O)c(O)c(C/C=C(\C)CO)c1O ZINC000013485398 EG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CCC(=O)[C@@H](C)[C@]12C ZINC000013486229 EG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000013486230 EG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CCC(=O)[C@@H](C)[C@]12C ZINC000013486231 EG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000013486232 EG Annotated Anodyne in-man C=C1CC[C@@H](OC(C)=O)[C@]2(C)C[C@]3(OCC)OC(=O)C(C)=C3C[C@@H]12 ZINC000013486867 EG Annotated Mild CSc1nccc(-c2c(-c3ccccc3)nc3nc(N)ccn23)n1 ZINC000013487231 EG Annotated Anodyne C=CCN1C(=S)c2c(C)c3c(OC)cc(OC)cc3n2C1=S ZINC000013487569 EG Annotated Mild c1ccc(Cc2ccc(OCCn3cnc4cncnc43)cc2)cc1 ZINC000013488420 EG Annotated Anodyne c1ccc(Cc2ccc(OCCn3cnc4ncncc43)cc2)cc1 ZINC000013488421 EG Annotated Anodyne c1ccc(Cc2ccc(OCCn3cncc4ncnc3-4)cc2)cc1 ZINC000013488422 EG Annotated Anodyne c1ccc(Cc2ccc(OCCn3cnc4ncnc-4c3)cc2)cc1 ZINC000013488423 EG Annotated Anodyne O=C(O)c1cc2cc(O)c(O)cc2c([C@@H](O)c2ccccc2Cl)n1 ZINC000013490158 EG Annotated Clean O=C(O)c1cc2cc(O)c(O)cc2c([C@H](O)c2ccccc2Cl)n1 ZINC000013490159 EG Annotated Clean COC(=O)[C@@H](Sc1cnc(NC(C)=O)s1)C1CCCCC1 ZINC000013490972 EG Annotated Anodyne COC(=O)[C@H](Sc1cnc(NC(C)=O)s1)C1CCCCC1 ZINC000013490973 EG Annotated Anodyne CC(=O)CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12 ZINC000013492009 EG Annotated Anodyne CN(C)CCCNC1=Nc2cccnc2Nc2ccc(Cl)cc21 ZINC000013492100 EG Annotated Anodyne O=C(OCc1cccs1)c1cnn2c1nnc1ccc(Cl)cc12 ZINC000013492637 EG Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000013509031 EG Annotated Mild in-vitro CC(=O)O/C=C(/CC=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000013520385 EG Annotated Mild CC(C)=CCCC(=O)Nc1cccnc1C(=O)Nc1nccs1 ZINC000013521876 EG Annotated Anodyne O=C(Nc1nccs1)c1ncccc1OC(=O)C1CCCCC1 ZINC000013521909 EG Annotated Anodyne C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccc(O)cc1 ZINC000013524336 EG Annotated Reactive O=C(OCCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1 ZINC000013524812 EG Annotated Bother COC(=O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3)oc12 ZINC000013526401 EG Annotated Bother O=C(O)Cc1cccc2c(=O)c3c(oc12)-c1ccccc1OC(=O)N3 ZINC000013526468 EG Annotated Anodyne NCCOCCOCCNCc1c2ccccc2cc2ccccc12 ZINC000013529675 EG Annotated Bother CCCN(CCC)C(=O)/C(=C\[C@@H]1CCCN1)c1ccc(OC)cc1 ZINC000013530035 EG Annotated Anodyne CCCN(CCC)C(=O)/C(=C\[C@H]1CCCN1)c1ccc(OC)cc1 ZINC000013530038 EG Annotated Anodyne CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCCO ZINC000013533589 EG Annotated Anodyne O=C1Nc2ccc(F)c3c(OCCCO)cc(-c4ccc[nH]4)c1c23 ZINC000013535956 EG Annotated Anodyne COc1ccc(COc2ccccc2-c2cc(CCO)on2)cc1 ZINC000013536246 EG Annotated Anodyne COc1cc(OC)c2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12 ZINC000013536400 EG Annotated Anodyne O=C(Nc1n[nH]c2nc(-c3ccc(O)c(Cl)c3)ccc12)C1CC1 ZINC000013538574 EG Annotated Anodyne O=C(CCNC(=O)c1ccccc1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000013543926 EG Annotated Clean Fc1ccccc1NC(=S)Nc1ccc(CN2CCOCC2)cc1 ZINC000013544733 EG Annotated Anodyne CCN(CC)C(=O)CN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1 ZINC000013553557 EG Annotated Anodyne CCN(CC)C(=O)CN1C(=O)Nc2ccccc2[C@H]1c1ccccc1 ZINC000013553558 EG Annotated Anodyne CNNC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000013553605 EG Annotated Reactive COc1cc2c(cc1OC)C(c1ccccc1)=NN(C)C(=S)C2 ZINC000013555783 EG Annotated Anodyne CC[C@@H](C)Sc1nc(Cc2cccc([N+](=O)[O-])c2)c(C)c(=O)[nH]1 ZINC000013556483 EG Annotated Bother CC[C@H](C)Sc1nc(Cc2cccc([N+](=O)[O-])c2)c(C)c(=O)[nH]1 ZINC000013556485 EG Annotated Bother CCC[C@@]1(CC(=O)O)c2ccc(Cl)cc2-c2nc(O)c(O)nc21 ZINC000013558314 EG Annotated Anodyne CCC[C@]1(CC(=O)O)c2ccc(Cl)cc2-c2nc(O)c(O)nc21 ZINC000013558315 EG Annotated Anodyne COC1=CC(=O)c2c(c(CO)c(-c3ccc4ccccc4c3)n2C)C1=O ZINC000013558517 EG Annotated Mild COc1cc2c3c4c(cc5c3n(c2cc1OC)C(=O)CC5)CNCC4 ZINC000013558721 EG Annotated Anodyne COc1cc2c3c4c(cc5c3n(c2cc1OC)C(=O)CC5)CCNC4 ZINC000013558734 EG Annotated Anodyne CC(=O)O/N=C1/C(c2c(O)[nH]c3cc(F)ccc23)=Nc2ccccc21 ZINC000013559466 EG Annotated Mild COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c2c1OCC2 ZINC000013560650 EG Annotated Anodyne CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000013561111 EG Annotated Anodyne Cn1c(O)c(/N=N\C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 ZINC000013564141 EG Annotated Clean Cn1c(O)c(/N=N\C(=O)[C@H]2COc3ccccc3O2)c2ccccc21 ZINC000013564143 EG Annotated Clean Cc1cccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccco2)c1 ZINC000013572166 EG Annotated Anodyne C[C@@H]1CC(C)(C)NC(=S)N1CCCC(=O)Nc1ccccc1F ZINC000013573082 EG Annotated Anodyne C[C@H]1CC(C)(C)NC(=S)N1CCCC(=O)Nc1ccccc1F ZINC000013573085 EG Annotated Anodyne COc1cc(N/C(=N/C2CCCC2)NC#N)cc(C(F)(F)F)c1 ZINC000013580110 EG Annotated Mild N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1 ZINC000013580865 EG Annotated Mild C/C(=N/O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2 ZINC000013584552 EG Annotated Mild CSc1nn(-c2cccc(Cl)c2Cl)c2nc(C)[nH]c(=O)c12 ZINC000013585066 EG Annotated Anodyne CSc1nn(-c2ccc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 ZINC000013585070 EG Annotated Anodyne CSc1nn(-c2cc(Cl)ccc2Cl)c2nc(C)[nH]c(=O)c12 ZINC000013585074 EG Annotated Anodyne CSc1nn(-c2c(Cl)cccc2Cl)c2nc(C)[nH]c(=O)c12 ZINC000013585080 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)CC)=C\C[C@H]12 ZINC000013585349 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)CC)=C\C[C@H]12 ZINC000013585350 EG Annotated Mild O=C(COc1ccc2ccccc2c1)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000013585701 EG Annotated Clean O=C(COc1cccc2ccccc12)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000013585705 EG Annotated Clean COc1ccc(C(=O)COc2cccc([N+](C)(C)C)c2)cc1OC ZINC000013586888 EG Annotated Bother CNC(=O)Nc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000013587430 EG Annotated Anodyne CCCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)[C@@H](N)CCC)n1 ZINC000013588003 EG Annotated Anodyne COc1cc(/C=N/N=C(\S)Cc2ccccc2)c(O)c(OC)c1 ZINC000013589614 EG Annotated Mild CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNC(=O)C(C)C ZINC000013590028 EG Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@H]1CC=C[C@@H]31 ZINC000013590516 EG Annotated Anodyne Cc1c(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cnn1C ZINC000013593443 EG Annotated Anodyne Cc1c(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cnn1C ZINC000013593446 EG Annotated Anodyne CCn1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cn1 ZINC000013593674 EG Annotated Anodyne CCn1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cn1 ZINC000013593676 EG Annotated Anodyne Cc1n[nH]c(C)c1CCN(C)Cc1cn(C)nc1-c1ccccc1F ZINC000013593731 EG Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)Cc2ccccn2)c(OC)c1 ZINC000013593740 EG Annotated Anodyne COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)cc1F ZINC000013593742 EG Annotated Anodyne COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccoc3C)C2)cc1F ZINC000013593744 EG Annotated Anodyne CC(C)NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000013594027 EG Annotated Anodyne CC(C)NC(=O)C1CCN(C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC000013594512 EG Annotated Anodyne CC(C)NC(=O)C1CCN(C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC000013594514 EG Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)Cc2cccnc2)c(F)c1 ZINC000013594859 EG Annotated Anodyne O=C(CCc1nnc(-c2ccccc2)o1)NCc1c(F)cccc1F ZINC000013595015 EG Annotated Anodyne Fc1ccc([C@@H]2CCCN2Cc2nc(-c3cnccn3)no2)cc1 ZINC000013595456 EG Annotated Anodyne Fc1ccc([C@H]2CCCN2Cc2nc(-c3cnccn3)no2)cc1 ZINC000013595460 EG Annotated Anodyne O=C1C=CC=CC1=C1c2cc(O)c(O)cc2Oc2cc(O)c(O)cc21 ZINC000013597410 EG Annotated Mild O=C(O)c1ccccc1CSc1n[nH]c2c3ccccc3nc-2n1 ZINC000013597949 EG Annotated Anodyne CCCC1=Nc2nc(C)nn2[C@H](c2cccnc2)/C1=C(\O)OCC ZINC000013598680 EG Annotated Anodyne CN1Cc2ccccc2[C@@](C)(c2ccccc2)N=C1CN1CCOCC1 ZINC000013600326 EG Annotated Anodyne CN1Cc2ccccc2[C@](C)(c2ccccc2)N=C1CN1CCOCC1 ZINC000013600328 EG Annotated Anodyne O=C(c1cccs1)n1nc(-c2cccnc2)c2ccccc2c1=O ZINC000013600569 EG Annotated Anodyne Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000013601141 EG Annotated Clean CC(C)(C)NCCCCNCCCCNCCCCNC(C)(C)C ZINC000013602322 EG Annotated Anodyne COC1=CC(=O)c2cc3c(cc2C1=O)C(=O)c1occ2c1[C@@]3(C)CCC2 ZINC000013603677 EG Annotated Mild COC1=CC(=O)c2cc3c(cc2C1=O)[C@]1(C)CCCc2coc(c21)C3=O ZINC000013603679 EG Annotated Mild N#Cc1c(Cc2c(O)noc2C2CCNCC2)ccc2ccccc12 ZINC000013607821 EG Annotated Mild CN(C[C@@H](O)c1ccccc1)c1cc(=O)n2ccc3ccccc3c2n1 ZINC000013608235 EG Annotated Bother CN(C[C@H](O)c1ccccc1)c1cc(=O)n2ccc3ccccc3c2n1 ZINC000013608238 EG Annotated Bother CCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000013608261 EG Annotated Anodyne CCNC(=O)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000013608264 EG Annotated Anodyne Cc1cccc(-n2s/c(=N/CCCO)nc2-c2ccccc2)c1 ZINC000013609572 EG Annotated Anodyne O=C(O)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCCCCO)O1 ZINC000013634595 EG Annotated Anodyne O=C(O)C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1 ZINC000013634751 EG Annotated Anodyne CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](C2CC2)[C@@H]1CCCO ZINC000013634832 EG Annotated Anodyne CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](C2CC2)[C@H]1CCCO ZINC000013634836 EG Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1 ZINC000013634847 EG Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@H](C2CC2)C[C@H](OCCCCO)O1 ZINC000013634986 EG Annotated Anodyne CC(C)OC(=O)c1cc2c(O)nc(C(Cl)(Cl)Cl)nc2o1 ZINC000013638162 EG Annotated Anodyne C=CCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013641992 EG Annotated Mild C=CCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000013641995 EG Annotated Mild O=C1N(Cc2ccco2)C(=S)NC1(c1ccccc1)c1ccccc1 ZINC000013642224 EG Annotated Anodyne Cn1cccc1C(=O)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000013645927 EG Annotated Anodyne Cn1cccc1C(=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000013645930 EG Annotated Anodyne CCCN(CCC)c1nc(N)nc2c1N[C@H](c1ccccc1)CN2 ZINC000013648210 EG Annotated Anodyne CCCN(CCC)c1nc(N)nc2c1N[C@@H](c1ccccc1)CN2 ZINC000013648213 EG Annotated Anodyne COc1ccc2c(c1C(=O)NCCN(C)C)Nc1ccccc1S2 ZINC000013650335 EG Annotated Anodyne CC[n+]1ccn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1 ZINC000013651144 EG Annotated Anodyne CC[n+]1ccn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1 ZINC000013651145 EG Annotated Anodyne Cc1ccn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1 ZINC000013651168 EG Annotated Anodyne Cc1ccn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1 ZINC000013651169 EG Annotated Anodyne Cc1cnn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1 ZINC000013651170 EG Annotated Anodyne Cc1cnn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1 ZINC000013651171 EG Annotated Anodyne CC[n+]1cccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651180 EG Annotated Anodyne CC[n+]1cccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651181 EG Annotated Anodyne Cc1cc(OC[C@@H](O)Cn2cnc3ccccc32)c2ccccc2n1 ZINC000013651233 EG Annotated Anodyne Cc1cc(OC[C@H](O)Cn2cnc3ccccc32)c2ccccc2n1 ZINC000013651234 EG Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccncc1)O2 ZINC000013651304 EG Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccncc1)O2 ZINC000013651305 EG Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccccn1)O2 ZINC000013651306 EG Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccccn1)O2 ZINC000013651307 EG Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@@H]1OC3(CC=C12)C(=O)c1ccccc1C3=O ZINC000013651646 EG Annotated Mild Cc1cc(OCCN(C)C)cc2oc3c(c12)C(=O)c1ccccc1C3=O ZINC000013651665 EG Annotated Clean Cc1c(C)c2c(c(C)c1N)C[C@](C)(CS(=O)(=O)c1ccccc1)O2 ZINC000013652125 EG Annotated Anodyne Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CS(=O)(=O)c1ccccc1)O2 ZINC000013652126 EG Annotated Anodyne NC(=O)C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656546 EG Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](C)[C@@H]1CCCO ZINC000013656778 EG Annotated Anodyne O=C(O)C1=C[C@H](c2cccs2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013657289 EG Annotated Anodyne NC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12 ZINC000013662151 EG Annotated Anodyne NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12 ZINC000013662229 EG Annotated Anodyne O=C1NC[C@H](c2ccccc2)N(CCc2cccc3ccccc23)C1=O ZINC000013662254 EG Annotated Anodyne COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl ZINC000013673951 EG Annotated Anodyne in-vivo CC(=O)n1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)nnc21 ZINC000013674798 EG Annotated Anodyne O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12 ZINC000013675610 EG Annotated Anodyne COc1ccc(-c2nc3c(N)nc4ccc(Cl)cc4n3n2)cc1 ZINC000013677381 EG Annotated Anodyne O=C(CCN1CCC[C@@H]2CCCC[C@@H]21)c1ccc(O)c(O)c1[N+](=O)[O-] ZINC000013677677 EG Annotated Clean O=C(CCN1CCC[C@H]2CCCC[C@@H]21)c1ccc(O)c(O)c1[N+](=O)[O-] ZINC000013677679 EG Annotated Clean O=C1NC(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000013680085 EG Annotated Anodyne O=C1NC(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000013680087 EG Annotated Anodyne N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1nc2ccccc2o1 ZINC000013680833 EG Annotated Mild CC(C)c1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013683330 EG Annotated Mild COC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2c1C ZINC000013684233 EG Annotated Anodyne CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000013685697 EG Annotated Mild Fc1c(F)c(F)c(/C=N/NC(=S)Nc2cccnc2)c(F)c1F ZINC000013686034 EG Annotated Mild CC(C)(C)c1cc(/C=C2\OC(NC#N)=NC2=O)cc(C(C)(C)C)c1O ZINC000013734190 EG Annotated Anodyne CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCC(=O)N1c1ccccc1-2 ZINC000013735058 EG Annotated Anodyne CC(=O)[C@@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1 ZINC000013736580 EG Annotated Mild CC(=O)[C@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1 ZINC000013736583 EG Annotated Mild CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1 ZINC000013736586 EG Annotated Mild CC(=O)[C@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1 ZINC000013736589 EG Annotated Mild O=C1c2c(O)cccc2Cc2cc(Cc3cc(O)ccc3O)cc(O)c21 ZINC000013736895 EG Annotated Anodyne O=C1c2c(O)cccc2Cc2ccc(Cc3cc(O)ccc3O)c(O)c21 ZINC000013736933 EG Annotated Anodyne COc1cc(CCN2CCCCC2)c(OC)cc1Br ZINC000013737379 EG Annotated Anodyne COc1ccc2c(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)c[nH]c2c1 ZINC000013737454 EG Annotated Anodyne COc1ccc2c(C(=O)[C@@H]3CS[C@H](c4cccnc4)N3)c[nH]c2c1 ZINC000013737455 EG Annotated Anodyne O=C(c1ccccc1)n1c2cc(O)c(O)cc2c2cc(O)c(O)cc21 ZINC000013737759 EG Annotated Clean COC(=O)c1ccc(C(=O)[C@@H]2C(=S)N(C)c3ccccc32)cc1 ZINC000013740096 EG Annotated Anodyne COc1cc(C2=Cc3ccccc3C3=NCCN23)cc(OC)c1OC ZINC000013740214 EG Annotated Anodyne C1=C(c2ccc(CN3CCOCC3)cc2)N2CCN=C2c2ccccc21 ZINC000013740220 EG Annotated Anodyne CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3ccn(C)c32)C1(C)C ZINC000013741376 EG Annotated Anodyne Cn1nc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000013741387 EG Annotated Anodyne O=c1oc2ccc(Cl)cc2c2nc(-c3cccc(F)c3F)nn12 ZINC000013741684 EG Annotated Anodyne O=c1oc2ccc(Cl)cc2c2nc(-c3c(F)cccc3F)nn12 ZINC000013741685 EG Annotated Anodyne CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OC(C)C)cc12 ZINC000013741854 EG Annotated Mild c1ccc2c(c1)OCCc1c(N3CCNCC3)nc3ccccc3c1-2 ZINC000013742141 EG Annotated Anodyne C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)[C@@H](C(=O)Nc1ccccc1)C2 ZINC000013742781 EG Annotated Reactive C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)[C@H](C(=O)Nc1ccccc1)C2 ZINC000013742782 EG Annotated Reactive CC1(C)C[C@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@H]2O[C@H]21 ZINC000013742792 EG Annotated Anodyne C#Cc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1 ZINC000013743208 EG Annotated Mild CCN1c2ncccc2C(=O)Nc2c(Cc3ccccc3)cc(=O)[nH]c21 ZINC000013744662 EG Annotated Anodyne CC(C)N(O)C(=O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000013745516 EG Annotated Anodyne CN(O)C(=O)C(C)(C)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000013745520 EG Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccccc1 ZINC000013746030 EG Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccccc1 ZINC000013746032 EG Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1Cc1ccccc1 ZINC000013746042 EG Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1Cc1ccccc1 ZINC000013746044 EG Annotated Anodyne CCNc1ccccc1C[S@@](=O)c1nccn1-c1ncccc1C ZINC000013746188 EG Annotated Anodyne CCNc1ccccc1C[S@](=O)c1nccn1-c1ncccc1C ZINC000013746190 EG Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nc(-c2ccccc2)cn1C ZINC000013746233 EG Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nc(-c2ccccc2)cn1C ZINC000013746235 EG Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1ncc(-c2ccccc2)n1C ZINC000013746245 EG Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1ncc(-c2ccccc2)n1C ZINC000013746247 EG Annotated Anodyne O=[S@@](Cc1ccccc1-n1cccc1)c1nccn1-c1ccccn1 ZINC000013746273 EG Annotated Anodyne O=[S@](Cc1ccccc1-n1cccc1)c1nccn1-c1ccccn1 ZINC000013746275 EG Annotated Anodyne CCCOc1ccccc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1 ZINC000013755567 EG Annotated Anodyne CCN1CCC[C@@H]1Cn1cnc2c3c(Cl)cccc3nc-2c1O ZINC000013758372 EG Annotated Anodyne CS(=O)(=O)N=c1c(-c2ccccc2)c(O)[nH]c2cc(Cl)ccc12 ZINC000013761230 EG Annotated Anodyne Clc1ccccc1Cn1nnc2c(NC3CCCC3)ncnc21 ZINC000013778485 EG Annotated Anodyne CCOC(=O)c1ncc2[nH]c3cc(OC)c(OC)cc3c2c1CC ZINC000013780136 EG Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=O)CC[C@@H]12 ZINC000013780192 EG Annotated Anodyne COc1ccc(C[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000013780613 EG Annotated Mild COc1ccc(C[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000013780614 EG Annotated Mild COc1ccc(CCNCC[C@@H]2CNc3ccccc3O2)cc1OC ZINC000013780744 EG Annotated Anodyne COc1ccc(CCNCC[C@H]2CNc3ccccc3O2)cc1OC ZINC000013780745 EG Annotated Anodyne CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C ZINC000013783617 EG Annotated Mild CC1=C2[C@H](O)C(=O)O[C@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C ZINC000013783618 EG Annotated Mild CC1(C)C=C(n2ccccc2=O)c2cc(C=C(C#N)C#N)ccc2O1 ZINC000013795400 EG Annotated Reactive CONC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)O1 ZINC000013796271 EG Annotated Anodyne Cc1ccc(CC2(O)CCN(CCC#Cc3ccc(N)cc3)CC2)cc1 ZINC000013798592 EG Annotated Mild N#C/C(=C\C(=O)NCCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000013799952 EG Annotated Reactive N=C(N)c1ccc(/C=C2/CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1 ZINC000013803379 EG Annotated Mild Cc1ccc([C@H](O)[C@H]2CN(C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000013804571 EG Annotated Anodyne CC[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccccc1 ZINC000013806467 EG Annotated Mild C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000013806469 EG Annotated Mild CCCc1cc(C#N)ccc1/N=c1\c(O)c(O)\c1=N/[C@H](C)C(C)(C)C ZINC000013806478 EG Annotated Mild C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1Cl)C(C)(C)C ZINC000013806488 EG Annotated Mild CC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1ccc(Cl)cc1Cl ZINC000013806568 EG Annotated Anodyne CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1c(C)cc(C)cc1Cl ZINC000013806610 EG Annotated Anodyne S=C(NCc1ccccc1Cl)N1CCC(c2c[nH]cn2)CC1 ZINC000013808013 EG Annotated Anodyne CN1CCN(c2nc(-c3ccoc3)cc(-c3cccs3)n2)CC1 ZINC000013808405 EG Annotated Anodyne CCCC[C@@H](CC(=O)NO)[S@@](=O)c1ccc(Br)cc1 ZINC000013808959 EG Annotated Anodyne CCCC[C@H](CC(=O)NO)[S@@](=O)c1ccc(Br)cc1 ZINC000013808961 EG Annotated Anodyne CCCC[C@@H](CC(=O)NO)[S@](=O)c1ccc(Br)cc1 ZINC000013808963 EG Annotated Anodyne CCCC[C@H](CC(=O)NO)[S@](=O)c1ccc(Br)cc1 ZINC000013808965 EG Annotated Anodyne COC(=O)C[C@@H]1Oc2cc3oc4c(c3cc2O1)C(=O)CC(C)(C)C4 ZINC000013813003 EG Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c(OC)c(OC)c21 ZINC000013813445 EG Annotated Anodyne COc1ccccc1[C@H]1CC(=O)Oc2cc(OC)c(OC)c(OC)c21 ZINC000013813449 EG Annotated Anodyne CCOC(=O)C1=C(C)c2ccccc2O[C@]1(C(=O)OCC)C(C)C ZINC000013813711 EG Annotated Anodyne CCOC(=O)C1=C(C)c2ccccc2O[C@@]1(C(=O)OCC)C(C)C ZINC000013813713 EG Annotated Anodyne COc1ccc2c(c1)OC(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000013814405 EG Annotated Anodyne COc1ccc2c(c1)OC(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000013814409 EG Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1C)CC(=O)O2 ZINC000013814753 EG Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@H](c1ccccc1C)CC(=O)O2 ZINC000013814757 EG Annotated Anodyne CCOC(=O)[C@@H]1C/C(=C\C(C)=O)c2cccc(C(F)(F)F)c2O1 ZINC000013814775 EG Annotated Mild CCOC(=O)[C@H]1C/C(=C\C(C)=O)c2cccc(C(F)(F)F)c2O1 ZINC000013814778 EG Annotated Mild CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@H]1C ZINC000013816545 EG Annotated Anodyne C=CCN1C=C2C(=O)[C@](C)(OC(=O)CC)C(=O)C=C2C=C1CCCC ZINC000013817370 EG Annotated Mild C=CCN1C=C2C(=O)[C@@](C)(OC(=O)CC)C(=O)C=C2C=C1CCCC ZINC000013817374 EG Annotated Mild COc1cc(OC)c2c(c1)O[C@@H]1Cc3cc(OC)c(OC)cc3[C@H]2O1 ZINC000013817695 EG Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H]1Cc3cc(OC)c(OC)cc3[C@@H]2O1 ZINC000013817698 EG Annotated Anodyne OC[C@@H](O)CNc1cc([C@@H]2CCc3ccccc3C2)nc2ccccc12 ZINC000013818414 EG Annotated Anodyne OC[C@H](O)CNc1cc([C@@H]2CCc3ccccc3C2)nc2ccccc12 ZINC000013818415 EG Annotated Anodyne OC[C@@H](O)CNc1cc([C@H]2CCc3ccccc3C2)nc2ccccc12 ZINC000013818417 EG Annotated Anodyne OC[C@H](O)CNc1cc([C@H]2CCc3ccccc3C2)nc2ccccc12 ZINC000013818419 EG Annotated Anodyne CC1(C)c2cc(C(F)(F)F)ccc2[C@@H](N2CCCCC2=O)[C@@H]1O ZINC000013820467 EG Annotated Anodyne O=C(O)c1cc(=O)c2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000013821211 EG Annotated Anodyne CCc1c(OC)nc2nc(-c3nnc(-c4ccccc4)o3)cn2c1C ZINC000013822397 EG Annotated Anodyne NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O ZINC000013824664 EG Annotated Anodyne NC[C@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O ZINC000013824666 EG Annotated Anodyne C[C@@H](C(=O)N(C)C)n1c(-c2ccc(Cl)cc2)nc2cccnc21 ZINC000013824855 EG Annotated Anodyne C[C@H](C(=O)N(C)C)n1c(-c2ccc(Cl)cc2)nc2cccnc21 ZINC000013824857 EG Annotated Anodyne CN(C)C(=O)CCn1c(-c2ccc(Cl)cc2)nc2cccnc21 ZINC000013824859 EG Annotated Anodyne CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2c(Cl)ccnc21 ZINC000013824877 EG Annotated Anodyne CCN(C)CC#CCCC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000013825143 EG Annotated Mild Cc1cccc(COc2ccc(-c3nn(CCC#N)c(=O)o3)cc2)c1 ZINC000013826697 EG Annotated Mild Cc1cccc(COc2ccc(C3=NN(CCC#N)C(=O)CO3)cc2)c1 ZINC000013826741 EG Annotated Mild CN(C(=O)c1ccoc1)c1ccccc1I ZINC000013828761 EG Annotated Anodyne CNC(=O)[C@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 ZINC000013829065 EG Annotated Anodyne CNC(=O)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 ZINC000013829092 EG Annotated Anodyne CNC(=O)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 ZINC000013829094 EG Annotated Anodyne C[C@@H](C(=O)CC(=O)OC(C)(C)C)[C@@H](O)c1c(F)cccc1Cl ZINC000013829241 EG Annotated Anodyne C=C1CCN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc21 ZINC000013830924 EG Annotated Mild C[C@H](C(=O)OCO/N=[N+](\[O-])N1CCCC1)c1cccc2ccccc12 ZINC000013831448 EG Annotated Clean Cc1cc(F)cc(C)c1Cn1cnc2c(cnn2C(C)(C)C)c1=O ZINC000013831806 EG Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2F)cc(C)n1 ZINC000013832972 EG Annotated Anodyne CN1CC[C@@]2([C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000013837638 EG Annotated Anodyne in-man endogenous CC1(C)C=C2C(=NN(c3ccccc3C(F)(F)F)C(N)=C2C#N)CO1 ZINC000013838657 EG Annotated Reactive CC1(C)C=C2C(=NN(c3cccc(C(F)(F)F)c3)C(N)=C2C#N)CO1 ZINC000013838659 EG Annotated Reactive Cn1cc(-c2noc([C@H]3CN4CCC3CC4)n2)c2cc(F)ccc21 ZINC000013860837 EG Annotated Anodyne CN1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc2C1=O ZINC000013861413 EG Annotated Anodyne Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3CCCC3)nc21 ZINC000013861462 EG Annotated Mild CC1=C(CCNC(=O)OC(C)(C)C)C(=O)c2c(O)cccc2C1=O ZINC000013861906 EG Annotated Mild CC1=C(CCCNC(=O)OC(C)(C)C)C(=O)c2c(O)cccc2C1=O ZINC000013861907 EG Annotated Mild CCOC(=O)c1cc2ccccn2/c(=N/c2ccc(Cl)cc2)n1 ZINC000013862371 EG Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)Nc1cccnc1 ZINC000013879030 EG Annotated Anodyne FC(F)(F)c1cnc(NNC(=S)Nc2cccnc2)c(Cl)c1 ZINC000013879056 EG Annotated Anodyne CCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000013907295 EG Annotated Anodyne CN[C@H](c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1 ZINC000013917986 EG Annotated Anodyne O=C(C[C@H]1CN2CCC1CC2)Nc1ccc2cccc([N+](=O)[O-])c2c1 ZINC000013974849 EG Annotated Bother CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(/C=[N+](\[O-])C1CC1)O2 ZINC000013981579 EG Annotated Mild CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(/C=[N+](\[O-])C1CC1)O2 ZINC000013981581 EG Annotated Mild COc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1 ZINC000013981591 EG Annotated Anodyne CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)O2 ZINC000013982265 EG Annotated Anodyne CNC[C@@H](O)[C@H](c1ccccc1)N1CC(C)(C)c2cccc(F)c21 ZINC000013985198 EG Annotated Anodyne C[C@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@H]12)O[C@@]1(C)OC[C@H](C)[C@H]1C4 ZINC000135947472 EG Annotated Anodyne CC(C)(O)/C=C/C=C1/COC(=O)[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]3CC[C@]21CO3 ZINC000136065868 EG Annotated Anodyne CO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@@H](O)C=C1C=O ZINC000136085190 EG Annotated Reactive C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]1(C)[C@H](O)C(=O)c1ccoc1)[C@@]23C ZINC000136294993 EG Annotated Anodyne CCCC/C=C/C=C/[C@@H]1CCC[C@H]2N[C@@H](C)[C@@H](OC(=O)CO)C[C@@H]12 ZINC000136395974 EG Annotated Anodyne COC/C=C/c1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)cc1)O2 ZINC000136421076 EG Annotated Anodyne CC1(C)Oc2c(ccc3c(=O)c4c(O)cccc4oc23)C[C@@]1(C)O ZINC000136532669 EG Annotated Bother COC(=O)c1c2ccn(CCN)cc2c(C)c2c1nc1ccccc12 ZINC000136541458 EG Annotated Anodyne COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1/C=C/c1ccccc1 ZINC000136658190 EG Annotated Anodyne COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1/C=C/c1ccccc1 ZINC000136658237 EG Annotated Anodyne CCc1c(O)n([C@@H](C)CC)c(SCC(=O)c2ccccc2)nc1=O ZINC000136669879 EG Annotated Anodyne CCc1c(O)n([C@H](C)CC)c(SCC(=O)c2ccccc2)nc1=O ZINC000136669908 EG Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1 ZINC000136716374 EG Annotated Anodyne Clc1cc(Cl)c2nc(SCCN3CCOCC3)[nH]c2c1 ZINC000136899978 EG Annotated Anodyne CO[C@@H]1C(C=O)=CC[C@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@H]1O ZINC000136921031 EG Annotated Reactive CCN(C(C)=O)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1 ZINC000136943932 EG Annotated Anodyne C/C=C1/COC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 ZINC000136952174 EG Annotated Anodyne COc1cc2ccc([C@@](O)(c3cnc[nH]3)C(C)C)cc2cc1OC ZINC000136993347 EG Annotated Anodyne CC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H]1C[C@@H](O)[C@@H]2O ZINC000137076967 EG Annotated Anodyne C[C@]12CC(=O)c3ccoc3[C@@H]3CC=C4C(=O)OC[C@@]4(C[C@@H]4O[C@@]41C)[C@H]32 ZINC000137238852 EG Annotated Anodyne C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 ZINC000137309729 EG Annotated Mild C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC(O)CC3)[C@@H]2CC1 ZINC000137365029 EG Annotated Anodyne C=CCN(CC=C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000137373075 EG Annotated Mild CC1=C2C[C@H]3C(=O)C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000137446425 EG Annotated Anodyne Cc1c(C(=O)OCc2ccccc2)[n+](=O)c2cc(Cl)ccc2n1O ZINC000137450027 EG Annotated Anodyne CC(=O)O[C@H]1CCC2=CCC[C@H](C)[C@@]2(C)[C@H]2O[C@@]2(C)[C@H]1OC(C)=O ZINC000137453900 EG Annotated Anodyne CC(=O)O[C@H]1CC[C@@]23O[C@@H]2CC[C@H](C)[C@@]3(C)C=C(C)[C@H]1OC(C)=O ZINC000137454071 EG Annotated Anodyne C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@@]2(C)O ZINC000137458968 EG Annotated Mild Cc1ccc2c3c(ccc2c1C)C(=O)C1=C(OC[C@@H](C)[C@@H]1CO)C3=O ZINC000137467274 EG Annotated Mild Cn1ncc2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c21 ZINC000137548322 EG Annotated Bother Cn1ncc2c3c(ccc21)ncc1c(=O)n(-c2ccc(Cl)cc2)[nH]c13 ZINC000137549112 EG Annotated Bother Cn1cnc2c3c(ccc21)ncc1c(=O)n(-c2ccc(Cl)cc2)[nH]c13 ZINC000137549304 EG Annotated Bother Cn1cc2c(ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c32)n1 ZINC000137549385 EG Annotated Bother Cn1ncc2cc3c(cc21)ncc1c(=O)n(-c2ccc(Cl)cc2)[nH]c13 ZINC000137549475 EG Annotated Bother C[C@@H]1C[C@H]2OC(=O)[C@H]3CCCC(=C32)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000137641515 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12 ZINC000137737701 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)CC)=C/C[C@H]12 ZINC000137737789 EG Annotated Mild CC1(C)C[C@H]([C@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br ZINC000137748476 EG Annotated Reactive CC1(C)C[C@@H]([C@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br ZINC000137748565 EG Annotated Reactive CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br ZINC000137748618 EG Annotated Reactive CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br ZINC000137748696 EG Annotated Reactive NC(=O)c1cc[n+](CCCCCCCN2C=CC(=CN=O)C=C2)cc1 ZINC000137758216 EG Annotated Anodyne NC(=O)c1ccc[n+](CCCCCCCN2C=CC(=CN=O)C=C2)c1 ZINC000137758358 EG Annotated Anodyne COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)[O-])cc1 ZINC000137893008 EG Annotated Bother Cn1c(NC2=NC3(CCCC3)C3=C(CCCC3=O)N2)nc2ccccc21 ZINC000138190786 EG Annotated Mild Cn1cc(-c2nncc3nc(Nc4ccc(F)cc4F)ccc23)cn1 ZINC000138228270 EG Annotated Anodyne Fc1ccc(Oc2ccc3c(-c4cn[nH]c4)nncc3n2)c(F)c1 ZINC000138255021 EG Annotated Anodyne CCc1cc2c(=O)n(CCCn3cnc(C)c3)c(=S)[nH]c2s1 ZINC000138342166 EG Annotated Anodyne Cc1cn(CCCn2c(=S)[nH]c3sc(C)c(C)c3c2=O)cn1 ZINC000138361959 EG Annotated Anodyne Cc1cn(CCCn2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cn1 ZINC000138362377 EG Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2c(OC)cccc12 ZINC000138366295 EG Annotated Anodyne O=c1c2c3c(sc2[nH]c(=S)n1CCCn1ccnc1)CCCC3 ZINC000138385634 EG Annotated Anodyne CS(=O)(=O)c1cnc(C(=O)CCCCCCc2ccccc2)o1 ZINC000138468778 EG Annotated Anodyne CCC(=O)[C@H](C)C(=O)O[C@H]([C@@H](C)C(=O)CC)[C@@H](C)C(=O)[C@H](C)CC ZINC000138580288 EG Annotated Anodyne CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@]23C ZINC000138629394 EG Annotated Mild in-vitro CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C\[C@](C)(O)CC/C=C(/CC1)C(=O)O2 ZINC000138775548 EG Annotated Anodyne C=C(C)[C@H](O)Cc1c(OC)c(OC)cc2nc3occc3c(OC)c12 ZINC000138808275 EG Annotated Mild C/C=C1/CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1CCO ZINC000138934847 EG Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3C[C@@]4(O)OC(=O)C=C4[C@@](C)(O)[C@@H]3CC[C@@H]12 ZINC000138978900 EG Annotated Anodyne CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)N=C(N)N ZINC000139041111 EG Annotated Mild CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@H]3CC[C@](C)(O)[C@H](O3)[C@H]2OC1 ZINC000139046416 EG Annotated Anodyne C=C1CC[C@@H](OC(C)=O)[C@@](C)(O)[C@@H](OC(C)=O)C[C@@H]2[C@@H]1CC2(C)C ZINC000139097032 EG Annotated Mild COc1ccc(C[C@@H]2COc3c(C)c(O)c(C)c(OC)c3C2=O)cc1 ZINC000139118647 EG Annotated Anodyne C[C@@]1(O)C=Cc2c(c(O)cc3cc(-c4cc(O)cc(O)c4)oc23)OC1 ZINC000139118955 EG Annotated Anodyne C[C@]1(O)C=Cc2c(c(O)cc3cc(-c4cc(O)cc(O)c4)oc23)OC1 ZINC000139119086 EG Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=CC(C)=C(C1)[C@H]23 ZINC000139137553 EG Annotated Anodyne C/C=C(/C)C(=O)Oc1c(OC)cc(/C=C/COC(C)=O)cc1OC ZINC000139149203 EG Annotated Anodyne CC(C)=CCC1=C2C=C[C@@](C)(O)CO[C@]2(O)c2ccccc2C1=O ZINC000139212288 EG Annotated Mild COc1c2c(cc3c1[nH]c1ccccc13)C(=O)O[C@@H](C(C)(C)O)C2 ZINC000139239678 EG Annotated Anodyne O=C(O)c1ccc([S@](=O)Cc2cccc(C(F)(F)F)c2)cn1 ZINC000139269521 EG Annotated Anodyne O=C(O)c1ccc([S@@](=O)Cc2cccc(C(F)(F)F)c2)cn1 ZINC000139269577 EG Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c(C(=O)Nc1ccccc1C)c(C)n2O ZINC000139316811 EG Annotated Anodyne N#Cc1c(-c2ccccc2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O ZINC000139328406 EG Annotated Mild C1=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCOC1 ZINC000139355762 EG Annotated Anodyne Cc1cn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 ZINC000139364475 EG Annotated Anodyne O=C1Nc2ccccc2[C@]1(O)c1c[nH]c2ccc(Br)cc12 ZINC000139440250 EG Annotated Anodyne O=C1Nc2ccccc2[C@@]1(O)c1c[nH]c2ccc(Br)cc12 ZINC000139440368 EG Annotated Anodyne C[C@]1(CC(=O)O)CC[C@@]2(O)C(=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@@H]34)C1 ZINC000139483647 EG Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O ZINC000139553715 EG Annotated Mild C=C1CC=C[C@]2(C)CC[C@H](/C(C=O)=C/C=C/C(C)(C)O)[C@H]1C(=O)O2 ZINC000139554702 EG Annotated Reactive C=C1CC[C@@H]2[C@](C)(C=O)C(=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000139626039 EG Annotated Mild CC(=O)C[C@H]1CCC2=C(NC(C)=O)C[C@@H]3C[C@@H](C)C[C@@]24[C@@H]3CCCN14 ZINC000139716498 EG Annotated Anodyne C[C@@]12CC[C@H]3C[C@@]1(C#N)N(C(=O)c1cccc([N+](=O)[O-])c1)C[C@]32C ZINC000139769600 EG Annotated Mild Cc1ccc(C(=O)N2CC(c3nccnc3-c3ccccc3)C2)nc1 ZINC000139808199 EG Annotated Anodyne O=C1C(=O)c2c(nc3ccc(Br)cn23)-c2ccccc21 ZINC000139809924 EG Annotated Anodyne COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@](C)(O)[C@H]2C)ccc1O ZINC000139897290 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2[C@H]1C=C(C=O)C[C@@H](O)O1 ZINC000139925991 EG Annotated Reactive c1ccc(-c2ccc3nnc(Cc4ccc5nccnc5c4)n3n2)cc1 ZINC000139953809 EG Annotated Anodyne Cc1cc(C)c(CNC(=O)c2cccc3c2ccn3C(C)C)c(=O)[nH]1 ZINC000139979473 EG Annotated Anodyne CO[C@@H]1O[C@@]2(c3ccc(C(=O)O)cc3)CC[C@H]3CCCC[C@]31OO2 ZINC000014128377 EG Annotated Reactive CO[C@H]1O[C@@]2(c3ccc(C(=O)O)cc3)CC[C@H]3CCCC[C@@]13OO2 ZINC000014128378 EG Annotated Reactive O=C(O)c1ccc([C@@]23CC[C@H]4CCC[C@H]5CCO[C@H](O2)[C@]54OO3)cc1 ZINC000014164330 EG Annotated Reactive c1ncn(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n1 ZINC000014177080 EG Annotated Reactive CC1=CC2=NC[C@H](C(=O)c3ccc(Br)cc3)CN2C=C1 ZINC000014191822 EG Annotated Anodyne O=c1oc2cc(Cl)ccc2n1CN(Cc1cccnc1)C1CC1 ZINC000014259001 EG Annotated Anodyne CC(C)c1ccc2c(c1O)CC[C@@H]1C3=C(CC[C@]21C)C(=O)O[C@@H]3O ZINC000014407180 EG Annotated Anodyne CO[C@]1(CO)C[C@@]23CC[C@@H]4C5=CC(=O)O[C@@H]5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000014407830 EG Annotated Anodyne CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C ZINC000014410967 EG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc3c(cc21)OCO3 ZINC000014421006 EG Annotated Anodyne in-vitro biogenic CC(=O)C[C@@]1(O)c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21 ZINC000014440770 EG Annotated Anodyne CC(=O)C[C@]1(O)c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21 ZINC000014440771 EG Annotated Anodyne O=C1CCC(=O)c2c1c(O)c(O)c1c2-c2ccc(O)c3c(O)ccc-1c23 ZINC000014441468 EG Annotated Clean CCO[C@H]1CN2CCc3c([nH]c4ccccc34)CC[C@@]3(CCO[C@@H]13)C2 ZINC000014442031 EG Annotated Anodyne CC1=Cc2cccc3c2C(=CC(=O)[C@@]32Oc3cc(O)cc(C)c3C2=O)O1 ZINC000014448364 EG Annotated Mild C=C(CC[C@@H](/C=C/[C@@](C)(O)CC(=O)OC)C(C)C)[C@@H]1CCC(=O)O1 ZINC000014485679 EG Annotated Mild C[C@H]1Cc2ccc3c(c2[C@@](O)(c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 ZINC000014496033 EG Annotated Anodyne CC(C)(O)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1 ZINC000014496160 EG Annotated Mild in-vitro biogenic CC(C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000014497166 EG Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CC(=O)C[C@H](C)[C@]21C ZINC000014497708 EG Annotated Mild CC(C)=CC(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)CC[C@H]21 ZINC000014498741 EG Annotated Mild C=C1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\CCOC1=O ZINC000014499704 EG Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000014499721 EG Annotated Mild C[C@](O)(CCl)COc1cc(O)c2c(=O)c3ccccc3oc2c1 ZINC000140052420 EG Annotated Unstable C[C@@](O)(CCl)COc1cc(O)c2c(=O)c3ccccc3oc2c1 ZINC000140052569 EG Annotated Unstable O=c1c2cnc3c(c2[nH]n1-c1ccc(OC(F)(F)F)cc1)CCCC3 ZINC000140078112 EG Annotated Anodyne O=c1c2cnc3c(c2[nH]n1-c1ccc(OC(F)F)cc1)CCCC3 ZINC000140078393 EG Annotated Anodyne CC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=C[C@@H](O)OC1=O ZINC000140091114 EG Annotated Anodyne O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NC3CC3)ncc12 ZINC000140111674 EG Annotated Anodyne C=C1C[C@@H](O)/C=C(\C)CC[C@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12 ZINC000140129044 EG Annotated Mild C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](O)OC1=O ZINC000140131873 EG Annotated Mild Cc1cccnc1C(=O)N1CC(c2nccnc2-c2ccccc2)C1 ZINC000140182411 EG Annotated Anodyne Cc1cccc(C(=O)N2CC(c3nccnc3-c3ccccc3)C2)n1 ZINC000140185227 EG Annotated Anodyne CC1(C)[C@@H]2CC=C3C(=O)OC[C@@H]3O[C@@]2(C)CC[C@H]1Br ZINC000140213895 EG Annotated Reactive C=C(C)[C@H]1C[C@@]23[C@@H](O1)O[C@]2(C)[C@@H](O)C=C(Br)C3(C)C ZINC000140218912 EG Annotated Mild CC(=O)O[C@@H]1C=C2CCC(=O)[C@@H](OC(C)=O)C(C)=C[C@]2(C)[C@@H](C)C1 ZINC000140252101 EG Annotated Anodyne C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)CO[C@H](O)[C@@H]12 ZINC000140256487 EG Annotated Mild C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)COC(=O)[C@@H]12 ZINC000140256963 EG Annotated Mild CC(C)=CCC[C@@H](C)[C@@H]1C2=C(C(=O)O[C@H]2O)[C@@H]2C[C@@H]2[C@@H](C)C[C@@H]1O ZINC000140415112 EG Annotated Anodyne CCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl ZINC000140475965 EG Annotated Anodyne C#C/C=C/C[C@@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2OC ZINC000140542693 EG Annotated Reactive CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C/C=C(\C)C[C@H](O)[C@H]12 ZINC000140589642 EG Annotated Reactive Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(C2CCOCC2)n1 ZINC000140820593 EG Annotated Anodyne N#Cc1cc(NC(O)=C2N=NN=N2)cc(NC(O)=C2N=NN=N2)c1 ZINC000140909180 EG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C(C)C)cc1[C@]21N=C(N)N(C)O1 ZINC000141051742 EG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C(C)C)cc1[C@@]21N=C(N)N(C)O1 ZINC000141051946 EG Annotated Anodyne S=C=Nc1ccc2oc(-c3ccc(N4CCOCC4)nc3)nc2c1 ZINC000141116469 EG Annotated Reactive NC(=O)Nc1cc(-c2ccnn2-c2ccc(F)cc2Cl)ccn1 ZINC000141253360 EG Annotated Anodyne CC/C=C\C[C@@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@@H]1C/C=C\CCCC(=O)O1 ZINC000141265369 EG Annotated Anodyne Cc1nc(C2CCOCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C ZINC000141318033 EG Annotated Anodyne Cc1cccc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 ZINC000141400081 EG Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)ccc3C[C@@H]2OC(C)=O)cc1 ZINC000141402581 EG Annotated Anodyne CC/C=C\C/C=C\C[C@H](O)[C@@H](O)/C=C/[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1 ZINC000141419616 EG Annotated Anodyne C/C1=C/CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1 ZINC000141445079 EG Annotated Anodyne C/C1=C/C=C(\C(C)C)C(=O)[C@@H](O)[C@H](C)CCC(=O)[C@H](CO)CCC1 ZINC000141445472 EG Annotated Mild C/C1=C/CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1 ZINC000141449773 EG Annotated Anodyne CC/C(=N\OC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O ZINC000141499099 EG Annotated Mild CCCN1C[C@H](C[S@@](C)=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 ZINC000141510402 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@@]12O ZINC000141521470 EG Annotated Anodyne CC(C)=CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@]12O ZINC000141521681 EG Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@@](C)([C@H](O)CO)CC[C@H]12 ZINC000141564755 EG Annotated Anodyne N#Cc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000141675818 EG Annotated Mild Cc1nc2cc3c(cc2n1-c1ccc(C(=O)NC2CC2)s1)OCO3 ZINC000141692948 EG Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(C(C)C)nc1 ZINC000141765383 EG Annotated Anodyne Cc1nc(NCCc2c[nH]cn2)cc(-c2ccc3ncsc3c2)n1 ZINC000141830014 EG Annotated Anodyne CCCc1ccc2c(c1)[C@@]1(N=C(N)N(C)O1)C1(CCC(OC)CC1)C2 ZINC000141914146 EG Annotated Anodyne CCCc1ccc2c(c1)[C@]1(N=C(N)N(C)O1)C1(CCC(OC)CC1)C2 ZINC000141914357 EG Annotated Anodyne Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)O)cn1 ZINC000141965478 EG Annotated Anodyne C[C@H](Oc1nc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141967148 EG Annotated Anodyne C[C@@H](Oc1nc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141967554 EG Annotated Anodyne CC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)ccc4[C@H]3O)c2O)O1 ZINC000142036176 EG Annotated Anodyne N#Cc1c(O)nc2nc(-c3ccc(-c4ccccc4O)cc3)[nH]c2c1O ZINC000142073139 EG Annotated Anodyne CN1O[C@@]2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1 ZINC000142079519 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2O)n1 ZINC000142079556 EG Annotated Anodyne CN1O[C@]2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1 ZINC000142079722 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2O)n1 ZINC000142079759 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccnc2)n1 ZINC000142099256 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccnc2)n1 ZINC000142099451 EG Annotated Anodyne Cc1csc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142107867 EG Annotated Anodyne Cc1csc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142108081 EG Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 ZINC000142112234 EG Annotated Anodyne O=C1OCCN1c1ccnc(NCC23CC4CC(CC(C4)C2)C3)n1 ZINC000142144563 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccncc2)n1 ZINC000142165541 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccncc2)n1 ZINC000142165761 EG Annotated Anodyne Cc1ccc([C@H]2NC(N)=N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000142165894 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccn2)n1 ZINC000142165990 EG Annotated Anodyne Cc1ccc([C@@H]2NC(N)=N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000142166088 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccn2)n1 ZINC000142166222 EG Annotated Anodyne O=C(CNc1cccc(F)c1)Nc1nc2ccc3[nH]ncc3c2s1 ZINC000142263862 EG Annotated Anodyne O=C(CNc1ccccc1)Nc1nc2c(F)cc3[nH]ncc3c2s1 ZINC000142280903 EG Annotated Anodyne CC(=O)NC(C)(C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 ZINC000142369869 EG Annotated Mild Cn1nccc1C(=O)Nc1ccc(-c2ccc(F)cc2Cl)c(N)n1 ZINC000142616738 EG Annotated Anodyne CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccc2)nc1 ZINC000142668858 EG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2OC)CC(=O)O[C@@H]1c1ccccc1 ZINC000142733869 EG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@@H]1c1ccccc1 ZINC000142734073 EG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2OC)CC(=O)O[C@H]1c1ccccc1 ZINC000142734276 EG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@H]1c1ccccc1 ZINC000142734475 EG Annotated Anodyne CCc1[nH]nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC ZINC000142764626 EG Annotated Anodyne CCc1[nH]nc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC ZINC000142764849 EG Annotated Anodyne O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c2c(-c3cc[nH]n3)cnn12 ZINC000142788061 EG Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC2)cn1 ZINC000142789680 EG Annotated Anodyne Cc1cnc(-c2cnn3c(=O)cc(-c4ccc(Cl)cc4)[nH]c23)o1 ZINC000142898885 EG Annotated Anodyne O=c1cc(CCl)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 ZINC000142955948 EG Annotated Reactive Cc1coc(-c2cnn3c(=O)cc(-c4ccc5onc(C)c5c4)[nH]c23)n1 ZINC000142972547 EG Annotated Anodyne Cc1cnc(-c2cnn3c(=O)cc(-c4ccc5c(C)noc5c4)[nH]c23)o1 ZINC000142990429 EG Annotated Anodyne Cc1cnc(-c2cnn3c(=O)cc(-c4ccc5onc(C)c5c4)[nH]c23)o1 ZINC000143019172 EG Annotated Anodyne CNc1cc(-c2cc(C(N)=O)n(-c3cc(Cl)ccc3C)c2)ncn1 ZINC000143023816 EG Annotated Anodyne CNc1cc(-n2cc(C(N)=O)c(-c3cc(Cl)ccc3C)c2)ncn1 ZINC000143036530 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4C[C@@](O)(CC[C@@H]21)[C@@H]3O4 ZINC000143093854 EG Annotated Anodyne COc1ccc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2c1 ZINC000143107262 EG Annotated Anodyne COc1cc(-c2cc(=O)n3ncc(-c4ncco4)c3[nH]2)ccc1Cl ZINC000143147028 EG Annotated Anodyne O=c1cc(-c2ccc(Cl)cc2)[nH]c2c(-c3nccs3)cnn12 ZINC000143160240 EG Annotated Anodyne N#Cc1ccc(C(=O)Nc2cc[nH]c(=O)c2)c(Oc2ccc(F)cc2)c1 ZINC000143169548 EG Annotated Anodyne COc1ccc(N2CC[C@@H](N)[C@H](c3cccc(C)c3)C2)cc1OC ZINC000143170263 EG Annotated Clean N#CCc1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 ZINC000143188658 EG Annotated Mild C[C@@H]1[C@@H](O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000143192525 EG Annotated Anodyne O=S(=O)(c1cccc(F)c1)c1ccc2oc3c(c2c1)CNCC3 ZINC000143337310 EG Annotated Anodyne O=S(=O)(c1ccc(F)cc1)c1ccc2oc3c(c2c1)CNCC3 ZINC000143352926 EG Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc2c3c(oc2c1)CCCNC3 ZINC000143380516 EG Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc([S@@](C)=O)cn1 ZINC000143394073 EG Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc([S@](C)=O)cn1 ZINC000143394270 EG Annotated Anodyne Cc1noc(-c2c(C)nn3c(=O)cc(-c4ccc(Cl)cc4)[nH]c23)n1 ZINC000143405450 EG Annotated Anodyne CCn1nccc1-c1cnn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c12 ZINC000143464521 EG Annotated Anodyne COC(=O)c1cccc2c1-c1cc(F)ccc1[C@@]2(O)C(F)(F)F ZINC000143486369 EG Annotated Anodyne COC(=O)c1cccc2c1-c1cc(F)ccc1[C@]2(O)C(F)(F)F ZINC000143486579 EG Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc2oc3c(c2c1)CNCCC3 ZINC000143509358 EG Annotated Anodyne CN1CCc2oc3cc(S(=O)(=O)c4ccccc4)ccc3c2C1 ZINC000143521483 EG Annotated Anodyne Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000143532670 EG Annotated Anodyne CN1CCc2oc3ccc(S(=O)(=O)c4ccccc4)cc3c2C1 ZINC000143539489 EG Annotated Anodyne O=S(=O)(c1cc(F)cc(F)c1)c1ccc2oc3c(c2c1)CNCC3 ZINC000143542979 EG Annotated Anodyne Cc1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1 ZINC000143564998 EG Annotated Anodyne O=S(=O)(c1ccccc1)c1cc(F)c2oc3c(c2c1)CNCC3 ZINC000143600346 EG Annotated Anodyne O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1cc(O)ccc13)OCO2 ZINC000143616404 EG Annotated Bother CCC[C@]1(O)C[C@@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000143616507 EG Annotated Anodyne COc1ccc(-c2c(F)c(F)cc3cc4n(c23)CCNC4=O)cc1 ZINC000143732285 EG Annotated Anodyne CCc1onc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC ZINC000143797159 EG Annotated Anodyne CCc1onc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC ZINC000143797384 EG Annotated Anodyne N#CC1(C#N)[C@@H](c2ccccc2)O[C@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3 ZINC000143812022 EG Annotated Mild O=C1N(c2ccnc(C(F)(F)F)n2)CCN1c1cnccc1C1CC1 ZINC000143933151 EG Annotated Anodyne Cc1nc(Cl)cc(N2CCN(c3cnccc3C3CC3)C2=O)n1 ZINC000144034965 EG Annotated Anodyne O=C(Nc1cc2ccc(O[C@H]3CCCC[C@@H]3O)cc2cn1)C1CC1 ZINC000144282566 EG Annotated Anodyne C[C@H]1CCC(=O)N1c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 ZINC000144337241 EG Annotated Anodyne CC(C)Cn1c(-c2c(F)cccc2F)cnc(-n2cccn2)c1=O ZINC000144344836 EG Annotated Anodyne Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 ZINC000144383734 EG Annotated Anodyne O=C(Nc1cc2ccc(O[C@@H]3CCCC[C@H]3O)cc2cn1)C1CC1 ZINC000144426215 EG Annotated Anodyne O=c1[nH]nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc1-2 ZINC000144481914 EG Annotated Anodyne CC1=C[C@]2(O)C(=O)[C@@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(/C=C\2C1=O)O3 ZINC000144506058 EG Annotated Mild C[C@]1(O)C[C@@](c2ccnc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1 ZINC000144532565 EG Annotated Anodyne Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)nc[n+]([O-])c1C ZINC000144605746 EG Annotated Anodyne Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000144629056 EG Annotated Anodyne CON(C)C(=O)c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144698126 EG Annotated Anodyne CON(C)C(=O)c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144698305 EG Annotated Anodyne Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1 ZINC000144703737 EG Annotated Anodyne CN1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 ZINC000144730169 EG Annotated Anodyne CN1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 ZINC000144730381 EG Annotated Anodyne COC(=O)c1cccc2c1-c1ccc(F)cc1[C@@]2(O)C(F)(F)F ZINC000144754140 EG Annotated Anodyne COC(=O)c1cccc2c1-c1ccc(F)cc1[C@]2(O)C(F)(F)F ZINC000144754354 EG Annotated Anodyne COC(=O)c1ccc(F)c2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144754576 EG Annotated Anodyne COC(=O)c1ccc(F)c2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144754775 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)C=C(C)C)=C/C[C@H]12 ZINC000144758831 EG Annotated Reactive biogenic C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)CC(C)C)=C/C[C@H]12 ZINC000144759003 EG Annotated Reactive biogenic O=c1c2c[nH]c3ccccc3c-2nn1Cc1ccc(-n2cccn2)cc1 ZINC000144760185 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@@H]12)C(=O)C1=C(CC3)C(=O)OC1 ZINC000144782778 EG Annotated Mild CNCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144805246 EG Annotated Anodyne CNCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144805455 EG Annotated Anodyne COC(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144817076 EG Annotated Anodyne COC(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144817272 EG Annotated Anodyne Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncc(=O)n1C ZINC000144824372 EG Annotated Anodyne CC(=O)N(C)Cc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144842634 EG Annotated Anodyne CC(=O)N(C)Cc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144842840 EG Annotated Anodyne Cn1cc(-c2cnc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144890160 EG Annotated Anodyne Cn1cc(-c2cnc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144890385 EG Annotated Anodyne NC(=O)c1cc(Cl)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144915526 EG Annotated Anodyne NC(=O)c1cc(Cl)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144915718 EG Annotated Anodyne CC(C)[C@@]1(O)CC(=O)O[C@H]1C1=C[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O ZINC000014501509 EG Annotated Mild CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C/C=C(/C)C[C@H](O)[C@H]12 ZINC000014502177 EG Annotated Reactive Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 ZINC000014508112 EG Annotated Bother C=C[C@@]1(C)C[C@]2(Oc3c1c(=O)oc1cccc(C)c31)OC(C)(C)[C@@H]2O ZINC000014559646 EG Annotated Mild C=C[C@@]1(C)C[C@@]2(Oc3c1c(=O)oc1cccc(C)c31)OC(C)(C)[C@@H]2O ZINC000014559649 EG Annotated Mild COc1c(O)c2c3c(c1OC)CCN=C3C(C)(C)c1cc(O)ccc1-2 ZINC000014588287 EG Annotated Anodyne COC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(O)cccc13)OCO2 ZINC000014589621 EG Annotated Bother COC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2 ZINC000014591298 EG Annotated Bother in-vitro biogenic CC(=O)O[C@@H]1C=CC(=O)[C@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 ZINC000014594210 EG Annotated Mild CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 ZINC000014594212 EG Annotated Mild COc1cc2cc3c(c4c2c(n1)C(=O)c1c(OC)cccc1-4)OCO3 ZINC000014594658 EG Annotated Anodyne CCOC(=O)c1sc(NC(=O)c2ccc(Cl)nc2)c(C#N)c1C ZINC000014596687 EG Annotated Mild COc1ccc2c(=O)c3c(oc2c1)-c1ccc(OC)c(OC)c1CO3 ZINC000014610014 EG Annotated Anodyne COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3[N+](C)(C)CC2)OCO4 ZINC000014612194 EG Annotated Bother COC(=O)c1cccc2c[n+]3c(c(O)c12)-c1[nH]c2ccccc2c1CC3 ZINC000014613128 EG Annotated Anodyne CC1(C)C=Cc2c(c(C(C)(C)[C@H]3CO3)c3oc(=O)ccc3c2O)O1 ZINC000014614714 EG Annotated Anodyne Cc1cc(O)c(C)c2c1C(=O)Oc1cc(O)c(C(=O)O)c(C)c1O2 ZINC000014615679 EG Annotated Anodyne CC1(C)Oc2cc(O)c(C(=O)/C=C/c3ccccc3)c(O)c2C[C@@H]1O ZINC000014615962 EG Annotated Mild CC1(C)Oc2cc(O)c(C(=O)/C=C/c3ccccc3)c(O)c2C[C@H]1O ZINC000014615963 EG Annotated Mild CO[C@H]1c2cc(O)ccc2-c2c3c(cc4c2[C@@H]1N(C)CC4)OCO3 ZINC000014618048 EG Annotated Anodyne CO[C@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1[N+](C)([O-])CC4)OCO3 ZINC000014618060 EG Annotated Bother CC1(C)C=Cc2c(c(O)c3oc4ccc(O)cc4c(=O)c3c2O)O1 ZINC000014618653 EG Annotated Bother in-man COc1c(OC)c(OC)c2c3c(cc4ccccc42)NC(=O)C(=O)c13 ZINC000014618764 EG Annotated Bother O=C1C[C@@H](O)C2(Oc3cccc4cccc(c34)O2)c2cccc(O)c21 ZINC000014636386 EG Annotated Anodyne O=C1C[C@H](O)C2(Oc3cccc4cccc(c34)O2)c2cccc(O)c21 ZINC000014636388 EG Annotated Anodyne in-vitro biogenic O=C1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@@H]2O[C@H]12 ZINC000014636396 EG Annotated Anodyne O=C1CC[C@@H](O)[C@@H]2C1=C(O)C=CC21Oc2cccc3cccc(c23)O1 ZINC000014636430 EG Annotated Mild COC1=Cc2ccnc3c(N)c4cc(OC)c(OC)cc4c(c23)C1=O ZINC000014636700 EG Annotated Mild COC(=O)c1c(O)cc2oc3c(C(=O)O)c(C)cc(OC)c3c2c1C ZINC000014636957 EG Annotated Anodyne COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CO2)c(O)c1 ZINC000014638397 EG Annotated Mild COc1ccc2c(c1O)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000014643178 EG Annotated Anodyne in-man COc1ccc2c(c1O)O[C@@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000014643181 EG Annotated Anodyne in-man COc1ccc2c(c1O)O[C@H](c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000014643184 EG Annotated Anodyne in-man COc1ccc2c(c1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000014643187 EG Annotated Anodyne in-man COc1cc([C@@H]2CCc3ccc(OC)c(OC)c3O2)cc(O)c1OC ZINC000014643190 EG Annotated Anodyne in-man COc1cc([C@H]2CCc3ccc(OC)c(OC)c3O2)cc(O)c1OC ZINC000014643193 EG Annotated Anodyne in-man Oc1ccc(-c2c(O)c(O)c3c(oc4cc(O)c(O)cc43)c2O)cc1 ZINC000014645686 EG Annotated Clean COc1cc2c(c(OC)c1O)-c1oc3cc4c(cc3c1CO2)OCO4 ZINC000014648629 EG Annotated Anodyne COc1ccc2c(c1O)OCc1c-2oc2c(O)c(OC)c(OC)cc12 ZINC000014648633 EG Annotated Anodyne COC(=O)c1c(C)c(Oc2cc(C)cc(O)c2C=O)c(O)c(C)c1O ZINC000014653300 EG Annotated Anodyne COC(=O)c1c(C)c2c(c(C)c1O)OCc1c(O)cc(C)cc1O2 ZINC000014653318 EG Annotated Anodyne C=CCc1c(O)c(O)c2c(c1O)C(=O)C=C1C(C)=C(C)C(=O)C[C@@]12C ZINC000014659979 EG Annotated Mild CC[C@H]1C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C1)[C@@H]24 ZINC000014682204 EG Annotated Anodyne COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1OC)c1ccccc1 ZINC000014683353 EG Annotated Anodyne CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@@H]1Oc2cc(O)ccc2[C@@H]1CO3 ZINC000014685252 EG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H]2Cc2cc3c(cc21)OCO3 ZINC000014685306 EG Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)C2=O ZINC000014688360 EG Annotated Clean in-vitro biogenic CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2N ZINC000014688380 EG Annotated Clean in-man C=C(CCl)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689017 EG Annotated Reactive in-man C=C(CCl)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689019 EG Annotated Reactive in-man CC(C)=CC(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3c(O)c2O1 ZINC000014689173 EG Annotated Anodyne CC1=CC=C2C=C(C(C)C)C(O)=C(O)[C@]2(O)[C@@H]1CCC(=O)C(C)(C)O ZINC000014690204 EG Annotated Anodyne C[C@@]12Cc3oc4cc(O)ccc4c(=O)c3[C@@H](C1)c1ccc(O)cc1O2 ZINC000014690616 EG Annotated Anodyne COc1ccc2c(c1O)Oc1c(OC)ccc3c1[C@H](C2)[N+](C)([O-])CC3 ZINC000014690989 EG Annotated Bother Cc1ccc2c(c1CCC(=O)C(C)(C)O)C(=O)C(=O)C(C(C)C)=C2 ZINC000014693077 EG Annotated Mild in-man endogenous COc1c(CC[C@@H](C)C(=O)O)ccc2c(=O)c3c(O)cccc3oc12 ZINC000014693240 EG Annotated Bother COc1c(CC[C@H](C)C(=O)O)ccc2c(=O)c3c(O)cccc3oc12 ZINC000014693242 EG Annotated Bother in-vitro biogenic CSC1=CC(=O)O[C@]2(C)Oc3ccc4ccc(=O)oc4c3C[C@@]12C ZINC000014693407 EG Annotated Anodyne CSC1=CC(=O)O[C@]2(C)Oc3ccc4ccc(=O)oc4c3C[C@]12C ZINC000014693411 EG Annotated Anodyne COc1ccc2c(c1OC)[C@](C)(O)c1nccc3c(OC)ccc-2c13 ZINC000014709632 EG Annotated Anodyne CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@@H]1CCCNC1=O ZINC000014711441 EG Annotated Anodyne CC1=CCC[C@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@@H]1CCCNC1=O ZINC000014711444 EG Annotated Anodyne CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/C(=O)N[C@@H]1CCCNC1=O ZINC000014711450 EG Annotated Anodyne CCCc1c(O)cc2oc3cc(Br)cn3c(=O)c2c1O ZINC000014717348 EG Annotated Anodyne COc1c(OC)c2c3c(nccc3c1OC)C(=O)c1cc(O)ccc1-2 ZINC000014718404 EG Annotated Anodyne CC(C)c1cc(C=O)c2c(c1O)O[C@@H](O)[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000014719622 EG Annotated Anodyne COc1c2ccoc2nc2c(O)c3c(c(CCC(C)(C)O)c12)OCO3 ZINC000014721305 EG Annotated Anodyne COc1cc2c3c4c(c5ccccc5c3c1OC)C(=O)C(=O)N4CC2 ZINC000014721407 EG Annotated Bother CC[C@H]1C[n+]2ccc3c([nH]c4ccc(OC)cc43)c2C[C@@H]1CCO ZINC000014722624 EG Annotated Anodyne CN1CC[C@@]23C1=Nc1ccccc1[C@@]21CCN(C)[C@H]1Nc1ccccc13 ZINC000014722671 EG Annotated Anodyne CO[C@H]1C(=O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@@H]21 ZINC000014724652 EG Annotated Anodyne COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@H]3[N+](C)(C)CC2 ZINC000014725308 EG Annotated Clean COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@@H]3[N+](C)(C)CC2 ZINC000014725310 EG Annotated Clean in-vitro biogenic COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@@H](C2)[N+](C)(C)CC3 ZINC000014725320 EG Annotated Bother COc1ccc2c(c1OC)-c1c(O)c(O)cc3c1[C@@H](C2)[N+](C)(C)CC3 ZINC000014725338 EG Annotated Clean COc1ccc2c(c1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000014725340 EG Annotated Clean in-vitro biogenic COc1c(O)ccc2c1oc(=O)c1c3cc4c(cc3oc21)OCO4 ZINC000014726556 EG Annotated Bother COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC)C2=O ZINC000014728162 EG Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2=O ZINC000014728163 EG Annotated Anodyne COc1ccc([C@H]2COc3cc(OC)cc(OC)c3C2=O)c(OC)c1 ZINC000014758853 EG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4 ZINC000014763373 EG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4 ZINC000014763374 EG Annotated Anodyne COc1cc2c(cc1OC)[C@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4 ZINC000014763376 EG Annotated Anodyne COc1cc2c(cc1OC)[C@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4 ZINC000014763378 EG Annotated Anodyne COc1ccc2c(c1OC)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 ZINC000014763424 EG Annotated Anodyne COc1ccc2c(c1OC)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000014763425 EG Annotated Anodyne COc1ccc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 ZINC000014763427 EG Annotated Anodyne COc1ccc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000014763429 EG Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)O[C@@H](OC)[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000014763500 EG Annotated Anodyne COc1ccc2c(c1)O[C@H](OC)[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000014763501 EG Annotated Anodyne COc1ccc2c(OC)c3c(C)cc(=O)[nH]c3c(OC)c2c1OC ZINC000014764641 EG Annotated Bother CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC1=O)O[C@@H](C)C4 ZINC000014765504 EG Annotated Mild in-vitro biogenic COc1cc2c(c(OC)c1OC)CCN(C)[C@@H]2Cc1ccc(O)cc1 ZINC000014765600 EG Annotated Anodyne COc1c2c(cc3oc4c(O)c(O)ccc4c(=O)c13)O[C@@H](C)C2(C)C ZINC000014768912 EG Annotated Clean C#C/C=C\CCCCCCC#CC#CCCCC#CC#C[C@@H](O)CO ZINC000014770689 EG Annotated Mild COC(C)(C)c1ccc2c(c1O)CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C ZINC000014774570 EG Annotated Anodyne COc1ccc2c(c1)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000014775334 EG Annotated Bother Oc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1 ZINC000014779423 EG Annotated Anodyne CC1(C)C=Cc2c(cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O1 ZINC000014780235 EG Annotated Clean CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(O)c(O)ccc4oc23)O1 ZINC000014780240 EG Annotated Clean in-vitro biogenic CCOC(=O)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2 ZINC000014806197 EG Annotated Anodyne CCOC(=O)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2 ZINC000014806200 EG Annotated Anodyne C/C=C(\C)C(=O)C[C@]1(O)[C@@]2(C)CCCC(C)(C)[C@]2(O)CC[C@@]1(C)O ZINC000014812935 EG Annotated Mild COc1c([N+](=O)[O-])c2c(C(=O)O)cc3c(c2c2ccccc12)OCO3 ZINC000014815454 EG Annotated Bother CC(C)c1ccc2c(c1O)[C@@H](O)C[C@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000014823648 EG Annotated Anodyne CC(C)c1cc(O)c2c(c1O)C(=O)C[C@@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000014823683 EG Annotated Anodyne in-vitro CC1(C)C(=O)C(C)(C)[C@]23Oc4ccccc4[C@H](CC(=O)C2=C1O)O3 ZINC000014826931 EG Annotated Mild COc1ccc([C@@H](O)[C@@H](C)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1 ZINC000014828294 EG Annotated Anodyne in-man COc1ccc([C@H](O)[C@@H](C)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1 ZINC000014828296 EG Annotated Anodyne in-man COc1ccc([C@@H](O)[C@H](C)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1 ZINC000014828298 EG Annotated Anodyne in-man COc1ccc([C@H](O)[C@H](C)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1 ZINC000014828300 EG Annotated Anodyne in-man COC[C@@]1(CCC(C)=C(C)C)Nc2ccc(C(=O)O)cc2C[C@H]1O ZINC000014829640 EG Annotated Anodyne CC1(C)[C@@H](Br)CC[C@@]2(C)O[C@@H]3COC(=O)C3=CC[C@@H]12 ZINC000014854587 EG Annotated Reactive CC1(C)[C@@H]2CC=C3C(=O)OC[C@H]3O[C@]2(C)CC[C@H]1Br ZINC000014854590 EG Annotated Reactive CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3COC(=O)C3=CC[C@@H]12 ZINC000014854593 EG Annotated Reactive CC1(C)[C@@H]2CC=C3C(=O)OC[C@H]3O[C@@]2(C)CC[C@H]1Br ZINC000014854596 EG Annotated Reactive CC[C@H]1[C@@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000014857231 EG Annotated Anodyne CC[C@]12CCCN3CC[C@]4(c5cccc(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000014857319 EG Annotated Anodyne COC(=O)/C=C(\C(C)=O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 ZINC000014860879 EG Annotated Reactive COc1cc(-c2c(O)c(C=O)cc3cc(OC)c(O)cc23)ccc1O ZINC000014883501 EG Annotated Anodyne in-vitro biogenic CC(C)=CC(=O)C[C@](C)(O)[C@H]1COc2oc3cccc(C)c3c(=O)c21 ZINC000014883709 EG Annotated Mild O=C1c2[nH]cc3c2C(=NCC3)c2c(-c3c[nH]c4ccccc34)c[nH]c21 ZINC000014884373 EG Annotated Clean CC(C)[C@@H](O)CC[C@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1 ZINC000014887288 EG Annotated Anodyne in-man CC(C)[C@H](O)CC[C@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1 ZINC000014887291 EG Annotated Anodyne in-man CC(C)[C@@H](O)CC[C@@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1 ZINC000014887294 EG Annotated Anodyne in-man biogenic CC(C)[C@H](O)CC[C@@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1 ZINC000014887298 EG Annotated Anodyne in-man Cn1c(=O)c2c(c3ccccc31)O[C@](C)(C/C=C/C(C)(C)O)C=C2 ZINC000014887302 EG Annotated Anodyne in-man endogenous Cn1c(=O)c2c(c3ccccc31)O[C@@](C)(C/C=C/C(C)(C)O)C=C2 ZINC000014887305 EG Annotated Anodyne in-man endogenous Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1 ZINC000014945638 EG Annotated Anodyne Nc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1 ZINC000014945645 EG Annotated Clean Nc1nc(Nc2ccccn2)ccc1C(=O)c1c(F)cccc1F ZINC000014945657 EG Annotated Anodyne NC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1ccc1[nH]ncc12 ZINC000014945801 EG Annotated Anodyne O=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1ccc(O)c(Cl)c1 ZINC000014946002 EG Annotated Anodyne O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1ccc(O)c(Cl)c1 ZINC000014946004 EG Annotated Anodyne N#CCN(Cc1ccccc1)C(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000014948876 EG Annotated Mild C/C(=C\c1ccco1)CNCc1cccnc1N1CCCN(C)CC1 ZINC000014950351 EG Annotated Anodyne Cc1cccc2oc(=O)c3c(c12)O[C@@H](C)[C@@]3(C)CC(=O)[C@@H]1OC1(C)C ZINC000014950836 EG Annotated Anodyne Cc1cccc2oc(=O)c3c(c12)O[C@H](C)[C@@]3(C)CC(=O)[C@@H]1OC1(C)C ZINC000014950840 EG Annotated Anodyne CC(C)CC(=O)O[C@H]1C[C@](C)(O)C=C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]12 ZINC000014957307 EG Annotated Anodyne N[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1cccc(O)c1 ZINC000014957616 EG Annotated Anodyne C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(Cl)cc1 ZINC000014958625 EG Annotated Anodyne Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OC1CCCC1 ZINC000014959854 EG Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)o1 ZINC000014960487 EG Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)o1 ZINC000014960491 EG Annotated Anodyne CCOC(=O)C1(CCOC)CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000014963456 EG Annotated Anodyne CCOC(=O)C1(CCOC)CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000014963460 EG Annotated Anodyne COC(=O)c1ccc(Nc2nc(SCc3ccccn3)n[nH]2)cc1 ZINC000014964287 EG Annotated Anodyne COC(=O)c1ccc(Nc2nc(SCc3ccncc3)n[nH]2)cc1 ZINC000014964291 EG Annotated Anodyne N=C(N)/N=C(\N)SCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014966668 EG Annotated Mild COc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966816 EG Annotated Anodyne COc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966820 EG Annotated Anodyne CC(C)CN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21 ZINC000014967273 EG Annotated Anodyne CC1=C2C[C@H]3O[C@]3(C)CC[C@H]3O[C@]3(C)C[C@@]2(OCC(C)C)OC1=O ZINC000014972022 EG Annotated Anodyne CC1=C2C[C@H]3O[C@]3(C)CC[C@H]3O[C@]3(C)C[C@]2(OCC(C)C)OC1=O ZINC000014972025 EG Annotated Anodyne C[C@@H]1CC[C@@]23O[C@@]2(CC[C@@H](O)C3(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000014972058 EG Annotated Anodyne CCN1CCc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21 ZINC000014973578 EG Annotated Clean O=C(O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12 ZINC000014974711 EG Annotated Anodyne NCCc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000014975910 EG Annotated Anodyne NCCc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12 ZINC000014975936 EG Annotated Anodyne Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)Cc1ccsc1 ZINC000014979468 EG Annotated Anodyne Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)Cc1ccsc1 ZINC000014979471 EG Annotated Anodyne COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000014980549 EG Annotated Anodyne Cc1nc(-c2ccc3c(c2)c(C#N)cn3[C@@H](C)CO)sc1C(=O)O ZINC000145115895 EG Annotated Anodyne Cc1nc(-c2ccc3c(c2)c(C#N)cn3[C@H](C)CO)sc1C(=O)O ZINC000145116102 EG Annotated Anodyne C=C1CC/C=C(\C)CC[C@@H]2/C(=C\CC=C(CO)CO)COC(=O)[C@@H]12 ZINC000145211587 EG Annotated Mild O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)cc12 ZINC000145284910 EG Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)cc12 ZINC000145285117 EG Annotated Anodyne Cc1c(C(=O)/C=C/c2ccc(F)cc2)[n+](=O)c2ccccc2n1O ZINC000145358036 EG Annotated Mild O=c1c(Cc2ccccc2)ccc2n1C[C@H]1CCCN3CCC[C@@H]2[C@H]13 ZINC000145375959 EG Annotated Anodyne C=C1CC=C[C@]2(C)CC[C@H](/C(C=O)=C\C=C\C(C)(C)O)[C@H]1C(=O)O2 ZINC000145574509 EG Annotated Reactive CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3COC(=O)C3=CC[C@H]12 ZINC000145675571 EG Annotated Unstable C[C@@H](Oc1cc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000146164570 EG Annotated Anodyne C[C@@H]1CC[C@@]23CO[C@@H](C=C2CO)C[C@@H]3[C@@]1(C)CCC1=CCOC1=O ZINC000146208460 EG Annotated Anodyne CN(C)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 ZINC000146714757 EG Annotated Anodyne C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]12OC3=O ZINC000146758754 EG Annotated Mild COc1ccc(C[C@@H]2COc3c(C)c(OC)c(C)c(O)c3C2=O)cc1 ZINC000146992737 EG Annotated Anodyne O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)cccc1F ZINC000147217426 EG Annotated Anodyne CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(F)cc2)on1 ZINC000147432435 EG Annotated Anodyne [C-]#[N+]c1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1 ZINC000147470202 EG Annotated Anodyne Cc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3 ZINC000147521805 EG Annotated Anodyne COc1cc([S@@](=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000147551100 EG Annotated Anodyne COc1cc([S@](=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000147551192 EG Annotated Anodyne Cc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(oc12)CCNC3 ZINC000147556961 EG Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3 ZINC000147595952 EG Annotated Anodyne O=S(=O)(c1ccc(F)cc1)c1cc(F)c2oc3c(c2c1)CNCC3 ZINC000147619244 EG Annotated Anodyne CCNC(=O)Nc1ccc(-c2nc3cccc(C(=O)O)c3s2)cn1 ZINC000147911590 EG Annotated Anodyne Cc1ccncc1N1CCN(c2cn(C)c3cccc(C#N)c23)C1=O ZINC000148100098 EG Annotated Mild C[C@@H](O)c1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O ZINC000148293498 EG Annotated Anodyne C[C@H](O)c1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O ZINC000148293702 EG Annotated Anodyne COCCNc1nccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148302895 EG Annotated Anodyne COc1nccc2sc(N3CCN(c4cnccc4C)C3=O)cc12 ZINC000148351541 EG Annotated Anodyne CN(C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148411649 EG Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000148461528 EG Annotated Anodyne CC(C)[C@](O)(c1ccc2cc(OC(F)F)ccc2c1)c1c[nH]nn1 ZINC000148510022 EG Annotated Anodyne CC(C)[C@@](O)(c1ccc2cc(OC(F)F)ccc2c1)c1c[nH]nn1 ZINC000148510195 EG Annotated Anodyne Cc1ccncc1N1CCN(c2ccn3c(Cl)cnc3c2)C1=O ZINC000148536651 EG Annotated Anodyne Cc1ncnc(-c2ccc(C3CC3)nc2)c1C#Cc1ccc(N)nc1 ZINC000148558039 EG Annotated Mild O=C1N(c2cnc3[nH]cnc3c2)CCN1c1ccc2ncsc2c1 ZINC000148626719 EG Annotated Anodyne COc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O ZINC000148635488 EG Annotated Anodyne Cc1ncnc(-c2cnc3ccccc3c2)c1C#Cc1ccc(N)nc1 ZINC000148643870 EG Annotated Mild CCN(c1ccc(OC)c(OC)c1)c1nc(=O)c2cccnc2s1 ZINC000148738872 EG Annotated Anodyne CCc1ncnc(-c2ccc(C3CC3)nc2)c1C#Cc1ccc(N)nc1 ZINC000148874070 EG Annotated Mild CCc1cc(-c2ncnc(CC)c2C#Cc2ccc(N)nc2)ccn1 ZINC000148881911 EG Annotated Mild COc1nccc2scc(N3CCN(c4cnccc4C)C3=O)c12 ZINC000148883191 EG Annotated Anodyne CCC/C=C/c1ccc2c(c1)[C@]1(COC(N)=N1)C1(COC1)C(C)(C)O2 ZINC000148951091 EG Annotated Anodyne CCC/C=C/c1ccc2c(c1)[C@@]1(COC(N)=N1)C1(COC1)C(C)(C)O2 ZINC000148951283 EG Annotated Anodyne CCc1ncnc(-c2cc(C)nc(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148989737 EG Annotated Mild Cn1ccc2cc(-c3ccc4oc(N5CCNCC5)nc4c3)ccc21 ZINC000149196566 EG Annotated Anodyne Cc1ccncc1N1CCN(c2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000149262916 EG Annotated Anodyne CCc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21 ZINC000149271434 EG Annotated Anodyne NC1=N[C@@H](CCc2cc(C(F)(F)F)ccc2C(F)(F)F)CO1 ZINC000149272491 EG Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CO)[C@@H]1[C@@H](O)C2=O ZINC000149601907 EG Annotated Anodyne Clc1ncc(Cl)c(Nc2ccc([C@H]3CNCCO3)cc2)n1 ZINC000149914044 EG Annotated Anodyne Cc1cc(C(F)(F)F)nc(Nc2ccc([C@@H]3CNCCO3)cc2)n1 ZINC000149934071 EG Annotated Anodyne Cc1cc(C(F)(F)F)nc(Nc2ccc([C@H]3CNCCO3)cc2)n1 ZINC000149935379 EG Annotated Anodyne Cc1cc([C@@H]2CNCCO2)ccc1NC(=O)Nc1ccc(Cl)nc1 ZINC000149938466 EG Annotated Anodyne Cc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1 ZINC000149942743 EG Annotated Anodyne Cc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1 ZINC000149944410 EG Annotated Anodyne c1ccc(Cn2ccc(Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1 ZINC000149950977 EG Annotated Anodyne c1ccc(Cn2ccc(Nc3ccc([C@@H]4CNCCO4)cc3)n2)cc1 ZINC000149952291 EG Annotated Anodyne Clc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1 ZINC000149952576 EG Annotated Anodyne Clc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1 ZINC000149952986 EG Annotated Anodyne Clc1cc(Nc2ncc(C3CC3)cn2)ccc1[C@H]1CNCCO1 ZINC000149953524 EG Annotated Anodyne Clc1cc(Nc2ncc(C3CC3)cn2)ccc1[C@@H]1CNCCO1 ZINC000149954597 EG Annotated Anodyne Brc1ccc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 ZINC000149962252 EG Annotated Anodyne Fc1cc(Nc2ncc(C(F)(F)F)cn2)ccc1[C@H]1CNCCO1 ZINC000149966020 EG Annotated Anodyne Fc1cc(Nc2ncc(C(F)(F)F)cn2)ccc1[C@@H]1CNCCO1 ZINC000149967594 EG Annotated Anodyne Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1 ZINC000149968966 EG Annotated Anodyne Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1 ZINC000149969174 EG Annotated Anodyne Brc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)nc1 ZINC000149977430 EG Annotated Anodyne N#Cc1c(N)c2ccccn2c1C(=O)c1ccc(Br)cc1 ZINC000001514683 EG Annotated Mild CC(=O)OC[C@@H](C#Cc1ccc(-c2cccs2)s1)OC(C)=O ZINC000001530007 EG Annotated Mild in-vitro CC(=O)OC[C@H](C#Cc1ccc(-c2cccs2)s1)OC(C)=O ZINC000001530008 EG Annotated Mild in-vitro CNCC[C@@]1(c2ccc(OC)c(OC)c2)CCc2ncccc2C1 ZINC000001532505 EG Annotated Anodyne Cn1c(N)nc(Cc2ccc(CCCCO)cc2)c1Cc1ccccc1 ZINC000001535343 EG Annotated Anodyne C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CCC[C@H]1C2 ZINC000001545829 EG Annotated Mild C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2 ZINC000001546299 EG Annotated Mild Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c2c1CCC2 ZINC000001549243 EG Annotated Anodyne CN[C@@H](c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1 ZINC000001549674 EG Annotated Anodyne O=C(O)CCn1ccc2cc(OCCCNc3ccccn3)ccc21 ZINC000001553395 EG Annotated Anodyne O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccc(F)cc1F ZINC000001553482 EG Annotated Anodyne CC(=O)Oc1c2c(c(OC(C)=O)c3cc(Cl)ccc13)OCCO2 ZINC000001554437 EG Annotated Anodyne CC(=O)OCc1c(COC(C)=O)c(-c2ccccc2)n2c1CCC2 ZINC000001557872 EG Annotated Anodyne N=C(N)Nc1ccccc1SSc1ccccc1NC(=N)N ZINC000001571141 EG Annotated Reactive C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@@H](O)C1=O ZINC000001571973 EG Annotated Mild CC(C)C1=CC(=O)C2=C(CC[C@@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=O ZINC000001572127 EG Annotated Mild CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2N ZINC000001572459 EG Annotated Clean in-man CC[C@@H](C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 ZINC000001608516 EG Annotated Anodyne in-man endogenous CC[C@H](C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 ZINC000001608517 EG Annotated Anodyne in-man endogenous CC[C@@H](C)C(=O)OC[C@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 ZINC000001608518 EG Annotated Anodyne in-man endogenous CC[C@H](C)C(=O)OC[C@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 ZINC000001608519 EG Annotated Anodyne in-man endogenous C[n+]1cc2cc3c(cc2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000001612238 EG Annotated Bother in-vitro biogenic COc1ccc2c(c1OC)-c1c3c(cc4ccnc(c14)C2=O)OCO3 ZINC000001613391 EG Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@]1(O)C3 ZINC000001616088 EG Annotated Mild O=C(c1ccccc1)[C@H](c1ccccc1)[C@]1(O)C(=O)Nc2ccccc21 ZINC000001616301 EG Annotated Anodyne O=C(c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2ccccc21 ZINC000001616302 EG Annotated Anodyne O=C(c1ccccc1)[C@H](c1ccccc1)[C@@]1(O)C(=O)Nc2ccccc21 ZINC000001616303 EG Annotated Anodyne O=C(c1ccccc1)[C@@H](c1ccccc1)[C@@]1(O)C(=O)Nc2ccccc21 ZINC000001616304 EG Annotated Anodyne COC(=O)[C@@H](CC(=O)c1ccccc1)c1ccccc1NC(C)=O ZINC000001616559 EG Annotated Anodyne CO[C@@H]1[C@H](OC(=S)Nc2ccccc2)c2ccccc2N1C(C)=O ZINC000001616567 EG Annotated Anodyne CO[C@@H]1[C@@H](OC(=S)Nc2ccccc2)c2ccccc2N1C(C)=O ZINC000001616569 EG Annotated Anodyne CCOC(=O)c1sc2c(C(=O)OCC)n3ccccc3c2c1N ZINC000001617257 EG Annotated Anodyne COc1ccc(O[C@@H](C(=O)O)c2ccccc2)c2c1CCCC2=O ZINC000001617930 EG Annotated Anodyne CCOC(=O)c1cc(OC(=O)CC)c2c(OC)ccc(OC)c2c1 ZINC000001618073 EG Annotated Anodyne CCCNC(=O)N(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001618711 EG Annotated Anodyne CCCNC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001618712 EG Annotated Anodyne CCOC(=O)[C@H](NO)[C@H](Sc1ccccc1)c1ccc(OC)cc1 ZINC000001619745 EG Annotated Anodyne CCOC(=O)[C@@H](NO)[C@H](Sc1ccccc1)c1ccc(OC)cc1 ZINC000001619746 EG Annotated Anodyne CCOC(=O)[C@H](NO)[C@@H](Sc1ccccc1)c1ccc(OC)cc1 ZINC000001619747 EG Annotated Anodyne CCOC(=O)[C@@H](NO)[C@@H](Sc1ccccc1)c1ccc(OC)cc1 ZINC000001619748 EG Annotated Anodyne O=c1/c(=C/c2c(O)ccc3ccccc23)sc2nc3ccccc3n12 ZINC000001623213 EG Annotated Anodyne COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c(C)c(C)nc12 ZINC000001625756 EG Annotated Bother C=CCO/N=C(\OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001625764 EG Annotated Mild COc1ccc([C@@H]2Cc3cc(OC)c(OC)c(OC)c3C2=O)cc1 ZINC000001626205 EG Annotated Anodyne CCCNCc1nc2ccc(Br)cc2c(=O)n1CCC ZINC000001626368 EG Annotated Anodyne O=C1C2=C(c3ccccc31)[C@@H](c1ccccc1)N1C(=O)CSC1=N2 ZINC000001626631 EG Annotated Mild C[C@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000001628783 EG Annotated Mild Clc1ccc(-n2nnc(C3=NCCCN3)c2-c2ccccc2)cc1 ZINC000001629420 EG Annotated Anodyne Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1 ZINC000001629423 EG Annotated Anodyne O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3)c2C2=NCCN2)cc1 ZINC000001629436 EG Annotated Bother CC(C)NCCC[C@H](C)Nc1ccnc2ccc3nn(C)nc3c12 ZINC000001629886 EG Annotated Anodyne CCOC1=C2N=C(Cc3ccc(F)cc3)N[C@H]2C(=O)c2ccccc21 ZINC000001630237 EG Annotated Anodyne CN1N=C(Nc2ccccc2)Sc2c1cnn(-c1ccccc1)c2=O ZINC000001630241 EG Annotated Anodyne Cn1c2c(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CC2 ZINC000001630793 EG Annotated Anodyne Cn1cc2ccccc2c1-c1nc(F)nc(Nc2ccc(N)cc2)n1 ZINC000001631754 EG Annotated Clean O=C(Nc1ccc(Cl)cc1)C(=O)C1=C(O)c2ccccc2OC1 ZINC000001631869 EG Annotated Mild O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl ZINC000001632070 EG Annotated Reactive O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl ZINC000001632071 EG Annotated Reactive Cc1c(-c2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000001633137 EG Annotated Anodyne O=C(NNC(=O)c1nsc2ccccc12)c1ccc(Cl)cc1 ZINC000001633443 EG Annotated Reactive CCNC1=Nc2ccccc2-n2c(nn3nc4ccccc4c23)N1CC ZINC000001634528 EG Annotated Anodyne COC(OC)c1cccc2c1C(=O)CCC1(CC2)OCCCCO1 ZINC000001634641 EG Annotated Anodyne COC1(OC)CCCC[C@H]2c3cccc(OC(C)=O)c3[C@]21OC(C)=O ZINC000001634681 EG Annotated Anodyne COC1(OC)CCCC[C@@H]2c3cccc(OC(C)=O)c3[C@@]21OC(C)=O ZINC000001634682 EG Annotated Anodyne COC1(OC)CCCC[C@H]2c3cccc(OC(C)=O)c3[C@@]21OC(C)=O ZINC000001634683 EG Annotated Anodyne COC(OC)c1cccc2c1C(=O)CC[C@@]1(O)c3ccccc3[C@H]1C2 ZINC000001634688 EG Annotated Anodyne COC(OC)c1cccc2c1C(=O)CC[C@]1(O)c3ccccc3[C@H]1C2 ZINC000001634689 EG Annotated Anodyne COC(OC)c1cccc2c1C(=O)CC[C@]1(O)c3ccccc3[C@@H]1C2 ZINC000001634690 EG Annotated Anodyne O=C1C(c2ccc([N+](=O)[O-])cc2)=C(Cl)C(=O)c2c(O)cccc21 ZINC000001635013 EG Annotated Mild O=C1C(Cl)=C(c2ccc([N+](=O)[O-])cc2)C(=O)c2c(O)cccc21 ZINC000001635014 EG Annotated Mild CC(=O)NC1(NC(C)=O)[C@H]2C[C@@H]([C@H]1Cc1ccccc1)C(C)(C)[C@@H]2C ZINC000001635164 EG Annotated Anodyne N#Cc1ccc(NC(=Nc2ccc3ccccc3c2)NCC(=O)O)cc1 ZINC000001638084 EG Annotated Mild CC(CCC#N)(CCC#N)C(=O)CC(O)(C(F)(F)F)C(F)(F)F ZINC000001639214 EG Annotated Mild Cc1cc(C)n(C(C)(C(=O)Cc2ccccc2)n2nc(C)cc2C)n1 ZINC000001642241 EG Annotated Anodyne Cc1cc2c(c(S(=O)(=O)c3ccccc3[N+](=O)[O-])c1)NCCC2 ZINC000001642738 EG Annotated Bother Nc1ncc(Cl)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 ZINC000001645707 EG Annotated Anodyne Nc1nc(Cl)cc(NCC2(CO)CC(CCc3ccccc3)C2)n1 ZINC000001645737 EG Annotated Anodyne CC(=O)Oc1ccn2nc(C)c(Br)c2c1Br ZINC000001647324 EG Annotated Anodyne O=C(O)COc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3 ZINC000001649437 EG Annotated Anodyne O=C1c2cc(Cl)ccc2N=C(NC2CCCC2)[C@@H]2CSCN12 ZINC000001649452 EG Annotated Anodyne CN(C)CCNc1ncnc2[nH]c(-c3ccc4ccccc4c3)nc12 ZINC000001649543 EG Annotated Anodyne CN(C)CCNc1nc(-c2ccc3ccccc3c2)nc2[nH]cnc12 ZINC000001649544 EG Annotated Anodyne CCN(CC)c1c(C(C)(C)C)c(=O)n2ccsc2c1OC(C)=O ZINC000001650073 EG Annotated Anodyne CN(CC(=O)O)c1ncc2c(n1)-c1ccccc1O[C@H]2c1ccccc1 ZINC000001651214 EG Annotated Anodyne O=c1c2c3c(sc2nc2n1N=CN(c1ccccc1)C2)CCCC3 ZINC000001651329 EG Annotated Anodyne Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(F)cc1)C3 ZINC000001651337 EG Annotated Anodyne COC(=O)c1cc(Br)c(C(=O)C(Cl)(Cl)Cl)[nH]1 ZINC000001653344 EG Annotated Anodyne Cc1ccc(S(=O)(=O)c2ccsc2NC(=O)C(F)(F)F)cc1 ZINC000001653567 EG Annotated Anodyne CC(C)OP(=O)(OC(C)C)c1c(N)n[nH]c1Nc1ccccc1 ZINC000001655259 EG Annotated Anodyne CN(CCSCCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000001656520 EG Annotated Anodyne Cc1c(-c2ccccc2)c(C#N)c2nnn(C3CCCCC3)c(=O)n12 ZINC000001657799 EG Annotated Mild O=CN(CCN1CCCC1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC000001657944 EG Annotated Anodyne Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@H](Cc3ccccc3)C2)n1 ZINC000001658380 EG Annotated Anodyne Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@@H](Cc3ccccc3)C2)n1 ZINC000001658381 EG Annotated Anodyne Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@H](Cc3ccccc3)C2)n1 ZINC000001658382 EG Annotated Anodyne Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@@H](Cc3ccccc3)C2)n1 ZINC000001658383 EG Annotated Anodyne COc1nc2ccc(Cl)c([C@H](O)c3ccccc3)c2nc1OC ZINC000001662002 EG Annotated Anodyne COc1ccc(C[C@H]2COc3cc(OC)cc(OC)c3C2=O)cc1 ZINC000001663393 EG Annotated Anodyne in-vitro biogenic C[C@H]1CN(C(=S)Nc2ccccc2)[C@H](C)CN1c1ccccn1 ZINC000001694713 EG Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12 ZINC000001702575 EG Annotated Anodyne COc1c(O)ccc2c1c[n+](C)c1c3cc4c(cc3ccc21)OCO4 ZINC000001763759 EG Annotated Bother in-vitro biogenic CCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001818402 EG Annotated Mild CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O ZINC000001859054 EG Annotated Mild COc1cc2c(cc1OC)O[C@H](c1c(OC)ccc(OC)c1O)CC2 ZINC000001859805 EG Annotated Anodyne CCOC(=O)[C@@H](C)c1nc2cc3cccnc3c(Cl)c2nc1O ZINC000001859808 EG Annotated Bother CCOC(=O)[C@@]1(C/C=C/CBr)Cc2ccccc2C1=O ZINC000001860179 EG Annotated Reactive CCOC(=O)[C@]1(C/C=C/CBr)Cc2ccccc2C1=O ZINC000001860182 EG Annotated Reactive CO[C@H]1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3[C@@H]12 ZINC000001860360 EG Annotated Anodyne CO[C@@H]1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3[C@@H]12 ZINC000001860361 EG Annotated Anodyne CO[C@H]1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3[C@H]12 ZINC000001860363 EG Annotated Anodyne CO[C@@H]1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3[C@H]12 ZINC000001860364 EG Annotated Anodyne CCCCc1ccc(N2C(=O)c3cc(C)cnc3S2(=O)=O)cc1 ZINC000001860713 EG Annotated Anodyne N#C[C@H](c1nc2ccccc2s1)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000001861463 EG Annotated Mild CN(C)P(=O)(Oc1occc1[C@@H](O)Cc1ccccc1)N(C)C ZINC000001862096 EG Annotated Anodyne COCCCOc1cc2[n+](cc1C)-c1nc3ccccc3n1SC2 ZINC000001914575 EG Annotated Anodyne in-man O=C(NCc1ccccc1)[C@@H]1CC12CCN(C(=O)C1=CCCC1)CC2 ZINC000015000756 EG Annotated Anodyne O=C(NCc1ccccc1)[C@H]1CC12CCN(C(=O)C1=CCCC1)CC2 ZINC000015000758 EG Annotated Anodyne CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@H]1O)OCO3 ZINC000015045092 EG Annotated Anodyne CC(C)c1ccc2c(c1O)C(=O)C[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C ZINC000015045523 EG Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(\C)CC[C@@H]2O ZINC000015049202 EG Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(\C)[C@@H](O)CC/C(C)=C/CC[C@]2(C)O ZINC000015049229 EG Annotated Mild C=C1CC[C@@H]2C[C@@H](OC(=O)C2=C)[C@@](C)(O)CC/C=C(\C)CC[C@@H]1O ZINC000015049242 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C=C12 ZINC000015054478 EG Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@H]12 ZINC000015054841 EG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000015055024 EG Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000015055027 EG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000015055030 EG Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000015055031 EG Annotated Anodyne in-man C=C1C(=O)C(O)=C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)CO)CC[C@]12C ZINC000015055470 EG Annotated Mild Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@H](C2=O)[C@@H](O)CC[C@H]1C ZINC000015058377 EG Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000015058941 EG Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000015060994 EG Annotated Mild CC1=C(CCC2=CC(=O)OC2)[C@@]2(C)C[C@@H](O)CC(C)(C)[C@@H]2[C@@H](O)C1 ZINC000015061224 EG Annotated Anodyne Cc1ncc(CNCc2cccnc2N(C)C2CCCCC2)n1C ZINC000015063926 EG Annotated Anodyne Cc1cnc(CNc2nncc(-c3cccc4ccccc34)n2)cn1 ZINC000015065717 EG Annotated Anodyne CCCc1ccc2oc(C(=O)NCCc3cnn(C)c3)c(C)c2c1 ZINC000015066168 EG Annotated Anodyne Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccncc3)CC2)cc1C ZINC000015068978 EG Annotated Anodyne CN(CCC1CCOCC1)c1nncc(-c2cccc(Cl)c2)n1 ZINC000015071546 EG Annotated Anodyne CCn1cc(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)c(C)n1 ZINC000015071648 EG Annotated Anodyne CCn1cc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)c(C)n1 ZINC000015071650 EG Annotated Anodyne Cc1ccc(C(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000015073107 EG Annotated Anodyne Cc1ccc(C(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000015073108 EG Annotated Anodyne Cc1cccc(CN2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)c1 ZINC000015073120 EG Annotated Anodyne Cc1cccc(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2)c1 ZINC000015073121 EG Annotated Anodyne CCCCc1nc2cc(C(=O)NCc3cn(C)nc3C)ccc2o1 ZINC000015075178 EG Annotated Anodyne C=C1[C@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000015107397 EG Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000015107400 EG Annotated Mild in-man endogenous C=C1[C@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000015107403 EG Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000015107406 EG Annotated Mild in-man endogenous CC1(C)C(=O)C(O)=C[C@]2(C)[C@H]3CC[C@@](C)(C(=O)CO)C=C3CC[C@@H]12 ZINC000015114009 EG Annotated Mild C=C1CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@H]2C(=C)CC[C@@H]1O ZINC000015119072 EG Annotated Mild C=C1CC(=O)/C=C(/C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 ZINC000015119095 EG Annotated Mild C=CC(C)(C)[C@]1(OC)C(=O)Oc2cc3occc3c(OC)c2C1=O ZINC000015120953 EG Annotated Mild C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3cc(O)c(O)cc3oc12 ZINC000015121024 EG Annotated Mild in-vitro biogenic O=C1c2cc3ccoc3cc2O[C@@H]2COc3cc4c(cc3[C@@H]12)OCO4 ZINC000015147370 EG Annotated Anodyne in-man COC1=C2C(C)(C)C(=O)C=C[C@@]2(C)c2c(cc(C)c(O)c2OC)C1=O ZINC000015148264 EG Annotated Mild Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)C1=C(C=CC2)C(=O)OC1 ZINC000015148285 EG Annotated Anodyne COc1c2c(cc3c1OCO3)[C@]13C[C@@H](OC)CC=C1CCN3CCC2 ZINC000015148607 EG Annotated Anodyne COc1cc([C@@H](O)CCO)cc2cc(-c3ccc4c(c3)OCO4)oc12 ZINC000015149520 EG Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)C1=CC=C[C@H]32 ZINC000015155075 EG Annotated Anodyne C=C1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015155119 EG Annotated Mild COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)[C@H]1CC[C@]3(C)CO1 ZINC000015158761 EG Annotated Mild C=C1[C@H](O)CC[C@]2(C)CC[C@]3(O)O[C@]12C[C@]3(C)CCC(=O)C(C)C ZINC000015159330 EG Annotated Mild C=C1CCC[C@]2(C)C[C@H](O)[C@]3(O)O[C@]12C[C@]3(C)CCC(=O)C(C)C ZINC000015159338 EG Annotated Mild CC(=O)O[C@@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000015160721 EG Annotated Anodyne C[C@@H]1CC[C@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000015162801 EG Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000015162827 EG Annotated Anodyne biogenic C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]23O[C@H]2C=C[C@H](C)[C@]13C ZINC000015163644 EG Annotated Mild CC1=C(CCc2ccoc2)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2[C@@H](O)C1=O ZINC000015164707 EG Annotated Mild in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)O/C(=C(\CO)C(=O)C=O)C[C@H]21 ZINC000015166233 EG Annotated Mild Cc1ccc([C@]2(COC(=O)CC(C)C)CO2)c(OC(=O)C(C)C)c1 ZINC000015169440 EG Annotated Anodyne in-man metabolite Cc1ccc([C@@]2(COC(=O)CC(C)C)CO2)c(OC(=O)C(C)C)c1 ZINC000015169442 EG Annotated Anodyne in-man metabolite CC[C@@H]1CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C=C[C@@H]12 ZINC000015203411 EG Annotated Anodyne CC(C)(O)[C@H]1Cc2c(ccc3c2O[C@H]2c4ccc(O)cc4OC[C@@H]32)O1 ZINC000015203754 EG Annotated Anodyne CC(C)CNC(=O)/C=C/C=C/C[C@@H]1CCc2cc3c(cc2O1)OCO3 ZINC000015204164 EG Annotated Anodyne CC(C)CNC(=O)/C=C/C=C/C[C@H]1CCc2cc3c(cc2O1)OCO3 ZINC000015204166 EG Annotated Anodyne COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)[N+]1(C)C)OCO4 ZINC000015204433 EG Annotated Bother CCO[C@@H]1OC(=O)c2c(OC)c(C)c(OCC=C(C)C)c(CO)c21 ZINC000015204705 EG Annotated Anodyne CCO[C@@H]1OC(=O)c2c(OC)c(C)c(OCC=C(C)C)c(C=O)c21 ZINC000015204707 EG Annotated Anodyne C=C[C@]1(C)C[C@](O)([C@@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21 ZINC000015204719 EG Annotated Mild COc1cccc2c1C(=O)c1c(cc3cc([C@@H](C)O)ccc3c1O)C2=O ZINC000015204913 EG Annotated Clean C=C[C@](C)(O)C[C@@H](/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)OC(C)=O ZINC000015213937 EG Annotated Mild COn1c(Br)c2c3c(cccc31)[C@H]1C[C@@H](C)CN(C)[C@@H]1C2 ZINC000015215697 EG Annotated Anodyne CC1(C)Oc2c(c(O)cc(O)c2C(=O)/C=C/c2ccccc2)C[C@@H]1O ZINC000015216758 EG Annotated Mild C=CC(C)(C)[C@@]12Nc3cc(Br)ccc3[C@]1(O)CCN2C ZINC000015217252 EG Annotated Mild CC(C)=CCN1c2cc(Br)ccc2[C@@]2(O)CCN(C)[C@@H]12 ZINC000015217254 EG Annotated Anodyne COc1c(O)ccc2c(C=O)c3c4c(cc5c(c4c12)OCO5)CCN3 ZINC000015217415 EG Annotated Bother O=Cc1c2c3c(cc4c(c3c3c5c(ccc13)OCO5)OCO4)CCN2 ZINC000015217417 EG Annotated Bother COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3CCC2 ZINC000015217665 EG Annotated Anodyne in-vitro biogenic CC#CC#C[C@@H](OC(=O)CC(C)C)c1cccc(OC)c1C(=O)OC ZINC000015218719 EG Annotated Mild Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@@]1(C)O ZINC000015221196 EG Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@@]1(C)O ZINC000015221202 EG Annotated Anodyne [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2c1C(=O)N(Cc1ccccc1)S2=O ZINC000015240291 EG Annotated Mild COC1=C[C@@]23C[C@@H](C[C@@H](c4ccc5c(c4)OCO5)[C@@H]2C)OC3=CC1=O ZINC000015249215 EG Annotated Mild in-vitro biogenic COc1cc2ccc1Oc1cc(ccc1O)C[C@H](O)C(=O)CCCC2 ZINC000015251176 EG Annotated Anodyne in-vitro biogenic COc1cc2ccc1Oc1cc(ccc1O)C[C@@H](O)C(=O)CCCC2 ZINC000015251179 EG Annotated Anodyne C=C(C)[C@@H]1Cc2cc3c(cc2O1)C(=O)c1cc(O)c(C)c(O)c1C3=O ZINC000015251584 EG Annotated Mild COc1ccc2c(c1O)-c1c(OC)c(OC)cc3ccnc(c13)C2=O ZINC000015257689 EG Annotated Anodyne CC(C)C(=O)OCc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)C=C3 ZINC000015263870 EG Annotated Anodyne O=C1NC[C@@H](c2c[nH]c3ccccc23)N[C@H]1c1c[nH]c2ccccc12 ZINC000015266964 EG Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@@]23C(=O)O[C@@H](c2ccoc2)C[C@@]13O ZINC000015267346 EG Annotated Mild CCOC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000015273432 EG Annotated Anodyne FC(F)(F)c1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cn1 ZINC000150037902 EG Annotated Anodyne Clc1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1 ZINC000150051531 EG Annotated Anodyne C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000153243341 EG Annotated Anodyne C=C[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000153254209 EG Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000153510163 EG Annotated Reactive CC[C@@H](C)C(=O)O[C@@H]1C/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000153510417 EG Annotated Reactive O=C1NC(=O)[C@@H]2c3c[nH]c4cccc(c34)-c3[nH]c4ccccc4c3[C@@H]12 ZINC000154327341 EG Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccc(OC(F)F)cc4)nc3cc2N1 ZINC000154790374 EG Annotated Anodyne CCCCc1c(C)nc2nc(NCc3ccc(OC)cc3)nn2c1O ZINC000015668899 EG Annotated Anodyne CCCCc1c(C)nc2nc(NCc3ccc(F)cc3)nn2c1O ZINC000015668905 EG Annotated Anodyne CCCCc1c(C)nc2nc(NCc3ccccc3C)nn2c1O ZINC000015668915 EG Annotated Anodyne CCCCc1c(C)nc2nc(NCc3ccccc3F)nn2c1O ZINC000015668918 EG Annotated Anodyne CCc1c(C)nc2nc(NCc3c(F)cccc3Cl)nn2c1O ZINC000015668926 EG Annotated Anodyne CCCCc1c(C)nc2nc(NCc3cccc(C)c3)nn2c1O ZINC000015668929 EG Annotated Anodyne Oc1c2c(nc3nc(NCc4c(F)cccc4Cl)nn13)CCCC2 ZINC000015668947 EG Annotated Anodyne CCCc1cc(O)n2nc(NCc3ccc(SC)cc3)nc2n1 ZINC000015668968 EG Annotated Anodyne CCCc1cc(O)n2nc(NCc3ccc(OC(C)C)cc3)nc2n1 ZINC000015668985 EG Annotated Anodyne CSc1ccc(CNc2nc3nc(C)c(Cl)c(O)n3n2)cc1 ZINC000015669008 EG Annotated Anodyne Cc1nc2nc(NCc3ccc(OC(C)C)cc3)nn2c(O)c1Cl ZINC000015669022 EG Annotated Anodyne CCc1c(C)nc2nc(NCc3ccc(OC(C)C)cc3)nn2c1O ZINC000015669029 EG Annotated Anodyne CSc1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1 ZINC000015669042 EG Annotated Anodyne CC(C)CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000015779225 EG Annotated Anodyne Cc1sc(-n2cccc2CNC[C@@H]2CCCO2)c(C(=O)O)c1C ZINC000015782961 EG Annotated Anodyne Cc1sc(-n2cccc2CNC[C@H]2CCCO2)c(C(=O)O)c1C ZINC000015782963 EG Annotated Anodyne O=C(c1cc(-c2ccncc2)[nH]n1)N1CC=C(c2ccccc2)CC1 ZINC000015785463 EG Annotated Anodyne CC(NNC(=O)c1ccc(OC2CCCC2)cc1)=C1C=CC(=O)C=C1 ZINC000015885209 EG Annotated Reactive O=C(/N=C1\c2ccccc2CN1c1ncccn1)Nc1ccccc1 ZINC000015912968 EG Annotated Mild C/C(NNS(=O)(=O)c1ccc(C)cc1C)=C1/C=Nc2ccccc21 ZINC000015933966 EG Annotated Anodyne C/C(NNS(=O)(=O)c1ccc(C)c(C)c1)=C1/C=Nc2ccccc21 ZINC000015934486 EG Annotated Anodyne C/C(NNS(=O)(=O)c1cc(C)ccc1C)=C1/C=Nc2ccccc21 ZINC000015934511 EG Annotated Anodyne Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c(=O)[nH]1 ZINC000015934832 EG Annotated Anodyne Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c(=O)[nH]1 ZINC000015934833 EG Annotated Anodyne CCCC[C@H]1COCCS(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000015935037 EG Annotated Anodyne CCCCNC(=O)O[C@H]1C[C@@H]2CCN3C(=O)CCC[C@@H]([C@H]23)[C@H]1CC ZINC000015935331 EG Annotated Anodyne COc1ccc(-c2nnc(N(C)C(=O)c3ccco3)s2)cc1OC ZINC000015935716 EG Annotated Anodyne O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1ccccc1 ZINC000015937278 EG Annotated Anodyne CCCCNC(=O)O[C@H]1C[C@@H]2CCN3C(=O)CCC(C)(C)[C@H](C1)[C@H]23 ZINC000015937339 EG Annotated Anodyne CCCCNC(=O)O[C@@H]1C[C@@H]2CCN3C(=O)CCC[C@@H]([C@H]23)[C@H]1CC ZINC000015937361 EG Annotated Anodyne CCN1C(NCC(C)C)=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C ZINC000015937411 EG Annotated Anodyne CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(F)cc3)[nH]c2c1 ZINC000015952290 EG Annotated Anodyne CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccsc3)[nH]c2c1 ZINC000015952292 EG Annotated Anodyne CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(C)cc3)[nH]c2c1 ZINC000015952298 EG Annotated Anodyne O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952419 EG Annotated Clean O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952420 EG Annotated Clean O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000015952421 EG Annotated Clean O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 ZINC000015952422 EG Annotated Clean O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000015952439 EG Annotated Clean O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 ZINC000015952440 EG Annotated Clean O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000015952441 EG Annotated Clean O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 ZINC000015952442 EG Annotated Clean COC1=C/C(=C/NNc2ccc(C)cc2)C=C(Br)C1=O ZINC000015953027 EG Annotated Mild O=C(NN/C=C1/C=CC=N1)c1ccccc1OCc1ccc(F)cc1 ZINC000015953086 EG Annotated Reactive CN(CCc1nc2cc(Cl)ccc2[nH]1)Cc1nc(CC2CC2)no1 ZINC000015961744 EG Annotated Anodyne CCn1ccnc1CN(C)Cc1cn[nH]c1-c1ccc(OC)c(F)c1 ZINC000015961748 EG Annotated Anodyne CNC(=S)N/N=C\c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000015974173 EG Annotated Mild O=C(NN/C=C1/C=NN=C1c1ccc(Cl)cc1)c1cccs1 ZINC000015974587 EG Annotated Reactive CC[C@@H](C)[C@@H](N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 ZINC000015974832 EG Annotated Anodyne CC[C@H](C)[C@@H](N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 ZINC000015974833 EG Annotated Anodyne COc1ccccc1/C=C/C=N\n1c(S)nnc1-c1ccccn1 ZINC000015985552 EG Annotated Mild Sc1nnc(COc2ccccc2)n1/N=C\C=C\c1ccco1 ZINC000015986314 EG Annotated Mild COc1ccccc1/C=C/C=N\n1c(S)nnc1-c1ccncc1 ZINC000015986327 EG Annotated Mild Cc1cc(C)n(C(=O)/C(C#N)=N\Nc2cc(Cl)cc(Cl)c2)n1 ZINC000015986822 EG Annotated Mild N#CCC(=O)N/N=C\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000015989501 EG Annotated Reactive O=C(COc1ccc(Cl)cc1)N/N=C\c1cccc2cccnc12 ZINC000015997736 EG Annotated Reactive C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12 ZINC000155804094 EG Annotated Anodyne biogenic C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12 ZINC000155804196 EG Annotated Anodyne biogenic C=C[C@@](C)(O)CC(=O)/C=C(\C)CC/C=C(\C)[C@@H](O)C(=O)C=C(C)C ZINC000156116158 EG Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c(n(OC)c4ccccc34)[C@@H]3C[C@@H]1[C@@H]2CO3 ZINC000156245845 EG Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)[C@H](C)CC)[C@@]1(C)O[C@H]21 ZINC000156769661 EG Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)CC(C)C)[C@@]1(C)O[C@@H]21 ZINC000156769944 EG Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C=C[C@H]3[C@]4(C)CCC[C@@]3(C2)OC4)C1=O ZINC000156799572 EG Annotated Mild C/C=C1/C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO ZINC000157514688 EG Annotated Bother CC(=O)OC[C@@]12CO[C@H](CN3CCCCC3)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000016035809 EG Annotated Anodyne CN1C/C(=C/c2ccc(C#N)cc2)C(=O)/C(=C/c2ccc(C#N)cc2)C1 ZINC000016405888 EG Annotated Mild O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@H]1N(C[C@@H]1CCCO1)CC3 ZINC000164406835 EG Annotated Anodyne CCS(=O)(=O)c1ccc(C=NNc2nc3ccccc3o2)cc1 ZINC000016892175 EG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@]2(C=O)CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000016952884 EG Annotated Mild CC(=O)NC1(NC(C)=O)[C@H]2C[C@@H]([C@@H]1Cc1ccccc1)C(C)(C)[C@H]2C ZINC000016958290 EG Annotated Anodyne Nc1nc(-c2nccs2)nc(-c2nccs2)c1Br ZINC000165087276 EG Annotated Anodyne C[C@H](O)CC1=C(O)C2=C[C@H]3OC[C@@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@@H]34 ZINC000165251196 EG Annotated Mild C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C ZINC000165691147 EG Annotated Anodyne CC(C)[C@H]1/C=C/[C@@](C)(O)CC(=O)C[C@@]2(C)CC[C@H](O2)[C@](C)(O)CC1 ZINC000165840349 EG Annotated Anodyne Clc1ccc(-c2[nH]c3ccccc3c2/C=N/NC2=NCCN2)cc1 ZINC000165949409 EG Annotated Mild CC(C)=CCOc1cc(O)c2c3c(c(O)cc(C)c13)C(=O)OC2=O ZINC000166065269 EG Annotated Reactive CC(C)=CCC[C@@H](C)[C@H]1[C@@H]2COC(=O)/C2=C/C[C@H]2O[C@]2(C)C[C@H]1O ZINC000166345996 EG Annotated Anodyne C[C@@H]1CN(c2nccnn2)CC[C@@H]1Oc1cc(Cl)ccc1Cl ZINC000166377935 EG Annotated Anodyne C[C@H]1CN(c2nccnn2)CC[C@@H]1Oc1cc(Cl)ccc1Cl ZINC000166378039 EG Annotated Anodyne O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1 ZINC000166616349 EG Annotated Anodyne O=C(NO)c1cnc(NC2(c3cc(Cl)cc(Cl)c3)CC2)nc1 ZINC000166658253 EG Annotated Anodyne C=C1C[C@H](O)/C=C(\C)CC[C@@H]2[C@@H](/C=C/CC(C)(C)O)C(=O)OC[C@@H]12 ZINC000166667555 EG Annotated Mild C[C@@H]1CC[C@]2(O)[C@H](CC[C@@H](O)C2(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000166956598 EG Annotated Anodyne O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000168392020 EG Annotated Anodyne O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000168392120 EG Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(/C)CC[C@@H]2O ZINC000169290467 EG Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@@H]2O ZINC000169290468 EG Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(\C)CC[C@@H]2O ZINC000169290469 EG Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O ZINC000169291719 EG Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(\C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O ZINC000169291720 EG Annotated Mild C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@](O)(C/C(C)=C\[C@@H](O)C1)OC3=O ZINC000169292579 EG Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(CC[C@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3 ZINC000169292651 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C[C@H]12 ZINC000169292845 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)C[C@H]12 ZINC000169292846 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C[C@H]12 ZINC000169292847 EG Annotated Mild C/C1=C/C=C(\[C@@](C)(O)CO)C[C@@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169292896 EG Annotated Anodyne C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(\[C@@](C)(O)CO)C[C@H]1O ZINC000169292897 EG Annotated Anodyne C/C1=C/C=C(/[C@@](C)(O)CO)C[C@@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169292898 EG Annotated Anodyne C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)C[C@H]1O ZINC000169292899 EG Annotated Anodyne COC1=C[C@@H]2C=Cc3c(CCN(C)O)cc4c(c3[C@@H]2C=C1)OCO4 ZINC000169292975 EG Annotated Anodyne COC1=C[C@H]2C=Cc3c(CCN(C)O)cc4c(c3[C@@H]2C=C1)OCO4 ZINC000169292976 EG Annotated Anodyne C=C1C[C@@H](O)/C=C(/C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 ZINC000169293309 EG Annotated Mild CC(=O)O[C@H]1C(=O)CC(C)(C)[C@@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C ZINC000169293536 EG Annotated Anodyne CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C ZINC000169293537 EG Annotated Anodyne CC(=O)O[C@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C ZINC000169293538 EG Annotated Anodyne O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169293540 EG Annotated Clean COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccccc2F)cc1 ZINC000169293545 EG Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2 ZINC000169295054 EG Annotated Clean NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H]([C@@H]1CC=CCC1)N2 ZINC000169295055 EG Annotated Clean CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C(C)(C)O)C=C/C=C/3CO ZINC000169296046 EG Annotated Anodyne CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C(C)(C)O)/C=C/C=C3CO ZINC000169296047 EG Annotated Anodyne CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C(C)(C)O)/C=C/C=C/3CO ZINC000169296048 EG Annotated Anodyne C[C@H]1CN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@H](C)O1 ZINC000169296159 EG Annotated Anodyne O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169296831 EG Annotated Clean O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 ZINC000169296832 EG Annotated Clean COc1ccc(C(=O)N2C[C@]3(C)[C@@H]4CC[C@@]3(C)[C@@]2(C#N)C4)cc1OC ZINC000169296857 EG Annotated Mild COc1ccc(C(=O)N2C[C@]3(C)[C@H]4CC[C@@]3(C)[C@@]2(C#N)C4)cc1OC ZINC000169296859 EG Annotated Mild COc1cccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(F)cc2)c1 ZINC000169297963 EG Annotated Anodyne C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C\CC(=O)OC ZINC000169299150 EG Annotated Mild CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@H]4C[C@@]1(ON4)O2)[C@@H](C)C3=O ZINC000169299670 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12 ZINC000169299951 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12 ZINC000169299952 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12 ZINC000169299953 EG Annotated Mild C[C@H]1CC[C@]23COC(=O)[C@@H]2[C@H](O)CC[C@@H]3[C@]1(C)C[C@@H](O)c1ccoc1 ZINC000169300242 EG Annotated Anodyne N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3 ZINC000169300649 EG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000169300751 EG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000169300753 EG Annotated Mild CN1CCCN(C2=C3C(=N[C@@H]4C=CC=C[C@H]34)N(C)c3ccccc32)CC1 ZINC000169301253 EG Annotated Anodyne CN1CCCN(C2=C3C(=N[C@H]4C=CC=C[C@H]34)N(C)c3ccccc32)CC1 ZINC000169301254 EG Annotated Anodyne CN1CCCN(C2=C3C(=N[C@@H]4C=CC=C[C@@H]34)N(C)c3ccccc32)CC1 ZINC000169301256 EG Annotated Anodyne CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@@H]4[C@@H](C(=O)O)C1)[C@@H]32 ZINC000169303017 EG Annotated Anodyne CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4[C@@H](C(=O)O)C1)[C@@H]32 ZINC000169303020 EG Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CC(C)C ZINC000169303133 EG Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1CC(C)C ZINC000169303134 EG Annotated Anodyne C=C1Nc2cc(-c3ccc(Cl)cc3)nn2C(NCCN(C)C)=C1C ZINC000169303623 EG Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1 ZINC000169303820 EG Annotated Mild CC(=O)[C@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1 ZINC000169303821 EG Annotated Mild CC(=O)[C@@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1 ZINC000169303822 EG Annotated Mild CC(=O)[C@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1 ZINC000169303823 EG Annotated Mild COc1ccc2c(c1OC)C=N[C@H]1[C@H]3C[C@H]4OCO[C@H]4C[C@H]3CC[C@H]21 ZINC000169303875 EG Annotated Anodyne C=CCNc1ccc(N2C(=O)[C@H]3CC[C@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000169304304 EG Annotated Mild C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C ZINC000169304625 EG Annotated Mild C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@@]12NNC(=S)N2 ZINC000169305210 EG Annotated Anodyne CC1(C)[C@H]2C[C@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)/C(=N/O)C[C@H]21 ZINC000169305870 EG Annotated Mild CN1CCO[C@@](O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1 ZINC000169307094 EG Annotated Clean CN1CCO[C@](O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1 ZINC000169307097 EG Annotated Clean COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3OCC2)OCO4 ZINC000169307294 EG Annotated Anodyne COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3OCC2)OCO4 ZINC000169307295 EG Annotated Anodyne COC(=O)/C(=C/c1ccc(OC)cc1)CSc1nc(C)cc(C)n1 ZINC000169308065 EG Annotated Anodyne CCCCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(N)=O ZINC000169308241 EG Annotated Mild CCCCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(=O)NO ZINC000169308245 EG Annotated Mild C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3ccnc3C)[C@@H]2CC1 ZINC000169308962 EG Annotated Anodyne CCc1nc(C)cn1C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C=C/CC[C@@]1(C)O[C@H]21 ZINC000169308965 EG Annotated Anodyne CC(C)[C@H]1CC(=O)C2=CC3=C(CO)C(=O)C(O)=C[C@@]3(C)CC[C@@]21C ZINC000169309055 EG Annotated Mild CCCCCCCCCCC/C(O)=C1/C(=O)N[C@@H](CCO)C1=O ZINC000169309533 EG Annotated Mild N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)c(F)c3)o2)cc1F ZINC000169310164 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)C1=CC(=O)[C@](C)(O)[C@]2(O)CCc1ccoc1 ZINC000169310303 EG Annotated Mild O=C1CNC(=O)/C1=C(\NCc1ccccc1)c1cccc2ccccc12 ZINC000169310884 EG Annotated Mild c1ccc(OCCO/N=C2\c3ccccc3OC[C@H]2n2ccnc2)cc1 ZINC000169311207 EG Annotated Mild c1ccc(OCCO/N=C2\c3ccccc3OC[C@@H]2n2ccnc2)cc1 ZINC000169311208 EG Annotated Mild O=C(c1ccccc1)c1ccn(-c2ccc(/C=N/O)c([N+](=O)[O-])c2)c1 ZINC000169311962 EG Annotated Mild O=C(c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])c(/C=N/O)c2)c1 ZINC000169311963 EG Annotated Mild NC[C@H]1CN(c2ccc(F)cc2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312400 EG Annotated Anodyne COc1ccc(N2C[C@H](CN)[C@@H](c3cc(F)ccc3F)CC2=O)cc1 ZINC000169312404 EG Annotated Anodyne NC[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312410 EG Annotated Anodyne NC[C@H]1CN(CCc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312415 EG Annotated Anodyne C=C1CC/C=C(/C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@@H]1O2 ZINC000169312946 EG Annotated Mild CCC(=O)N[C@H](C1=C(O)[C@@H]2NCCC[C@@H]2C(Cl)=C1)c1ccco1 ZINC000169313009 EG Annotated Anodyne CCC(=O)N[C@@H](C1=C(O)[C@@H]2NCCC[C@@H]2C(Cl)=C1)c1ccco1 ZINC000169313010 EG Annotated Anodyne CCC(=O)N[C@H](C1=C(O)[C@H]2NCCC[C@@H]2C(Cl)=C1)c1ccco1 ZINC000169313012 EG Annotated Anodyne CCC(=O)N[C@@H](C1=C(O)[C@H]2NCCC[C@@H]2C(Cl)=C1)c1ccco1 ZINC000169313013 EG Annotated Anodyne N=c1c2cc(-c3ccccc3)n(-c3ccccc3)c2[nH]c(=S)n1N ZINC000169313060 EG Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)Nc1cnc2ccccn2c1=O ZINC000169313100 EG Annotated Anodyne C=C1CC/C=C(/C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@H]1O2 ZINC000169313110 EG Annotated Mild O=C(O)c1cc(=O)c2cc(Cl)cc(C(=O)c3ccccc3)c2[nH]1 ZINC000169314518 EG Annotated Anodyne COC(=O)c1cc(=O)c2cc(Cl)cc(C(=O)c3ccccc3)c2[nH]1 ZINC000169314544 EG Annotated Anodyne COC(=O)N1CC[C@@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@@H]21 ZINC000169314745 EG Annotated Mild COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@@H]21 ZINC000169314747 EG Annotated Mild C/C(=N/NC(=S)N1CC=C(c2ccccc2)CC1)c1ccccn1 ZINC000169314811 EG Annotated Mild CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3c(O)c2-c2ccccc21 ZINC000169316390 EG Annotated Anodyne CN1CC[C@]23C[C@@H](CBr)O[C@]2(C)[C@H]1Cc1ccccc13 ZINC000169316858 EG Annotated Reactive CN1CC[C@]23C[C@H](CBr)O[C@]2(C)[C@H]1Cc1ccccc13 ZINC000169316859 EG Annotated Reactive CN(C)/N=N\c1ccnc2cc(I)ccc12 ZINC000169317466 EG Annotated Clean c1cc2sc(-c3ccc(C4=NCCN4)cc3)cc2cc1C1=NCNC1 ZINC000169318155 EG Annotated Anodyne CC(C)=CCC(=O)[C@@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 ZINC000169318393 EG Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 ZINC000169318395 EG Annotated Anodyne CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1 ZINC000169318396 EG Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1 ZINC000169318399 EG Annotated Anodyne Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(F)cc4)c3=O)nc2c1 ZINC000169320283 EG Annotated Anodyne C1C2CC3CC1CC(C2)C31OOC2(CCC(NC3CC3)CC2)OO1 ZINC000169321475 EG Annotated Reactive O=S(=O)(c1ccccc1)n1c(CCCCl)cc2cccnc21 ZINC000169321965 EG Annotated Reactive N#CCCCc1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000169321967 EG Annotated Mild CC(C)[S@@](=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169322565 EG Annotated Bother CC(C)[S@](=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169322567 EG Annotated Bother CN(C)[C@@H](c1cccc(OCc2ccccc2)c1)C1COCOC1 ZINC000169322981 EG Annotated Anodyne CN(C)[C@H](c1cccc(OCc2ccccc2)c1)C1COCOC1 ZINC000169322983 EG Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C#N)[C@@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000169324233 EG Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000169324236 EG Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C#N)[C@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000169324239 EG Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C#N)[C@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000169324241 EG Annotated Mild CN(C)CCCN1C(=O)/C(=C/c2cccs2)Oc2ccccc21 ZINC000169324448 EG Annotated Anodyne CNC(=O)C1CCN(CC2=Cc3c(Cl)ccc(OC)c3CC2)CC1 ZINC000169324732 EG Annotated Anodyne Cc1ccccc1-c1ccc(N2CCOc3ncnc(N)c3C2=O)cc1 ZINC000169324838 EG Annotated Anodyne CN/C(C)=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C)NC)cc1C2=O ZINC000169324863 EG Annotated Mild CCc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1 ZINC000169325260 EG Annotated Anodyne Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1cccc(C(F)(F)F)c1 ZINC000169325510 EG Annotated Clean Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(Cl)cc1Cl ZINC000169325516 EG Annotated Clean O=C(/C=C/c1cc2c(cc1Cl)OCO2)NC1=C(C(=O)O)CCCC1 ZINC000169325593 EG Annotated Anodyne Cc1c(-c2cc(O)n(-c3ccccc3)c2O)[nH]n(-c2ccccc2)c1=O ZINC000169325756 EG Annotated Anodyne Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccccc1C(F)(F)F ZINC000169325775 EG Annotated Clean CN(C)CCN1N=C(c2ccccc2)CC2=C1CC(C)(C)CC2=O ZINC000169325855 EG Annotated Mild Cc1nn(C)c2nc3c(Cl)cccc3c(NCCCN(C)C)c12 ZINC000169325927 EG Annotated Anodyne O=C(SCc1ccco1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000169326183 EG Annotated Bother CC1(C)CN(O)C(=O)c2ncc3c(ccn3Cc3ccc(F)cc3)c21 ZINC000169326999 EG Annotated Clean Cc1cc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2cc1C ZINC000169327305 EG Annotated Anodyne CO[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169327524 EG Annotated Anodyne CO[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169327525 EG Annotated Anodyne CO[C@@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169327526 EG Annotated Anodyne CO[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169327527 EG Annotated Anodyne CN1C/C(=C\c2ccccc2)C2=NN(CCO)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000169328026 EG Annotated Anodyne CCN(C(=O)c1ccc2c(c1)c1c(c(=O)n2C)CCCCC1)C1CC1 ZINC000169328910 EG Annotated Anodyne CCN(CC)CCN1N=C(c2ccccc2)CC2=C1CCCC2=O ZINC000169329073 EG Annotated Mild Cc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1C ZINC000169329116 EG Annotated Anodyne Cn1cc2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2n1 ZINC000169329465 EG Annotated Bother O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@@H]2O[C@@H]12 ZINC000169329582 EG Annotated Clean O=C1c2c(OCc3ccc(C(F)(F)F)cc3)cccc2C(=O)[C@@H]2O[C@H]12 ZINC000169329583 EG Annotated Clean O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@@H]2O[C@H]12 ZINC000169329587 EG Annotated Clean O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@H]2O[C@H]12 ZINC000169329589 EG Annotated Clean CCNc1ccc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c1 ZINC000169329676 EG Annotated Anodyne COc1ccc(Cc2c(C)[nH]n(-c3nc4cc(C)ccc4[nH]3)c2=O)cc1 ZINC000169330592 EG Annotated Anodyne O=C(NCC(c1ccccc1)c1ccccc1)c1cccc(CO)c1O ZINC000169330885 EG Annotated Anodyne O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(CO)cc1O ZINC000169330886 EG Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3CC(=O)OC1(C)C ZINC000169330931 EG Annotated Anodyne Cc1nn(C)c2nc3c(ccc4ncccc43)c(NCCCN(C)C)c12 ZINC000169331230 EG Annotated Bother F[C@H]1CCN[C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169331283 EG Annotated Anodyne F[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169331284 EG Annotated Anodyne Cc1cc(C)c2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c1 ZINC000169331702 EG Annotated Anodyne CN(C)CCN1N=C(c2ccc(F)cc2)CC2=C1CC(C)(C)CC2=O ZINC000169331925 EG Annotated Mild CCc1ccc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c1 ZINC000169331947 EG Annotated Anodyne COc1cc2c(cc1Br)C(c1ccccc1)=NCC(=O)N2 ZINC000169332877 EG Annotated Anodyne CN1N=C2/C(=C/c3ccccc3)CN(C(N)=O)C[C@@H]2[C@@H]1c1ccccc1 ZINC000169333240 EG Annotated Anodyne CN1N=C2/C(=C/c3ccccc3)CN(C(N)=O)C[C@H]2[C@@H]1c1ccccc1 ZINC000169333243 EG Annotated Anodyne COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1CC(C)C)[C@@H]23 ZINC000169333570 EG Annotated Anodyne OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccco1)[C@@H]23 ZINC000169333639 EG Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C ZINC000169334785 EG Annotated Mild C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C ZINC000169334787 EG Annotated Mild C=CC[C@]12C=C(OC)C(=O)[C@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C ZINC000169334789 EG Annotated Mild CC(C)c1nn(C)c2c1C(c1ccccc1Cl)=NCC(=O)N2C ZINC000169335520 EG Annotated Anodyne CCCCc1nn(C)c2c1C(c1ccccc1Cl)=NCC(=O)N2 ZINC000169335523 EG Annotated Anodyne CCCCc1nn(C)c2c1C(c1ccccc1Cl)=NCC(=O)N2C ZINC000169335525 EG Annotated Anodyne C=CCN1C(=O)CN=C(c2ccccc2Cl)c2c(C)nn(CC)c21 ZINC000169335545 EG Annotated Mild CCCn1nc(C)c2c1N(C)C(=O)CN=C2c1ccccc1Cl ZINC000169335549 EG Annotated Anodyne CCCCn1nc(C)c2c1N(C)C(=O)CN=C2c1ccccc1Cl ZINC000169335554 EG Annotated Anodyne CCCCn1nc(C)c2c1NC(=O)CN=C2c1cccc(Cl)c1 ZINC000169335555 EG Annotated Anodyne Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccccc3)cc12 ZINC000169336032 EG Annotated Anodyne O=c1oc2cccc(OCCCc3ccccc3)c2c(O)c1[N+](=O)[O-] ZINC000169337544 EG Annotated Bother COC(=O)C1=C2CCCO[C@@H]2[C@@H]2[C@@H]1c1ccccc1[C@@H](OC)[C@@H]2C ZINC000169337740 EG Annotated Anodyne COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@@H]1c1ccccc1[C@@H](OC)[C@@H]2C ZINC000169337742 EG Annotated Anodyne COC(=O)C1=C2CCCO[C@@H]2[C@H]2[C@@H]1c1ccccc1[C@@H](OC)[C@@H]2C ZINC000169337744 EG Annotated Anodyne O=C1CS/C(=N\N=C\c2ccc([N+](=O)[O-])s2)N1c1ccccc1 ZINC000169338284 EG Annotated Mild CN[C@@H]1CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O[C@@H]1OC ZINC000169339128 EG Annotated Anodyne CN[C@@H]1CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O[C@@H]1OC ZINC000169339132 EG Annotated Anodyne [O-]/[N+](=C\c1cn(-c2ccc(C(F)(F)F)cc2)nn1)Cc1ccccc1 ZINC000169339640 EG Annotated Mild N#Cc1c(N2CCOCC2)c2ccccc2n2c1nc1ccccc12 ZINC000169339761 EG Annotated Mild CC1=C2[C@@H](O)[C@@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O ZINC000169339825 EG Annotated Mild CC1=C2[C@H](O)[C@@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O ZINC000169339828 EG Annotated Mild CC1=C2[C@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O ZINC000169339830 EG Annotated Mild O=C(NC1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccco1 ZINC000169339947 EG Annotated Mild NC1=C(c2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc2C1=O ZINC000169340149 EG Annotated Mild CC(=O)C(=Cc1ccc(O[C@@H](C)C(=O)O)c(Cl)c1Cl)C(C)=O ZINC000169340590 EG Annotated Mild CC(=O)C(=Cc1ccc(O[C@H](C)C(=O)O)c(Cl)c1Cl)C(C)=O ZINC000169340591 EG Annotated Mild CC(=O)C(=Cc1cc(Cl)cc(Cl)c1OCC(=O)O)C(C)=O ZINC000169340603 EG Annotated Mild CS(=O)(=O)N(Cc1nc2ccccc2[nH]1)c1ccccc1Cl ZINC000169340627 EG Annotated Anodyne CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]32[C@H]1O4 ZINC000169340675 EG Annotated Reactive CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]32[C@H]1O4 ZINC000169340677 EG Annotated Reactive O=C(NCc1ccccn1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 ZINC000169341349 EG Annotated Anodyne O=c1oc2cc(Cl)ccc2n1CN1CCCC2(CCOCC2)C1 ZINC000169341737 EG Annotated Anodyne O=c1oc2ccc(Cl)cc2n1CN1CCCC2(CCOCC2)C1 ZINC000169341738 EG Annotated Anodyne O=c1oc2cc(Cl)ccc2n1CN(Cc1ccccn1)C1CC1 ZINC000169341751 EG Annotated Anodyne CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1ccncc1 ZINC000169342914 EG Annotated Mild CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1cccnc1 ZINC000169342921 EG Annotated Mild CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1ccccn1 ZINC000169342924 EG Annotated Mild CCCc1cc(=O)oc2c(C(=O)O)c(O)c3c(c12)OC(C)(C)C=C3 ZINC000169342932 EG Annotated Anodyne CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C\[C@](C)(O)CC/C=C(\CC1)C(=O)O2 ZINC000169343000 EG Annotated Anodyne CC(C)[C@@]12/C=C/[C@@](C)(O)C/C=C\[C@](C)(O)CC/C=C(\CC1)C(=O)O2 ZINC000169343002 EG Annotated Anodyne CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C/[C@](C)(O)CC/C=C(\CC1)C(=O)O2 ZINC000169343004 EG Annotated Anodyne C=CCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 ZINC000169343310 EG Annotated Mild C[C@@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12 ZINC000169344469 EG Annotated Anodyne C[C@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12 ZINC000169344470 EG Annotated Anodyne C[C@H]1CO[C@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12 ZINC000169344472 EG Annotated Anodyne NCCN[C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000169344998 EG Annotated Anodyne CCOC[C@@H]1COc2cc3c(=S)c(C(=O)OCC)c[nH]c3cc2O1 ZINC000169345488 EG Annotated Anodyne CCOC[C@H]1COc2cc3c(=S)c(C(=O)OCC)c[nH]c3cc2O1 ZINC000169345489 EG Annotated Anodyne Nc1nnc2c3ccccc3nc(-c3ccccc3Br)n12 ZINC000169346619 EG Annotated Anodyne O=C1O[C@@H](c2ccccc2F)CN1c1ccc2c(c1)CCNCC2 ZINC000169347311 EG Annotated Anodyne O=C1O[C@H](c2ccccc2F)CN1c1ccc2c(c1)CCNCC2 ZINC000169347312 EG Annotated Anodyne COc1ccccc1[C@@H]1CN(c2ccc3c(c2)CCNCC3)C(=O)O1 ZINC000169347315 EG Annotated Anodyne COc1ccccc1[C@H]1CN(c2ccc3c(c2)CCNCC3)C(=O)O1 ZINC000169347316 EG Annotated Anodyne CC(C)N1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C ZINC000169347689 EG Annotated Reactive CCCN1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C ZINC000169347703 EG Annotated Reactive CCCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1 ZINC000169348083 EG Annotated Bother CCCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])o3)O2)cc1 ZINC000169348084 EG Annotated Bother N/C(=N/O)c1ccc2c(c1)nc(C(Cl)(Cl)Cl)c1cccn12 ZINC000169348651 EG Annotated Mild COc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(C)c1 ZINC000169348924 EG Annotated Anodyne COc1ccc(-c2ccc(COc3ncccc3C(N)=O)cc2)c(C)n1 ZINC000169348947 EG Annotated Anodyne CC(C)c1cccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000169349250 EG Annotated Bother C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)CC)=C\C[C@H]12 ZINC000169349484 EG Annotated Mild Cc1c2cc[n+](CCOCCN)cc2c(C)c2c1[nH]c1ccccc12 ZINC000169349742 EG Annotated Bother COC(=O)c1c2cc[n+](CCCN)cc2c(C)c2c1[nH]c1ccccc12 ZINC000169350007 EG Annotated Bother COc1ccc(-n2cnc(C#N)c2/N=C/c2ccc(O)c(OC)c2)cc1 ZINC000169350314 EG Annotated Mild N#Cc1ccc(Nc2nccc([C@@H](NO)c3ccc(C#N)cc3)n2)cc1 ZINC000169350556 EG Annotated Mild N#Cc1ccc(Nc2nccc([C@H](NO)c3ccc(C#N)cc3)n2)cc1 ZINC000169350557 EG Annotated Mild O=c1nc(Nc2ccc(-c3ccccc3)cc2)c2cccnc2n1O ZINC000169350741 EG Annotated Anodyne O=c1nc(NCc2ccc(-c3ccccc3)cc2)c2cccnc2n1O ZINC000169350742 EG Annotated Anodyne Nc1nnc(C2CC2)n1C[C@@H](O)c1ccc(C(F)(F)F)cc1Cl ZINC000169351146 EG Annotated Anodyne Nc1nnc(C2CC2)n1C[C@H](O)c1ccc(C(F)(F)F)cc1Cl ZINC000169351148 EG Annotated Anodyne NC1=Nc2ccccc2CN1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000169351152 EG Annotated Anodyne NC1=Nc2ccccc2CN1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000169351153 EG Annotated Anodyne CNC(=O)c1ccc(-c2ccc(CC(=O)NCc3ccco3)cc2)cc1 ZINC000169351990 EG Annotated Anodyne O=c1c2c(-c3ccccc3)cc(-c3cccs3)nc2nc2[nH]ncn12 ZINC000169352767 EG Annotated Anodyne CCCCCCc1cn(C[C@H]2O[C@H](OCCC(C)C)C=CC2=O)nn1 ZINC000169353700 EG Annotated Mild COc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1 ZINC000169353891 EG Annotated Mild C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C\[C@@H](O)C1)OC3=O ZINC000169354348 EG Annotated Mild C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(O)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000169354646 EG Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(O)CC3)[C@@H]2CC/C(C)=C\CC1 ZINC000169354647 EG Annotated Anodyne C=C1C(=O)[C@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@]1(O)C3 ZINC000169354722 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@]1(O)C3 ZINC000169354723 EG Annotated Mild COC[C@@H](O)[C@@H]1OCc2cc(OC)ccc2[C@@H]1/C=C\c1ccccc1 ZINC000169354899 EG Annotated Anodyne COC[C@@H](O)[C@@H]1OCc2cc(OC)ccc2[C@@H]1/C=C/c1ccccc1 ZINC000169354900 EG Annotated Anodyne COC[C@H](O)[C@@H]1OCc2cc(OC)ccc2[C@@H]1/C=C\c1ccccc1 ZINC000169354901 EG Annotated Anodyne COC[C@H](O)[C@@H]1OCc2cc(OC)ccc2[C@@H]1/C=C/c1ccccc1 ZINC000169354902 EG Annotated Anodyne CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@@H]1C ZINC000169355123 EG Annotated Anodyne CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@@H]1C ZINC000169355124 EG Annotated Anodyne COC(=O)[C@@]1(C)[C@@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000169355895 EG Annotated Anodyne COC(=O)[C@]1(C)[C@@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000169355896 EG Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000169355897 EG Annotated Anodyne COC(=O)[C@]1(C)[C@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000169355898 EG Annotated Anodyne C/C1=C/C=C(\[C@@](C)(O)CO)C[C@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169361129 EG Annotated Anodyne C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(\[C@@](C)(O)CO)C[C@@H]1O ZINC000169361131 EG Annotated Anodyne C/C1=C/C=C(/[C@@](C)(O)CO)C[C@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169361133 EG Annotated Anodyne C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)C[C@@H]1O ZINC000169361135 EG Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(CO)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000169361472 EG Annotated Anodyne C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC(CO)CC3)[C@@H]2CC1 ZINC000169361473 EG Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(CO)CC3)[C@@H]2CC/C(C)=C\CC1 ZINC000169361474 EG Annotated Anodyne CC(C)[C@H]1/C=C\[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)Cc2cc(co2)CC1 ZINC000169362536 EG Annotated Anodyne C[C@]12CN(NC(=O)c3ccc(Cl)cc3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C ZINC000169365092 EG Annotated Mild C/C1=C/C=C(\[C@@](C)(O)CO)CC(=O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169369413 EG Annotated Mild C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(\[C@@](C)(O)CO)CC1=O ZINC000169369414 EG Annotated Mild C/C1=C/C=C(/[C@@](C)(O)CO)CC(=O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169369415 EG Annotated Mild C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)CC1=O ZINC000169369416 EG Annotated Mild C/C1=C/C=C(\[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169369417 EG Annotated Reactive C/C1=C\C=C(/[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169369418 EG Annotated Reactive C/C1=C/C=C(/[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000169369419 EG Annotated Reactive C=C1CC(=O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 ZINC000169370205 EG Annotated Mild C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(/C)CCC1=O ZINC000169370545 EG Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(\C)[C@H]2O ZINC000169370693 EG Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(\C)[C@H]2O ZINC000169370694 EG Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(/C)CC/C=C(\C)[C@H]2O ZINC000169370695 EG Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169371123 EG Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 ZINC000169371124 EG Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 ZINC000169371125 EG Annotated Reactive CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]23[C@H]1O4 ZINC000169371527 EG Annotated Reactive CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]23[C@H]1O4 ZINC000169371528 EG Annotated Reactive C[C@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@H](C)O1 ZINC000169373095 EG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O ZINC000169373429 EG Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O ZINC000169373430 EG Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O ZINC000169373431 EG Annotated Mild CCOC(=O)c1c(N)sc(/N=C/c2ccco2)c1C(=O)OCC ZINC000169396260 EG Annotated Mild CN1CC[C@@]2([C@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000169399929 EG Annotated Anodyne in-man CC(=O)[C@@H]1[C@H]2CC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 ZINC000169422544 EG Annotated Anodyne CC(=O)[C@H]1[C@H]2CC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 ZINC000169422554 EG Annotated Anodyne C=C[C@H](CO)[C@H]1CC[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C1 ZINC000169435840 EG Annotated Mild C=C1C2=C(CC[C@@]13CC=CC1=C3COC1=O)C(=O)O[C@@H]2c1ccoc1 ZINC000169447481 EG Annotated Mild CC(C)C1=C2CC[C@](C)(OC(=O)[C@]3(C)O[C@@H]3C)C(=O)C[C@@]2(C)CC1=O ZINC000169455299 EG Annotated Mild C[C@@H]1C2=CC(=O)O[C@@]2(O)C[C@@H]2[C@@H]1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]12C ZINC000169540736 EG Annotated Anodyne CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@]2(C)CC1=O)OC[C@@H]4C ZINC000169541118 EG Annotated Mild Cc1c2c(cc3c1[C@H]1C=C[C@]14C(=O)OC[C@H]34)C(=O)O[C@H]2c1ccoc1 ZINC000169639966 EG Annotated Anodyne C1C[C@H]2[C@@H]3SS[C@@H]4[C@H](CN5CCC[C@@H]45)SS[C@H]3CN2C1 ZINC000169641939 EG Annotated Reactive C=C1C2=CC(=O)[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1C2=O ZINC000169642301 EG Annotated Mild CC1=C2CC[C@H](C)[C@@]23C(=O)O[C@@H]1[C@@]12C(=O)O[C@@H]3C(C)=C1CC[C@@H]2C ZINC000169643131 EG Annotated Anodyne C[C@@H](CO)CCC[C@@]1(CO)[C@H]2CC[C@@H](C)[C@H]3CC=C(C(=O)O)[C@@H]1[C@@H]23 ZINC000169643898 EG Annotated Anodyne CO[C@]1(C)OC(=O)C=C1[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 ZINC000169645736 EG Annotated Reactive Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@@H]1CC[C@]2(C)O[C@@H]2[C@@]31O ZINC000169646478 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO ZINC000169647100 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@]2(O)C1 ZINC000169651953 EG Annotated Anodyne C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@@H]3OC(=O)/C(=C/C)[C@@H]3O[C@@]21C ZINC000169655344 EG Annotated Mild C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@@H]1O ZINC000169661766 EG Annotated Mild COC(=O)C1=C(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC1)[C@@](O)(CO)C4 ZINC000169667563 EG Annotated Anodyne CC(C)[C@]12CC[C@@]34OC(=O)[C@@]35CCCC(C)(C)[C@@H]5CC[C@]4(O)[C@H]1O2 ZINC000169669011 EG Annotated Anodyne O=c1n(-c2ccc([N+](=O)[O-])c3ccccc23)c(O)c2n1[C@@H]1CC[C@H]2C1 ZINC000169685706 EG Annotated Bother CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000169686630 EG Annotated Reactive OC[C@]12C=C[C@H](O1)c1c2c(O)n(-c2ccc(-c3ccccc3)cc2)c1O ZINC000169686665 EG Annotated Anodyne OC[C@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccc(-c3ccccc3)cc2)c1O ZINC000169686666 EG Annotated Anodyne OC[C@@]12C=C[C@H](O1)c1c2c(O)n(-c2ccc(-c3ccccc3)cc2)c1O ZINC000169686667 EG Annotated Anodyne OC[C@@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccc(-c3ccccc3)cc2)c1O ZINC000169686668 EG Annotated Anodyne COc1cccc(C/N=N/c2nn3cnnc3c3ccccc23)c1O ZINC000169686774 EG Annotated Clean COc1cc(C/N=N/c2nn3cnnc3c3ccccc23)ccc1O ZINC000169686775 EG Annotated Clean Cc1cccc(N2C(=S)[C@@H](C#N)C(=O)N[C@@H]2c2cccs2)c1 ZINC000169686817 EG Annotated Mild Cc1cccc(N2C(=S)[C@H](C#N)C(=O)N[C@@H]2c2cccs2)c1 ZINC000169686818 EG Annotated Mild Cc1cccc(N2C(=S)[C@@H](C#N)C(=O)N[C@H]2c2cccs2)c1 ZINC000169686819 EG Annotated Mild Cc1cccc(N2C(=S)[C@H](C#N)C(=O)N[C@H]2c2cccs2)c1 ZINC000169686820 EG Annotated Mild Cc1ccc(-n2[nH]c(C)c(/C=N/c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000169686844 EG Annotated Mild CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 ZINC000169686883 EG Annotated Reactive Cc1ccc([C@@H]2c3c([nH]c(=S)[nH]c3=O)N=C3CCCC(=O)[C@@H]32)cc1 ZINC000169686894 EG Annotated Anodyne Cc1cc(/N=N/Cc2ccc(O)cc2O)nc(-n2nc(C)cc2C)n1 ZINC000169686952 EG Annotated Clean CCOc1ccc(C(C)=O)cc1-n1c(O)c2c(c1O)[C@H]1C=C[C@@H]2O1 ZINC000169687121 EG Annotated Anodyne CCOc1ccc(C(C)=O)cc1-n1c(O)c2c(c1O)[C@H]1C=C[C@H]2O1 ZINC000169687122 EG Annotated Anodyne CCOc1ccc(C(C)=O)cc1-n1c(O)c2c(c1O)[C@@H]1C=C[C@@H]2O1 ZINC000169687123 EG Annotated Anodyne OC[C@]12C=C[C@H](O1)c1c2c(O)n(-c2ccccc2-c2ccccc2)c1O ZINC000169687124 EG Annotated Anodyne OC[C@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccccc2-c2ccccc2)c1O ZINC000169687125 EG Annotated Anodyne OC[C@@]12C=C[C@H](O1)c1c2c(O)n(-c2ccccc2-c2ccccc2)c1O ZINC000169687126 EG Annotated Anodyne OC[C@@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccccc2-c2ccccc2)c1O ZINC000169687127 EG Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccco2)[C@@H]1C(=O)c1ccco1 ZINC000169687351 EG Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccco2)[C@H]1C(=O)c1ccco1 ZINC000169687352 EG Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccco2)[C@@H]1C(=O)c1ccco1 ZINC000169687353 EG Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccco2)[C@H]1C(=O)c1ccco1 ZINC000169687354 EG Annotated Anodyne N#CC1=C2S[C@@H]3CCCC[C@@]3(O)N2C(=N)[C@@H](C#N)C12CCCCC2 ZINC000169687428 EG Annotated Reactive N#CC1=C2S[C@H]3CCCC[C@@]3(O)N2C(=N)[C@@H](C#N)C12CCCCC2 ZINC000169687430 EG Annotated Reactive Cc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3C#N)o1)[C@@H](C#N)C(=N)O2 ZINC000169687478 EG Annotated Mild Cc1[nH]nc2c1[C@H](c1ccc(-c3ccccc3C#N)o1)[C@@H](C#N)C(=N)O2 ZINC000169687479 EG Annotated Mild COc1cc(/N=C/[C@@H]2C(=O)Nc3ccccc32)cc(OC)c1OC ZINC000169687487 EG Annotated Mild COc1cc(/N=C/[C@H]2C(=O)Nc3ccccc32)cc(OC)c1OC ZINC000169687488 EG Annotated Mild Cc1ccccc1NC(=O)Cc1sc(=O)n(-c2ccccc2)c1O ZINC000169688036 EG Annotated Anodyne CSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)[C@@H]1C(=O)CCCC1=N2 ZINC000169688349 EG Annotated Anodyne CSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)[C@H]1C(=O)CCCC1=N2 ZINC000169688350 EG Annotated Anodyne COc1cccc(-c2n[nH]c3c2[C@@H](c2ccoc2)[C@@H](C#N)C(=N)O3)c1 ZINC000169688358 EG Annotated Mild COc1cccc(-c2n[nH]c3c2[C@H](c2ccoc2)[C@@H](C#N)C(=N)O3)c1 ZINC000169688359 EG Annotated Mild CCOc1ccc(C2[C@@H](C#N)C(=N)SC(=N)[C@@H]2C#N)cc1OC ZINC000169688394 EG Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C-](C#N)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000169688700 EG Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000169688949 EG Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000169688950 EG Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1ccc2c(c1)OCO2 ZINC000169688958 EG Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C@H](C#N)[C@@H]2c1ccc2c(c1)OCO2 ZINC000169688959 EG Annotated Mild O=C1O[C@@H]([C@@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21 ZINC000169689133 EG Annotated Mild O=C1O[C@H]([C@@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21 ZINC000169689134 EG Annotated Mild O=C1O[C@@H]([C@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21 ZINC000169689135 EG Annotated Mild O=C1O[C@H]([C@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21 ZINC000169689136 EG Annotated Mild Cc1ccc(/C(=N/C(=O)N2CCOCC2)C(Cl)Cl)cc1F ZINC000169689289 EG Annotated Reactive C[C@@]12CN(NC(=O)c3ccc(Cl)cc3)[C@]3(C#N)C[C@@H]1CC[C@]23C ZINC000169689398 EG Annotated Mild COc1cc(-c2nc3c[nH]ccn-3/c2=N\c2ccccc2)ccc1O ZINC000169689642 EG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(/N=N/Cc2ccc(O)cc2)nc1 ZINC000169689649 EG Annotated Clean Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169689697 EG Annotated Mild Cc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169689698 EG Annotated Mild N#C[C@@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1 ZINC000169689699 EG Annotated Mild N#C[C@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1 ZINC000169689700 EG Annotated Mild N#C[C@@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccncc1 ZINC000169689701 EG Annotated Mild N#C[C@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccncc1 ZINC000169689702 EG Annotated Mild O=C(O)c1ccc(/N=N/Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000169689844 EG Annotated Clean C[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000169689884 EG Annotated Clean C[C@H](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000169689885 EG Annotated Clean Cc1nnc(/N=N/Cc2cc(C)n(-c3ccc(F)cc3)c2C)n1N ZINC000169690015 EG Annotated Clean CN(CCO)c1ccc(C/N=N/c2c(F)c(F)nc(F)c2F)cc1 ZINC000169690378 EG Annotated Clean CC1=Nc2ncnn2[C@@H](c2c[nH]c3ccccc23)[C@@H]1C(=O)OC(C)C ZINC000169690574 EG Annotated Anodyne CC1=Nc2ncnn2[C@H](c2c[nH]c3ccccc23)[C@@H]1C(=O)OC(C)C ZINC000169690575 EG Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2c[nH]c3ccccc23)[C@H]1C(=O)OC(C)C ZINC000169690576 EG Annotated Anodyne CC1=Nc2ncnn2[C@H](c2c[nH]c3ccccc23)[C@H]1C(=O)OC(C)C ZINC000169690577 EG Annotated Anodyne CCCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@@H]1c1cccs1 ZINC000169690601 EG Annotated Anodyne CCCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@@H]1c1cccs1 ZINC000169690602 EG Annotated Anodyne CCCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@H]1c1cccs1 ZINC000169690603 EG Annotated Anodyne CCCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@H]1c1cccs1 ZINC000169690604 EG Annotated Anodyne CCCC1=Nc2ncnn2[C@@H](c2sccc2C)[C@@H]1C(=O)OCC ZINC000169690784 EG Annotated Anodyne CCCC1=Nc2ncnn2[C@H](c2sccc2C)[C@@H]1C(=O)OCC ZINC000169690786 EG Annotated Anodyne CCCC1=Nc2ncnn2[C@@H](c2sccc2C)[C@H]1C(=O)OCC ZINC000169690788 EG Annotated Anodyne CCCC1=Nc2ncnn2[C@H](c2sccc2C)[C@H]1C(=O)OCC ZINC000169690790 EG Annotated Anodyne O=C(O)Cn1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000169690812 EG Annotated Clean COc1ccc(-c2n[nH]c3c2[C@@H](c2ccncc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169690838 EG Annotated Mild COc1ccc(-c2n[nH]c3c2[C@H](c2ccncc2)[C@@H](C#N)C(=N)O3)cc1 ZINC000169690839 EG Annotated Mild CCCc1[nH]nc2c1[C@@H](c1cc(OC)cc(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169690852 EG Annotated Mild CCCc1[nH]nc2c1[C@H](c1cc(OC)cc(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169690853 EG Annotated Mild CCCc1[nH]nc2c1[C@@H](c1ccc(OC)cc1OC)[C@@H](C#N)C(=N)O2 ZINC000169690873 EG Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(OC)cc1OC)[C@@H](C#N)C(=N)O2 ZINC000169690874 EG Annotated Mild CCCc1[nH]nc2c1[C@@H](c1ccc(O)cc1OCC)[C@@H](C#N)C(=N)O2 ZINC000169691019 EG Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(O)cc1OCC)[C@@H](C#N)C(=N)O2 ZINC000169691020 EG Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)[C@@H](C#N)C(=N)O2 ZINC000169691063 EG Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)[C@@H](C#N)C(=N)O2 ZINC000169691064 EG Annotated Mild Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccco1)[C@@H](C#N)C(=N)O2 ZINC000169691068 EG Annotated Mild Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccco1)[C@@H](C#N)C(=N)O2 ZINC000169691069 EG Annotated Mild Cc1[nH]nc2c1[C@@H](c1cc(Br)cs1)[C@@H](C#N)C(=N)O2 ZINC000169691085 EG Annotated Mild Cc1[nH]nc2c1[C@H](c1cc(Br)cs1)[C@@H](C#N)C(=N)O2 ZINC000169691086 EG Annotated Mild CCCc1[nH]nc2c1[C@@H](c1cc(OC)ccc1F)[C@@H](C#N)C(=N)O2 ZINC000169691121 EG Annotated Mild CCCc1[nH]nc2c1[C@H](c1cc(OC)ccc1F)[C@@H](C#N)C(=N)O2 ZINC000169691122 EG Annotated Mild CCOC(=O)[C@@H]1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000169691129 EG Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000169691130 EG Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000169691131 EG Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000169691132 EG Annotated Anodyne Cc1nn(C(=O)[C@@H](C#N)/N=N/c2ccccc2[N+](=O)[O-])c(C)c1C ZINC000169691244 EG Annotated Mild Cc1nn(C(=O)[C@H](C#N)/N=N/c2ccccc2[N+](=O)[O-])c(C)c1C ZINC000169691245 EG Annotated Mild CCNc1nc(/N=N/Cc2ccc(N(C)C)cc2)nc(NCC)n1 ZINC000169691371 EG Annotated Clean CCOC(=O)[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1sccc1C ZINC000169691547 EG Annotated Mild CCOC(=O)[C@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1sccc1C ZINC000169691548 EG Annotated Mild COc1cccc(C/N=N/c2nc3ccccc3n3cnnc23)c1O ZINC000169691987 EG Annotated Clean C[C@@H]1CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1coc2ccccc2c1=O ZINC000169692310 EG Annotated Mild C[C@H]1CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1coc2ccccc2c1=O ZINC000169692311 EG Annotated Mild O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\C/C=N/c1ccccc1 ZINC000169692322 EG Annotated Mild O=C(O)CSc1cc(O)n(-c2ccc(Cl)c(Cl)c2)c1O ZINC000169693076 EG Annotated Anodyne Cc1ccc(NC(=O)Cc2sc(=O)n(-c3ccccc3)c2O)cc1 ZINC000169693087 EG Annotated Anodyne COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1/C=C/c1ccccc1 ZINC000169693253 EG Annotated Anodyne COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1/C=C/c1ccccc1 ZINC000169693254 EG Annotated Anodyne Nc1ccccc1Sc1cc(O)n(-c2ccc3c(c2)OCO3)c1O ZINC000169693304 EG Annotated Anodyne COc1ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)cc1 ZINC000169693320 EG Annotated Bother CC(C)C[C@H]1NC(=O)[C@@H](SCc2cccc(C(F)(F)F)c2)C1=O ZINC000169693666 EG Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@H](SCc2cccc(C(F)(F)F)c2)C1=O ZINC000169693667 EG Annotated Anodyne CC(C)C[C@H]1NC(=O)[C@H](SCc2cccc(C(F)(F)F)c2)C1=O ZINC000169693668 EG Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@@]1(O)C3 ZINC000169693746 EG Annotated Mild C=C1C(=O)[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@]1(O)C3 ZINC000169693747 EG Annotated Mild C[C-](CCC(C)C)/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000169693882 EG Annotated Clean COc1ccc(/C(CCc2ccccc2)=N/N=C/SN)c(O)c1 ZINC000169696996 EG Annotated Mild [C-]#[N+][C@@H]1C(C)=NC(C(F)F)=C(C#N)[C@@H]1c1cc2c(N)nccc2o1 ZINC000169698721 EG Annotated Reactive [C-]#[N+][C@H]1C(C)=NC(C(F)F)=C(C#N)[C@@H]1c1cc2c(N)nccc2o1 ZINC000169698722 EG Annotated Reactive [C-]#[N+][C@@H]1C(C)=NC(C(F)F)=C(C#N)[C@H]1c1cc2c(N)nccc2o1 ZINC000169698723 EG Annotated Reactive [C-]#[N+][C@H]1C(C)=NC(C(F)F)=C(C#N)[C@H]1c1cc2c(N)nccc2o1 ZINC000169698724 EG Annotated Reactive COc1ccc(O)c(C(=O)c2ccc(=O)n(C3CCCCC3)c2)c1 ZINC000169699094 EG Annotated Anodyne O=C(Nc1cc2ccc(O[C@H]3CCCC[C@H]3O)cc2cn1)C1CC1 ZINC000169700041 EG Annotated Anodyne O=C(Nc1cc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2cn1)C1CC1 ZINC000169700042 EG Annotated Anodyne Cc1ccncc1-c1ccc2cc(NC(=O)C3[C@H]4COC[C@@H]34)ncc2c1 ZINC000169700044 EG Annotated Anodyne Cc1ccncc1-c1ccc2cc(NC(=O)C3[C@H]4COC[C@H]34)ncc2c1 ZINC000169700045 EG Annotated Anodyne Cc1ccncc1-c1ccc2cc(NC(=O)C3[C@@H]4COC[C@@H]34)ncc2c1 ZINC000169700046 EG Annotated Anodyne Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c[n+]1[O-] ZINC000169700078 EG Annotated Anodyne C[C@@H]1CCC(=O)N1c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 ZINC000169700140 EG Annotated Anodyne C[C@@H]1CCC(=O)N1c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 ZINC000169700141 EG Annotated Anodyne C[C@H]1CCC(=O)N1c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1 ZINC000169700142 EG Annotated Anodyne NS(=O)(=O)c1ccc(/N=N/C=C/[CH-]c2ccccc2[N+](=O)[O-])cc1 ZINC000169700574 EG Annotated Clean [N-]=[N+]=NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 ZINC000169700708 EG Annotated Clean CC(C)(C)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 ZINC000169701191 EG Annotated Anodyne NC1=N[C@@H](CCc2ccc(Nc3ncc(C4CCC4)cn3)cc2)CO1 ZINC000169701194 EG Annotated Anodyne [C-]#[N+][C@@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(C)c2c1 ZINC000169703261 EG Annotated Reactive [C-]#[N+][C@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(C)c2c1 ZINC000169703262 EG Annotated Reactive [C-]#[N+][C@@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(C)c2c1 ZINC000169703263 EG Annotated Reactive [C-]#[N+][C@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(C)c2c1 ZINC000169703264 EG Annotated Reactive Cc1ccc(C)n2nc(CCc3cn4c(n3)-c3ccccc3C4)nc12 ZINC000169704370 EG Annotated Anodyne Cc1ncc(C)n2nc(/C=C/c3cn4c(n3)-c3ccccc3C4)nc12 ZINC000169704372 EG Annotated Anodyne Cc1cc(C)n2nc(SCc3cn4c(n3)-c3ccccc3C4)nc2n1 ZINC000169704388 EG Annotated Anodyne NC(=O)Nc1cccc(-c2cnc3cc(-c4nncs4)ccn23)c1 ZINC000169704713 EG Annotated Anodyne Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3n[nH]c(C)c23)cc1 ZINC000169705963 EG Annotated Anodyne Cc1cc2n[nH]cc2c(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)cc2)n1 ZINC000169705964 EG Annotated Anodyne Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1cc(=O)[nH]nc1C ZINC000169705977 EG Annotated Anodyne Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1cn[nH]c(=O)c1C ZINC000169705982 EG Annotated Anodyne C[C@@H](Cc1ccc(C#Cc2ccc3c(c2)CCO3)cc1)NC(=O)C1CC1 ZINC000169706162 EG Annotated Mild C[C@H](Cc1ccc(C#Cc2ccc3c(c2)CCO3)cc1)NC(=O)C1CC1 ZINC000169706163 EG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc3c(c2)CCC3=O)cc1 ZINC000169706190 EG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc3c(c2)CCC3=O)cc1 ZINC000169706191 EG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnn(-c3ccccc3)c2)cc1 ZINC000169706194 EG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnn(-c3ccccc3)c2)cc1 ZINC000169706195 EG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)CC#N)cc2)cc1 ZINC000169706238 EG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)CC#N)cc2)cc1 ZINC000169706239 EG Annotated Mild CC(=O)NC[C@@H](C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 ZINC000169706477 EG Annotated Mild CC(=O)NC[C@H](C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 ZINC000169706478 EG Annotated Mild CC1=N[C@@]2(CCOc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N ZINC000169708511 EG Annotated Anodyne CC1=N[C@]2(CCOc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N ZINC000169708512 EG Annotated Anodyne COc1ccc(F)cc1-c1ccc2c(c1)[C@@]1(CCO2)N=C(C)C(N)=N1 ZINC000169708871 EG Annotated Anodyne COc1ccc(F)cc1-c1ccc2c(c1)[C@]1(CCO2)N=C(C)C(N)=N1 ZINC000169708872 EG Annotated Anodyne COc1ccc(C)cc1-c1ccc2c(c1)[C@@]1(CCO2)N=C(C)C(N)=N1 ZINC000169708875 EG Annotated Anodyne COc1ccc(C)cc1-c1ccc2c(c1)[C@]1(CCO2)N=C(C)C(N)=N1 ZINC000169708876 EG Annotated Anodyne O=C1N=Nc2nc(CNCCc3ccccc3F)nc3cccc1c23 ZINC000169710156 EG Annotated Anodyne O=C1N=Nc2nc(CN3CCc4ccccc4C3)nc3cccc1c23 ZINC000169710169 EG Annotated Anodyne CC[N+](C)(CC)CCS[C@@H](N=O)C(=O)c1ccc(OC)cc1 ZINC000169713386 EG Annotated Bother CC[N+](C)(CC)CCS[C@H](N=O)C(=O)c1ccc(OC)cc1 ZINC000169713387 EG Annotated Bother CN(C)CCS[C@@H](N=O)C(=O)c1ccc(Br)cc1 ZINC000169713388 EG Annotated Anodyne CN(C)CCS[C@H](N=O)C(=O)c1ccc(Br)cc1 ZINC000169713389 EG Annotated Anodyne CN(C)CCCS[C@@H](N=O)C(=O)c1ccc(Br)cc1 ZINC000169713402 EG Annotated Anodyne CN(C)CCCS[C@H](N=O)C(=O)c1ccc(Br)cc1 ZINC000169713403 EG Annotated Anodyne C[N+](C)(C)CCS[C@@H](N=O)C(=O)c1ccc(Br)cc1 ZINC000169713416 EG Annotated Bother C[N+](C)(C)CCS[C@H](N=O)C(=O)c1ccc(Br)cc1 ZINC000169713417 EG Annotated Bother Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc(=O)ccc-3c(O)c12 ZINC000169713976 EG Annotated Bother O=C1C(=O)C(c2csc3ccccc23)C(=O)C(=O)C1c1ccccc1 ZINC000169716549 EG Annotated Clean O=C(O)C/C=C/c1c(CCCC(=O)O)c(O)c2ccccc2c1O ZINC000169716759 EG Annotated Anodyne CCC/C(=N\OCC)C1C(=O)CC([C@@H]2CCCSC2)CC1=O ZINC000169717740 EG Annotated Mild CCC/C(=N\OCC)C1C(=O)CC([C@H]2CCCSC2)CC1=O ZINC000169717741 EG Annotated Mild CN1CCN(C2=Cn3c(CN=O)ccc3Sc3ccccc32)CC1 ZINC000169717912 EG Annotated Anodyne Cc1c(/C=C/CCc2nnnn2CCC#N)c(O)c2ccccc2c1O ZINC000169718433 EG Annotated Mild COc1ccc(N(CC2CCCC2)C(=O)Nc2nc(O)cs2)cn1 ZINC000169718710 EG Annotated Anodyne N#CC1=C(N)[C@H]2[C@@H](c3ccccc3)c3ccc(O)cc3O[C@@H]2CC1=N ZINC000169718733 EG Annotated Reactive CCOC(=O)[C@H](c1ccnc(Cl)n1)c1nc2ccccc2s1 ZINC000169718875 EG Annotated Anodyne CCOC(=O)[C@@H](c1ccnc(Cl)n1)c1nc2ccccc2s1 ZINC000169718876 EG Annotated Anodyne N#C[C@@H](c1nc2ccccc2[nH]1)c1nc(Cl)ncc1Br ZINC000169718881 EG Annotated Mild N#C[C@H](c1nc2ccccc2[nH]1)c1nc(Cl)ncc1Br ZINC000169718882 EG Annotated Mild Oc1c2n(c(=S)n1CCN1CCCCC1)Cc1ccccc1C2 ZINC000169718941 EG Annotated Anodyne O=S1(=O)NC(O)=CN1c1csc(-c2ccccc2)c1Cl ZINC000169719926 EG Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1=[N+](C)[O-] ZINC000169720120 EG Annotated Mild CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@@H](C)C(=O)C3(C)C ZINC000169720416 EG Annotated Anodyne CC(=O)Oc1ccc2c(c1)c1c(O)oc(=O)nc1n2C1CCCCC1 ZINC000169721499 EG Annotated Anodyne CC[C@]12CCCN3CC[C@]4(C(=Nc5ccccc54)[C@@H](C(=O)OC)C1)[C@@H]32 ZINC000169721848 EG Annotated Anodyne CC[C@]12CCCN3CC[C@]4(C(=Nc5ccccc54)[C@H](C(=O)OC)C1)[C@@H]32 ZINC000169721849 EG Annotated Anodyne O=NCc1cccc[n+]1CCCCCCC[n+]1ccccc1CN=O ZINC000169721865 EG Annotated Anodyne O=c1c(O)ccc2oc(CNCc3ccc(Cl)cc3)cc(O)c1-2 ZINC000169722149 EG Annotated Anodyne O=c1c(O)ccc2oc(CNCc3cccc(Cl)c3)cc(O)c1-2 ZINC000169722150 EG Annotated Anodyne COc1ccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)cc1 ZINC000169723223 EG Annotated Clean COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(C(=O)O)cc2)c1 ZINC000169723232 EG Annotated Clean COc1ccccc1/N=N/c1c(-c2cnccc2OC)[nH][nH]c1=O ZINC000169723250 EG Annotated Clean COc1cccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)c1 ZINC000169723251 EG Annotated Clean O=Nc1c(-[c-]2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH]c2ccc(O)cc12 ZINC000169723354 EG Annotated Bother CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@]1(C)c1ccccc1 ZINC000169723398 EG Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@]1(C)c1ccccc1 ZINC000169723399 EG Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@]1(C)c1ccccc1 ZINC000169723400 EG Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@]1(C)c1ccccc1 ZINC000169723401 EG Annotated Anodyne CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1F ZINC000169723669 EG Annotated Anodyne CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1F ZINC000169723670 EG Annotated Anodyne N#C[C@@H]1C(=N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724147 EG Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724148 EG Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724149 EG Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169724150 EG Annotated Mild COc1cc2c(cc1OC)-c1cc3cc(=O)c(OC)cc-3cn1CC2 ZINC000169724155 EG Annotated Anodyne O=CCNc1c(Cl)c(O)n(-c2ccc(Cl)c(Cl)c2)c1O ZINC000169724227 EG Annotated Mild Nc1c2c(=O)n(C3CCC3)cc-2[nH]c2c(-c3ncccn3)cccc12 ZINC000169724331 EG Annotated Anodyne Nc1c2c(=O)n(C3CCC3)cc-2[nH]c2c(-c3cncnc3)cccc12 ZINC000169724332 EG Annotated Anodyne CC(C)CCNC(=O)[C@H](CC(C)C)/N=C/[C@@H]1C(=O)Nc2ccccc21 ZINC000169724599 EG Annotated Mild CC(C)CCNC(=O)[C@H](CC(C)C)/N=C/[C@H]1C(=O)Nc2ccccc21 ZINC000169724600 EG Annotated Mild C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2c(N)ccc3ncsc23)c1O ZINC000169727149 EG Annotated Anodyne C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2c(N)ccc3ncsc23)c1O ZINC000169727150 EG Annotated Anodyne C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2c(N)ccc3ncsc23)c1O ZINC000169727151 EG Annotated Anodyne C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cnc(C#N)c(Cl)c2)c1O ZINC000169727155 EG Annotated Mild C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cnc(C#N)c(Cl)c2)c1O ZINC000169727156 EG Annotated Mild C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2cnc(C#N)c(Cl)c2)c1O ZINC000169727157 EG Annotated Mild Cc1onc(C(=O)O)c1[C@@H](C)/N=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169727560 EG Annotated Clean Cc1onc(C(=O)O)c1[C@H](C)/N=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169727561 EG Annotated Clean N#C[C@@H]1C(=N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169728027 EG Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169728028 EG Annotated Mild Cc1cc(=O)n2[nH]c(SCc3cc(Cl)ccc3Cl)nc2n1 ZINC000169728245 EG Annotated Anodyne Cc1cc(=O)n2[nH]c(SCc3c(Cl)cccc3Cl)nc2n1 ZINC000169728246 EG Annotated Anodyne Cc1cc(=O)n2[nH]c(SCc3ccc(Cl)c(Cl)c3)nc2n1 ZINC000169728247 EG Annotated Anodyne CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)[CH-]C(=O)C(=O)O ZINC000169728846 EG Annotated Anodyne COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C)cc-4[nH]c23)c1 ZINC000169729119 EG Annotated Anodyne COC(=O)c1ccc2[nH]c([C@H]3C(=O)Nc4ccccc43)c(N=O)c2c1 ZINC000169729482 EG Annotated Anodyne COC(=O)c1ccc2[nH]c([C@@H]3C(=O)Nc4ccccc43)c(N=O)c2c1 ZINC000169729483 EG Annotated Anodyne S=C1N=C2/C(=C/c3ccccc3)CNC[C@@H]2[C@@H](c2ccccc2)N1 ZINC000169729979 EG Annotated Anodyne S=C1N=C2/C(=C/c3ccccc3)CNC[C@H]2[C@@H](c2ccccc2)N1 ZINC000169729980 EG Annotated Anodyne S=C1N=C2/C(=C/c3ccccc3)CNC[C@@H]2[C@H](c2ccccc2)N1 ZINC000169729981 EG Annotated Anodyne S=C1N=C2/C(=C/c3ccccc3)CNC[C@H]2[C@H](c2ccccc2)N1 ZINC000169729982 EG Annotated Anodyne CC1(C)Cc2c(nn(-c3cccc(C(F)(F)F)c3)c(=N)c2C#N)CO1 ZINC000169730333 EG Annotated Mild CC1(C)Cc2c(nn(-c3ccccc3C(F)(F)F)c(=N)c2C#N)CO1 ZINC000169730334 EG Annotated Mild CCCCc1ccccc1-n1nc2c(c(C#N)c1=N)CC(C)(C)OC2 ZINC000169730354 EG Annotated Mild CCCCc1ccc(-n2nc3c(c(C#N)c2=N)CC(C)(C)OC3)cc1 ZINC000169730355 EG Annotated Mild CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(C)cc1 ZINC000169730688 EG Annotated Anodyne CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(C)cc1 ZINC000169730689 EG Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000169773186 EG Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000169773190 EG Annotated Anodyne Cc1ccc(S(=O)(=O)NN=C2CC(C)(C)CC(=O)C2(C)C)cc1 ZINC000017020022 EG Annotated Anodyne CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O ZINC000017105126 EG Annotated Mild C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@H]1O ZINC000017109001 EG Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@@H](C)C[C@@H](O)C[C@@H]2[C@@H](OC(=O)C=C(C)C)[C@H]1O ZINC000017109003 EG Annotated Mild C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@H]1O ZINC000017109005 EG Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@@H](C)C[C@H](O)C[C@@H]2[C@@H](OC(=O)C=C(C)C)[C@H]1O ZINC000017109007 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@]1(O)C3 ZINC000017187355 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@]1(O)C3 ZINC000017187357 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@@]4(C)[C@@H]2CC[C@]1(O)C3 ZINC000017187360 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@]1(O)C3 ZINC000017187363 EG Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5nonc5CC[C@]34C)[C@H]1C/C(=N/O)C2=O ZINC000017195126 EG Annotated Mild COc1cc(/C=C2\CC[C@@](C)(CN(C)C)C2=O)cc(OC)c1OC ZINC000017198823 EG Annotated Mild COc1cc(/C=C2\CC[C@](C)(CN(C)C)C2=O)cc(OC)c1OC ZINC000017198825 EG Annotated Mild C=CCOC(=O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1 ZINC000017216551 EG Annotated Mild Cc1c(C(=O)/C=C/c2ccccc2O)c(=O)n(-c2ccccc2)n1C ZINC000017219166 EG Annotated Mild CC(=O)NC1(NC(C)=O)[C@H]2C[C@@H]([C@H]1Cc1ccccc1)C(C)(C)[C@H]2C ZINC000017221113 EG Annotated Anodyne Oc1nc(S)nc2nc3c4cccnc4c4ccccc4c3nc12 ZINC000017221582 EG Annotated Bother Cc1nn(C(=O)c2ccncc2)c2c1[C@@H](c1ccccc1)SC(=N)N2 ZINC000017222146 EG Annotated Anodyne O=C(/N=N/c1ccc([N+](=O)[O-])cc1)NNc1ccc([N+](=O)[O-])cc1 ZINC000017255613 EG Annotated Reactive O=c1[nH]nc(Nc2ccc(Cl)cc2)c2nnn(C3CCCCC3)c12 ZINC000017261338 EG Annotated Anodyne C[C@H]1CN(c2ccccn2)[C@@H](C)CN1C(=S)Nc1ccccc1 ZINC000017325415 EG Annotated Anodyne O[C@H](c1ccc(Cl)cc1Cl)[C@H](Cc1cccnc1)n1cncn1 ZINC000017440314 EG Annotated Anodyne O[C@H](c1ccc(Cl)cc1Cl)[C@@H](Cc1cccnc1)n1cncn1 ZINC000017440315 EG Annotated Anodyne O[C@@H](c1ccc(Cl)cc1Cl)[C@H](Cc1cccnc1)n1cncn1 ZINC000017440316 EG Annotated Anodyne O[C@@H](c1ccc(Cl)cc1Cl)[C@@H](Cc1cccnc1)n1cncn1 ZINC000017440317 EG Annotated Anodyne CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1 ZINC000017511322 EG Annotated Mild CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1 ZINC000017511324 EG Annotated Mild CSc1nc2n(n1)[C@@H](c1ccccn1)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000017511617 EG Annotated Anodyne CSc1nc2n(n1)[C@@H](c1ccccn1)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000017511619 EG Annotated Anodyne CSc1nc2n(n1)[C@H](c1ccccn1)[C@H]1C(=O)CC(C)(C)CC1=N2 ZINC000017511621 EG Annotated Anodyne CSc1nc2n(n1)[C@H](c1ccccn1)[C@@H]1C(=O)CC(C)(C)CC1=N2 ZINC000017511623 EG Annotated Anodyne CCn1c(C)c(P(c2ccccc2)c2ccccc2)[n+]2ccccc12 ZINC000017595893 EG Annotated Reactive Cc1c(/N=N\C2=C(O)CCCC2=O)c(=O)n(-c2ccccc2)n1C ZINC000017595900 EG Annotated Mild COc1ccc([C@H]2c3c(C)n[nH]c3N=C3CCCC(=O)[C@H]32)cc1OC ZINC000017731262 EG Annotated Anodyne COc1ccc([C@H]2c3c(C)n[nH]c3N=C3CCCC(=O)[C@@H]32)cc1OC ZINC000017731264 EG Annotated Anodyne Cc1nc2c3c(sc2c(=O)[nH]1)NC(=O)C[C@H]3c1ccccc1Cl ZINC000017747311 EG Annotated Anodyne CC(=O)C1=C(O)[C@H](Cc2c[nH]c3cccc(CC=C(C)C)c23)NC1=O ZINC000017889037 EG Annotated Mild in-vitro C/N=c1\scc(-c2ccc(OC)cc2)n1/N=C(\C)c1cccnc1 ZINC000017918347 EG Annotated Mild Cc1c2c(cc3c1C(=O)C(O)=C([C@@H](C)CO)C3=O)C(C)(C)CCC2 ZINC000017994780 EG Annotated Mild CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C/c1ccc(Cl)cc1 ZINC000017995937 EG Annotated Mild CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C/c1ccc(Cl)cc1 ZINC000017995943 EG Annotated Mild C/C(=N\NC(=S)Nc1ccc(Cl)cc1)c1nc2ncccc2[nH]1 ZINC000018009047 EG Annotated Mild CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C/c1ccccc1Cl ZINC000018009581 EG Annotated Mild Fc1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1F ZINC000018034456 EG Annotated Anodyne Cc1nc2c3c(sc2c(=O)[nH]1)NC(=O)C[C@@H]3c1ccccc1Cl ZINC000018037798 EG Annotated Anodyne COc1ccc([C@@H]2c3c(C)n[nH]c3N=C3CCCC(=O)[C@H]32)cc1OC ZINC000018084466 EG Annotated Anodyne COc1ccc([C@@H]2c3c(C)n[nH]c3N=C3CCCC(=O)[C@@H]32)cc1OC ZINC000018084468 EG Annotated Anodyne O=S(=O)(/N=C(/c1ccccc1F)N1CCCCC1)c1ccccc1 ZINC000018088082 EG Annotated Mild C[C@H](c1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000018124608 EG Annotated Bother COc1ccccc1/C=C/C=N\[C@@H]1C(=O)N(c2ccccc2)[N+](C)=C1C ZINC000018154810 EG Annotated Mild COc1ccccc1/C=C/C=N/[C@H]1C(=O)N(c2ccccc2)[N+](C)=C1C ZINC000018154812 EG Annotated Mild COC1=C/C(=C/NN2[C@@H](C)CCC[C@H]2C)C=C(Br)C1=O ZINC000018155820 EG Annotated Mild COc1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1 ZINC000018156700 EG Annotated Mild Cc1cccc2c1cnn2C(=O)CCC(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000018176264 EG Annotated Anodyne Cc1ccc(C)c(OCc2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)no2)c1 ZINC000018177241 EG Annotated Anodyne Cc1cc(N(CCO)CCO)ccc1/N=N\c1cc(F)ccc1F ZINC000018178629 EG Annotated Clean C[C@@H]1Nc2cc(NC(=O)OCCF)nc(N)c2N=C1c1ccccc1 ZINC000018180317 EG Annotated Anodyne Oc1c2c(nc3nc(NCc4cccc5ccccc45)nn13)CCC2 ZINC000018221933 EG Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C ZINC000018246681 EG Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C ZINC000018246683 EG Annotated Mild [O-][n+]1ccccc1SCc1nc2cc(Br)ccc2[nH]1 ZINC000185397367 EG Annotated Anodyne CN1CCC(n2[nH]cc3nc(-c4coc(-c5ccccc5)n4)nc2-3)CC1 ZINC000019112146 EG Annotated Anodyne COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC ZINC000019134826 EG Annotated Mild COc1ccc([C@H]2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC ZINC000019134832 EG Annotated Mild CN(CCc1cnn(C)c1)Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000019220961 EG Annotated Anodyne CCc1ccc(CNC[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)o1 ZINC000019225790 EG Annotated Anodyne CSc1ncc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)cn1 ZINC000019229193 EG Annotated Anodyne CSc1ncc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)cn1 ZINC000019229195 EG Annotated Anodyne COc1c(C)cc(C)cc1-c1nc2c(cnn2C2CCN(C)CC2)[nH]1 ZINC000019229261 EG Annotated Anodyne Cc1cc(C)c(O)c(CN2CCN(C(C)C)CCN(C(C)C)CC2)c1 ZINC000019365658 EG Annotated Clean COC(=O)/C=C/OC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C ZINC000194996663 EG Annotated Reactive C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3C[C@@H]12 ZINC000019703267 EG Annotated Mild COc1ccc(-c2n[nH]cc2CNCCc2cscn2)cc1F ZINC000019741744 EG Annotated Anodyne CCn1cncc1CN1CCC([C@@H]2CCN(CC(C)(C)C)C2)CC1 ZINC000019743531 EG Annotated Anodyne CCn1cncc1CN1CCC([C@H]2CCN(CC(C)(C)C)C2)CC1 ZINC000019743533 EG Annotated Anodyne COc1ccnc(Cn2ccc(-c3cccc(-c4cncnc4)c3)n2)c1 ZINC000019770754 EG Annotated Anodyne CC(C)Cc1noc(-c2ccc(NCc3noc(C(C)C)n3)nc2)n1 ZINC000019771427 EG Annotated Anodyne Cc1ncc2c(c1-c1noc([C@@H]3CCc4ccccc4O3)n1)CCNC2 ZINC000019771809 EG Annotated Anodyne Cc1ncc2c(c1-c1noc([C@H]3CCc4ccccc4O3)n1)CCNC2 ZINC000019771811 EG Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3ccc4ncsc4c3)n1)CCNC2 ZINC000019773817 EG Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3nc(C(C)C)cs3)n1)CCNC2 ZINC000019792781 EG Annotated Anodyne Fc1ccc([C@@]2(c3noc(CCc4ccncc4)n3)CCOC2)cc1 ZINC000019812730 EG Annotated Anodyne Fc1ccc([C@]2(c3noc(CCc4ccncc4)n3)CCOC2)cc1 ZINC000019812733 EG Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000019831667 EG Annotated Mild C[C@H](c1cccc(-c2nc3c(cnn3Cc3cccnc3)[nH]2)c1)N(C)C ZINC000019838236 EG Annotated Anodyne C[C@@H](c1cccc(-c2nc3c(cnn3Cc3cccnc3)[nH]2)c1)N(C)C ZINC000019838238 EG Annotated Anodyne Cc1nn(C)c(C)c1CN(Cc1nc(CCC(C)C)no1)C(C)C ZINC000019841506 EG Annotated Anodyne Fc1cccc([C@@]2(CNc3ccnn3Cc3ccco3)CCOC2)c1 ZINC000019882691 EG Annotated Anodyne Fc1cccc([C@]2(CNc3ccnn3Cc3ccco3)CCOC2)c1 ZINC000019882693 EG Annotated Anodyne Cc1n[nH]c(C)c1CCCN(C)C[C@@]1(c2cccc(F)c2)CCOC1 ZINC000019883666 EG Annotated Anodyne Cc1n[nH]c(C)c1CCCN(C)C[C@]1(c2cccc(F)c2)CCOC1 ZINC000019883668 EG Annotated Anodyne Cc1ccccc1-n1cc(-c2ccnc(NC[C@@H]3CCCOC3)n2)cn1 ZINC000019938854 EG Annotated Anodyne Cc1ccccc1-n1cc(-c2ccnc(NC[C@H]3CCCOC3)n2)cn1 ZINC000019938855 EG Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CCCC[C@@]1(CO)CC2)c1ccc(Cl)s1 ZINC000195086144 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)CC)=C\C[C@H]12 ZINC000195120187 EG Annotated Mild O=C1O[B-]2(N[C@H]1Cc1c[nH]c3ccc(O)cc13)C1CCCC2CCC1 ZINC000195144792 EG Annotated Anodyne COC(=O)CCOC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195188800 EG Annotated Reactive CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@@H]1O4 ZINC000195243558 EG Annotated Reactive CCCCC/N=C(/N)N/N=C/c1c[nH]c2ccc([Si](C)(C)C)cc12 ZINC000195258615 EG Annotated Mild C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000195288343 EG Annotated Reactive C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(c3ccco3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000195288358 EG Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000195288370 EG Annotated Reactive COc1cc(-c2cn(C[Si](C)(C)C)nn2)ccc1-n1cnc(C)c1 ZINC000195319699 EG Annotated Anodyne COc1cc(-n2cc(C[Si](C)(C)C)nn2)ccc1-n1cnc(C)c1 ZINC000195326990 EG Annotated Anodyne C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@@H]2C ZINC000195349602 EG Annotated Mild C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@H]2C ZINC000195349671 EG Annotated Mild C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@H]2C ZINC000195349679 EG Annotated Mild C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)/C=C\CC(=O)OC ZINC000195354571 EG Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(/C)[C@H]2O ZINC000195359156 EG Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(/C)CC/C=C(/C)[C@H]2O ZINC000195359164 EG Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(\C)CC/C=C(/C)[C@H]2O ZINC000195359171 EG Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(/C)[C@H]2O ZINC000195359177 EG Annotated Mild COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@H]1c1ccccc1[C@H](OC)[C@H]2C ZINC000195360099 EG Annotated Anodyne COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@H]1c1ccccc1[C@@H](OC)[C@H]2C ZINC000195360108 EG Annotated Anodyne COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@H]1c1ccccc1[C@H](OC)[C@@H]2C ZINC000195360115 EG Annotated Anodyne COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@H]1c1ccccc1[C@@H](OC)[C@@H]2C ZINC000195360124 EG Annotated Anodyne CN1CC[C@@]2(CCCCCC2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000195366633 EG Annotated Anodyne CN1CC[C@]2(CCCCCC2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000195366645 EG Annotated Anodyne CC1=C2[C@H](O)[C@H]([C@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O ZINC000195367040 EG Annotated Mild CC1=C2[C@H](O)[C@@H]([C@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O ZINC000195367049 EG Annotated Mild C[Si](C)(C)CS(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000195367933 EG Annotated Anodyne COC(=O)/C=C/C1=C(C)C2=Cc3c(C)cc(C)n3[B-](F)(F)[N+]2=C1C ZINC000195370664 EG Annotated Anodyne CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C/[C@](C)(O)CC/C=C(/CC1)C(=O)O2 ZINC000195416804 EG Annotated Anodyne C[C@@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@H]3[C@H](C)CO[C@]3(C)O4)C[C@@H]12 ZINC000195422874 EG Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@@H]12)O[C@]1(C)OC[C@H](C)[C@@H]1C4 ZINC000195422882 EG Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@@H]12)O[C@@]1(C)OC[C@@H](C)[C@@H]1C4 ZINC000195422890 EG Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O ZINC000195424855 EG Annotated Anodyne CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@H]1C ZINC000195459830 EG Annotated Anodyne CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@H]1C ZINC000195459836 EG Annotated Anodyne COC(=O)[C@]1(C)[C@@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000195480117 EG Annotated Anodyne COC(=O)[C@]1(C)[C@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000195480121 EG Annotated Anodyne CC1(CC(=O)O[C@H](C#C[Si](C)(C)C)Cc2ccccc2)OCCO1 ZINC000195494492 EG Annotated Mild CC1(CC(=O)O[C@@H](C#C[Si](C)(C)C)Cc2ccccc2)OCCO1 ZINC000195494495 EG Annotated Mild CC(=O)NC1(NC(C)=O)[C@H](Cc2ccccc2)[C@@H]2C[C@@H]1[C@@H](C)C2(C)C ZINC000195496826 EG Annotated Anodyne CC(=O)NC1(NC(C)=O)[C@@H]2C[C@@H]([C@H]1Cc1ccccc1)C(C)(C)[C@H]2C ZINC000195496829 EG Annotated Anodyne N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@]1(C#N)[C@@H](c1ccccc1)O3 ZINC000195516002 EG Annotated Mild C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1F ZINC000195960389 EG Annotated Anodyne C[Si](C)(C)C[C@](O)(Cn1cncn1)c1ccc(Cl)cc1F ZINC000195960393 EG Annotated Anodyne C[Si](C)(C)CC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000196161324 EG Annotated Anodyne C[Si](C)(C)CC[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000196161329 EG Annotated Anodyne CN1C/C(=C\c2ccccc2)C2=NN(CCO)[C@@H](c3ccccc3)[C@H]2C1 ZINC000196481816 EG Annotated Anodyne CN1N=C2/C(=C/c3ccccc3)CN(C(N)=O)C[C@H]2[C@H]1c1ccccc1 ZINC000196482013 EG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]34C)[C@@H]1C[C@@H]1OC(=O)C[C@@H]12 ZINC000196583108 EG Annotated Anodyne CCOC(=O)c1cc2c(OC)cc(Br)c(OC)c2[nH]1 ZINC000196608941 EG Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc([Si](C)(C)C)cc2)c1Cl ZINC000197133827 EG Annotated Anodyne CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3CO[C@H](O)C3=CC[C@@H]12 ZINC000197174361 EG Annotated Reactive COc1c(C(C)C)cc(O)c2c1CC[C@@H]1[C@]2(C)CC[C@H](O)[C@]1(C)CO ZINC000197446847 EG Annotated Anodyne CC[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C=O)[C@@H]4CC1)[C@H]32 ZINC000197874883 EG Annotated Anodyne O=C(O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2 ZINC000198008715 EG Annotated Anodyne in-vitro N#Cc1c(-c2cccs2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O ZINC000198023987 EG Annotated Mild CC(C)[C@H]1CC[C@H]2[C@@H]3C=C[C@](C)(O)C(=O)C[C@]3(C)CC[C@@]21C(=O)O ZINC000198044154 EG Annotated Anodyne O=C(COc1c(Cl)cc(Cl)cc1Cl)NN/C=C1/C=CC=N1 ZINC000198342401 EG Annotated Reactive CC(C)=CCOc1cc(O)c2c3c(c(O)cc(C)c13)OC(=O)C2=O ZINC000198421079 EG Annotated Anodyne O=c1c2ccccc2sc2cc(OC[C@H](O)CCl)cc(O)c12 ZINC000198496392 EG Annotated Reactive O=c1c2ccccc2sc2cc(OC[C@@H](O)CCl)cc(O)c12 ZINC000198496404 EG Annotated Reactive OC[C@H](O)C#CC#C/C=C\CCCCCC/C=C/Br ZINC000198646744 EG Annotated Mild CC1=CC(=O)/C(=C(O)/C=C/c2ccccc2Br)C(=O)O1 ZINC000198679302 EG Annotated Mild CC1=CC(=O)/C(=C(O)/C=C/c2c(F)c(F)c(F)c(F)c2F)C(=O)O1 ZINC000198766050 EG Annotated Mild C[C@H]1COc2c1cc1c(c2O)C[C@@]23CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H]1O3 ZINC000198795660 EG Annotated Anodyne C/C=C/C(=O)N1CCc2cc3c(c4c2[C@@H]1[C@H](O)c1ccccc1-4)OCO3 ZINC000198811755 EG Annotated Anodyne Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@H]1CC(C)(C)N([O])C1(C)C ZINC000198852734 EG Annotated Anodyne Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@H]1CC(C)(C)N([O])C1(C)C ZINC000198852745 EG Annotated Anodyne CC(=O)C[C@H]1O[C@@H]([C@](C)(O)/C=C/C=O)[C@@H]2[C@@H](C(C)C)CC=C(C)[C@H]12 ZINC000198886182 EG Annotated Reactive C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3C[C@H](O)/C(C)=C/CC/C(C)=C/C[C@H]12 ZINC000199203739 EG Annotated Mild CC(C)(C)n1nnnc1[C@@H](c1cc2ccccc2o1)N1CCCC1 ZINC000199217685 EG Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cc2ccccc2o1)N1CCCC1 ZINC000199217699 EG Annotated Anodyne CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000199224609 EG Annotated Anodyne CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000199224624 EG Annotated Anodyne Cc1ccccc1CN1C(=O)c2ccccc2[C@H]1c1nnnn1C(C)C ZINC000199224736 EG Annotated Anodyne Cc1ccccc1CN1C(=O)c2ccccc2[C@@H]1c1nnnn1C(C)C ZINC000199224747 EG Annotated Anodyne COc1ccc([C@@](O)(c2ncnc3ccccc23)C(F)(F)F)cc1 ZINC000199275851 EG Annotated Anodyne COc1ccc([C@](O)(c2ncnc3ccccc23)C(F)(F)F)cc1 ZINC000199275865 EG Annotated Anodyne CC1(C)CC(=O)C=C(c2ccccc2-c2cccc(C(N)=O)c2)C1=O ZINC000199355393 EG Annotated Mild CC(C)C(=O)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1 ZINC000199407620 EG Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@H]1c1cccc(Cl)c1 ZINC000199423107 EG Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199423121 EG Annotated Anodyne NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Cl ZINC000199711049 EG Annotated Anodyne CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1cccs1 ZINC000199724730 EG Annotated Anodyne CCOC(=O)CN1CCCc2nc(-c3ccc(OC)cc3)ccc21 ZINC000199726612 EG Annotated Anodyne COCc1[nH]nc2c1[C@@H](c1ccccc1)N(Cc1ccccc1)C2=O ZINC000199730749 EG Annotated Anodyne COCc1[nH]nc2c1[C@H](c1ccccc1)N(Cc1ccccc1)C2=O ZINC000199730765 EG Annotated Anodyne CCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccc(Br)cc1 ZINC000199730782 EG Annotated Anodyne CCCN1C(=O)c2n[nH]c(C)c2[C@@H]1c1ccc(Br)cc1 ZINC000199730797 EG Annotated Anodyne COCc1[nH]nc2c1[C@@H](c1ccc(F)cc1)N(c1ccccc1)C2=O ZINC000199731210 EG Annotated Anodyne COCc1[nH]nc2c1[C@H](c1ccc(F)cc1)N(c1ccccc1)C2=O ZINC000199731226 EG Annotated Anodyne COC(=O)N1Cc2ccnnc2C[C@@H]1c1ccccc1Br ZINC000199734829 EG Annotated Anodyne COC(=O)N1Cc2ccnnc2C[C@H]1c1ccccc1Br ZINC000199734857 EG Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(Br)ccc4CCN3C[C@@H]12 ZINC000199739838 EG Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(N5CCCCC5)ccc4CCN3C[C@@H]12 ZINC000199740217 EG Annotated Anodyne CCCCCC[C@@H](C)/C=C(\C)[C@H](O)[C@H]1C=C(/C=C/C(=O)O)C(=O)O1 ZINC000199804517 EG Annotated Anodyne CC(C)[C@]12/C=C/[C@](C)(O)CC/C=C(\CO)CC[C@H](O)[C@](C)(CC1)O2 ZINC000199852506 EG Annotated Anodyne CC(C)[C@]12/C=C/[C@@](C)(O)CC/C=C(\CO)CC[C@H](O)[C@](C)(CC1)O2 ZINC000199852561 EG Annotated Anodyne CC(C)[C@]12/C=C/[C@@](C)(O)CC/C=C(\CO)CC[C@H](O1)[C@@](C)(O)CC2 ZINC000199852627 EG Annotated Anodyne CC(C)[C@]12/C=C/[C@](C)(O)CC/C=C(\CO)CC[C@H](O1)[C@@](C)(O)CC2 ZINC000199857719 EG Annotated Anodyne CC(C)/C1=C/[C@H](O)[C@](C)(O)CC/C=C(\CO)CC[C@@H]2O[C@@]2(C)CC1 ZINC000199857789 EG Annotated Anodyne C/C1=C\[C@H](O)[C@@]2(C(C)C)CC[C@](C)(O2)[C@@H](O)CC/C(CO)=C/CC1 ZINC000199861444 EG Annotated Anodyne C=C1CC(=O)/C=C(/C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 ZINC000199863358 EG Annotated Mild CO[C@@]1(CO)CCC[C@H]2C1=CC[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O ZINC000199928787 EG Annotated Anodyne CCOCn1c(SC2CCCCC2)c(C(C)C)c(=O)[nH]c1=O ZINC000002008218 EG Annotated Anodyne in-vivo C=CCN1c2cc(F)ccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000002008761 EG Annotated Mild CN(C)C(=O)c1ccc(N/C=C(\C=O)c2nc3ccccc3o2)cc1 ZINC000002026071 EG Annotated Reactive CCOCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl ZINC000002069791 EG Annotated Anodyne CC1(C)Cc2nc3sc4c(NCCO)ncnc4c3cc2CS1 ZINC000002229761 EG Annotated Anodyne CCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000002290247 EG Annotated Mild Cc1nc(N2CCC3(CC2)OCCO3)c2c3c(sc2n1)CCCC3 ZINC000002452505 EG Annotated Anodyne CCCCN(c1ccccc1)S(=O)(=O)c1cccc2nonc12 ZINC000002457868 EG Annotated Clean CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)[C@@H]1c1cccs1 ZINC000002460040 EG Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)[C@@H]1c1cccs1 ZINC000002460043 EG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)[C@H]1c1cccs1 ZINC000002460046 EG Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)[C@H]1c1cccs1 ZINC000002460048 EG Annotated Anodyne CCN(CC)CCNC(=O)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002461384 EG Annotated Anodyne O=C(NCc1ccccn1)c1cc2c(=O)oc3ccccc3c2s1 ZINC000002461388 EG Annotated Anodyne O=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12 ZINC000002462045 EG Annotated Anodyne aggregator O=c1sc(N2CCN(c3ccc(F)cc3)CC2)nc2ccsc12 ZINC000002462047 EG Annotated Anodyne Cc1ccc(-c2cc(-c3ccc(F)cc3)c3c(=O)[nH]c(=O)[nH]c3n2)cc1 ZINC000002464122 EG Annotated Anodyne FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-n2cncn2)n1 ZINC000002466154 EG Annotated Anodyne CCOc1ccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=O)cc1 ZINC000002466206 EG Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002466573 EG Annotated Anodyne COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000002480314 EG Annotated Anodyne COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000002483239 EG Annotated Anodyne COCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC ZINC000002483406 EG Annotated Anodyne CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCOC ZINC000002483756 EG Annotated Anodyne CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCO)cc1 ZINC000002483819 EG Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOC)cc1 ZINC000002483826 EG Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCOC)c1 ZINC000002483893 EG Annotated Anodyne COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC ZINC000002483900 EG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC(C)(C)O2 ZINC000002487134 EG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC(C)(C)O2 ZINC000002487136 EG Annotated Anodyne CCCCCCN1C(=O)NC(=O)/C(=C\c2ccccc2Cl)C1=O ZINC000002496683 EG Annotated Clean CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1 ZINC000002499505 EG Annotated Anodyne O=C(NCc1ccco1)c1ccc(C[S@](=O)c2ccccc2)o1 ZINC000002499506 EG Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c([C@@H](C)CC)nc2n1 ZINC000002499608 EG Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c([C@H](C)CC)nc2n1 ZINC000002499609 EG Annotated Anodyne CCCCCCN(C)c1ccc2[nH]c(=O)c(CCSC)nc2n1 ZINC000002499661 EG Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CCCC)nc2n1 ZINC000002499673 EG Annotated Anodyne COc1ccc([C@H](/C(O)=N/C2CCCCC2)N2CCOCC2)cc1 ZINC000020108398 EG Annotated Mild COc1ccc([C@@H](/C(O)=N/C2CCCCC2)N2CCOCC2)cc1 ZINC000020108400 EG Annotated Mild Cc1nn(C)c(Cl)c1-c1nc2c(cnn2C[C@H]2CC=CCC2)[nH]1 ZINC000020205070 EG Annotated Anodyne Cc1nn(C)c(Cl)c1-c1nc2c(cnn2C[C@@H]2CC=CCC2)[nH]1 ZINC000020205073 EG Annotated Anodyne COc1cc(CN[C@@H]2COc3c(cccc3OC)C2)c(Cl)cc1O ZINC000020207168 EG Annotated Anodyne COc1cc(CN[C@H]2COc3c(cccc3OC)C2)c(Cl)cc1O ZINC000020207172 EG Annotated Anodyne COc1cc(-c2nc(CN(C)Cc3nnc(C)o3)c(C)o2)ccc1F ZINC000020210101 EG Annotated Anodyne CC(C)c1ccc([C@@H]2CC(=O)N3CN(C)CSC3=C2C#N)cc1 ZINC000020238207 EG Annotated Reactive aggregator CC(C)c1ccc([C@H]2CC(=O)N3CN(C)CSC3=C2C#N)cc1 ZINC000020238210 EG Annotated Reactive aggregator Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)sc2n1 ZINC000020355519 EG Annotated Anodyne Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)sc2n1 ZINC000020355520 EG Annotated Anodyne Cc1cccc2c1-c1sc(C(=O)N3CCN(C)CC3)cc1CO2 ZINC000020355754 EG Annotated Anodyne CC[C@H](C(=O)N1C[C@@H](C)C[C@@H](C)C1)n1c(C(=O)OC)cc2occc21 ZINC000020382780 EG Annotated Anodyne CC[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)n1c(C(=O)OC)cc2occc21 ZINC000020382788 EG Annotated Anodyne CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1ccc(Cl)cc1Cl ZINC000020437859 EG Annotated Anodyne CC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@H]1c1ccc(Cl)cc1Cl ZINC000020437863 EG Annotated Anodyne CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1ccc(Cl)cc1Cl ZINC000020437867 EG Annotated Anodyne Cn1nnc2c(NC3CC3)nc(Cc3ccc(Cl)cc3Cl)nc21 ZINC000020444012 EG Annotated Anodyne Cc1nnc(NCCC(C)C)c2c1nnn2Cc1ccc(F)cc1 ZINC000020447468 EG Annotated Anodyne Cc1nnc(NC2CCCC2)c2c1nnn2Cc1ccc(F)cc1 ZINC000020447471 EG Annotated Anodyne CO[C@@H](C(=O)N1CCc2[nH]nc(C3CCCC3)c2C1)c1ccccc1 ZINC000020454073 EG Annotated Anodyne CO[C@H](C(=O)N1CCc2[nH]nc(C3CCCC3)c2C1)c1ccccc1 ZINC000020454075 EG Annotated Anodyne C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C/C=C(/CO)CC[C@@H]1O ZINC000200223607 EG Annotated Mild COc1ccc([C@@H]2C[C@H]3CN(C4CCCCC4)C(=O)[C@@H]3N2C)cc1 ZINC000200549883 EG Annotated Anodyne Nc1nc(Nc2ccccc2)nn1-c1cc(Nc2ccccc2)ncn1 ZINC000200578944 EG Annotated Anodyne in-vitro Cc1ccc2c(c1)CN1c3ccc(C)cc3CN2C1N1CCOCC1 ZINC000200621833 EG Annotated Anodyne COC1=Cc2ccnc3c(NCCc4ccccc4)cnc(c23)C1=O ZINC000200718205 EG Annotated Mild N#Cc1cccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)c1 ZINC000200827300 EG Annotated Mild N#Cc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1 ZINC000200827978 EG Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc(C(=O)O)cc1 ZINC000200829286 EG Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(=O)O)cc1 ZINC000200830895 EG Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1OCCO ZINC000200833741 EG Annotated Mild CCOC(=O)c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C(F)(F)F ZINC000200836738 EG Annotated Anodyne CCOC(=O)c1cn(-c2ccc(C(=O)O)cc2)cc1C(F)(F)F ZINC000200837235 EG Annotated Anodyne N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc2c(c1)OCO2 ZINC000200841237 EG Annotated Mild COc1ccccc1-c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C#N ZINC000200846744 EG Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1cccc(C(=O)O)c1 ZINC000200847187 EG Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cccc2c1OCO2 ZINC000200848210 EG Annotated Mild O=C(c1sccc1Cl)N1CCC(n2nnc3ncccc32)CC1 ZINC000201449524 EG Annotated Anodyne C=CCCC(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000201464146 EG Annotated Mild C=CCCC(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000201464183 EG Annotated Mild O=C(Cn1c(-c2cncs2)nc2ccccc21)N1CCCCC1 ZINC000201474841 EG Annotated Anodyne C[C@@H]1[C@@H](O)C[C@]2(C[C@@H](O)c3ccccc3O2)O[C@H]1c1ccccc1 ZINC000201477481 EG Annotated Anodyne C[C@@H]1[C@@H](O)C[C@@]2(C[C@H](O)c3ccccc3O2)O[C@@H]1c1ccccc1F ZINC000201477583 EG Annotated Anodyne C[C@@H]1[C@@H](O)C[C@@]2(C[C@H](O)c3ccccc3O2)O[C@H]1c1ccccc1F ZINC000201477619 EG Annotated Anodyne Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1 ZINC000201747656 EG Annotated Anodyne CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000201768441 EG Annotated Mild C[C@H]1/C=C/C(=O)O[C@H](C)[C@@H](C)/C=C/C=C/C(=O)[C@H](C)C[C@H](C)[C@@H]1O ZINC000202774332 EG Annotated Mild O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccc1 ZINC000202898824 EG Annotated Anodyne O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccc1 ZINC000202898841 EG Annotated Anodyne C[C@@H]1[C@@H](O)C[C@@]2(C[C@H](O)c3ccccc3O2)O[C@H]1c1ccccc1 ZINC000203455985 EG Annotated Anodyne COC(=O)c1cc(-c2cc3ccccc3s2)c(=O)n2c1CCC2 ZINC000203461037 EG Annotated Anodyne O=C(Nc1ccc(F)cc1)OCc1cn(Cc2ccccc2F)nn1 ZINC000203462533 EG Annotated Anodyne CC(C)(C)n1nnnc1[C@@H]1CN=C(c2ccccc2)c2ccccc2N1 ZINC000203464134 EG Annotated Anodyne CC(C)(C)n1nnnc1[C@H]1CN=C(c2ccccc2)c2ccccc2N1 ZINC000203464140 EG Annotated Anodyne O=C1[C@@H](C2CC2)[C@@H]2c3ccccc3C=NN2[C@@H]2c3ccccc3C=NN12 ZINC000203465104 EG Annotated Anodyne CCCCCn1nnnc1[C@]1(C)CCCCC(=O)N1Cc1ccco1 ZINC000203465506 EG Annotated Anodyne CCCCCn1nnnc1[C@@]1(C)CCCCC(=O)N1Cc1ccco1 ZINC000203465512 EG Annotated Anodyne O=c1c2cc3cccnc3nc2ncn1CCc1c[nH]c2ccccc12 ZINC000203467155 EG Annotated Bother COC(=O)[C@]1(C#N)CC(=O)N(CC2CCCCC2)[C@@H]1c1ccccc1 ZINC000203469611 EG Annotated Mild CCc1ccc(N2C(=O)C[C@@](C#N)(C(=O)OC)[C@H]2c2ccccc2)cc1 ZINC000203469850 EG Annotated Mild CN(CC#CC1=CCCCC1)/C(N)=N/C(=O)OCc1ccccc1 ZINC000203471425 EG Annotated Mild C=CCOC/C=C/C#CCN(CC=C)Cc1ccc(OC)cc1OC ZINC000203471710 EG Annotated Mild CC[C@H](CCCc1ccccc1OC)CCS(=O)(=O)N(C)C ZINC000203472993 EG Annotated Anodyne CC(C)CN(CC(C)C)C(=O)CSc1nc2cccnc2n1C ZINC000203475345 EG Annotated Anodyne C=C[C@]1(C)C=C2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O ZINC000203714219 EG Annotated Mild Cc1ccc(N2CCc3nc(COc4ccccc4)cn3C2=O)nc1 ZINC000203779033 EG Annotated Anodyne O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12 ZINC000203784593 EG Annotated Anodyne O=C1N(c2ccc(F)cn2)CCc2nc(COc3ccccc3)cn21 ZINC000204294573 EG Annotated Anodyne O=c1n(-c2cccc(F)c2)ccc2nc(COc3ccccc3)cn12 ZINC000204321065 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc3ccccc3[nH]2)ccc1F ZINC000204406095 EG Annotated Anodyne OC[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1CC1 ZINC000204407398 EG Annotated Anodyne CC(C)(CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204407713 EG Annotated Anodyne CC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204407939 EG Annotated Anodyne CC(C)[C@H](CO)NCc1cccc(-c2cccc([Si](C)(C)C)c2)n1 ZINC000204408134 EG Annotated Anodyne CC(C)(CO)CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204409117 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cccc(N(C)C)c2)ccc1F ZINC000204409237 EG Annotated Anodyne O[C@@H]1CCC[C@@H]1NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204410359 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204410594 EG Annotated Anodyne CC(C)(O)CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204410689 EG Annotated Anodyne CC(=O)c1cccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1 ZINC000204412878 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc(F)c(F)c(F)c2)ccc1F ZINC000204413092 EG Annotated Anodyne C[C@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)[C@@H](C)O ZINC000204413825 EG Annotated Anodyne C[C@@H](O)[C@@H](C)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F ZINC000204413844 EG Annotated Anodyne C[C@H](O)[C@H](C)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F ZINC000204413859 EG Annotated Anodyne C[C@H](O)[C@@H](C)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F ZINC000204413873 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc3ccccc3n2C)ccc1F ZINC000204414138 EG Annotated Anodyne CC(C)[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204414175 EG Annotated Anodyne CC(C)Oc1ccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)cn1 ZINC000204414211 EG Annotated Anodyne OCC1(NCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCC1 ZINC000204414319 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2ccc3c(ccn3C)c2)ccc1F ZINC000204414378 EG Annotated Anodyne C[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC000204414486 EG Annotated Anodyne CC(C)(CO)NCc1cccc(-c2cccc([Si](C)(C)C)c2)n1 ZINC000204414843 EG Annotated Anodyne CC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F ZINC000204414949 EG Annotated Anodyne CC(C)[C@H](CO)NCc1cccc(C#Cc2ccc(Cl)cc2)n1 ZINC000204415295 EG Annotated Mild CC(C)[C@H](CO)NCc1nc(-c2cccc3c2ccn3C)ccc1F ZINC000204415329 EG Annotated Anodyne CC[C@H](O)CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204415403 EG Annotated Anodyne CC[C@@H](O)CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204415420 EG Annotated Anodyne CCC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204415604 EG Annotated Anodyne O[C@H]1CCC[C@@H]1NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204416201 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2ccc3ccn(C)c3c2)ccc1F ZINC000204417103 EG Annotated Anodyne CC(C)[C@H](CO)NCc1cccc(-c2ccc(C(F)(F)F)nc2)n1 ZINC000204418951 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(C#N)c2)ccc1F ZINC000204419540 EG Annotated Mild CC(=O)c1cccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1F ZINC000204419643 EG Annotated Anodyne CC(C)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204422165 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc(F)c(F)cc2F)ccc1F ZINC000204422186 EG Annotated Anodyne C[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H](C)O ZINC000204422536 EG Annotated Anodyne C[C@@H](O)[C@@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204422554 EG Annotated Anodyne C[C@H](O)[C@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204422569 EG Annotated Anodyne C[C@H](O)[C@@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000204422593 EG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(F)c2F)ccc1F ZINC000204426233 EG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(O)[C@@H]2O)cc1 ZINC000204562587 EG Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)nc2)n1 ZINC000204937157 EG Annotated Mild Cc1cccnc1NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000020531338 EG Annotated Anodyne Cc1cccnc1NC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000020531339 EG Annotated Anodyne Cc1cccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)n1 ZINC000020531340 EG Annotated Anodyne Cc1cccc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)n1 ZINC000020531341 EG Annotated Anodyne COc1ccnc(Cn2ccc(-c3cccc(-c4nccn4C)c3)n2)c1 ZINC000020536173 EG Annotated Anodyne Cc1nn(C2CCCCC2)c2[nH]c(C(C)(C)CN3CCOCC3)nc12 ZINC000020538577 EG Annotated Anodyne OCC[C@H]1CN(Cc2cccc3cnccc23)CCN1C1CCCC1 ZINC000020540718 EG Annotated Anodyne COc1ccc(Cc2[nH]nc3c2CN(Cc2nccs2)CC3)cc1 ZINC000020541490 EG Annotated Anodyne Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCOCC2)s1 ZINC000020597758 EG Annotated Anodyne O=C1CC[C@H](c2nc(CC(c3ccccc3)c3ccccc3)no2)N1 ZINC000020598500 EG Annotated Anodyne OCC[C@H]1CN(Cc2nc3ccccc3s2)CCN1C1CCCC1 ZINC000020598532 EG Annotated Anodyne O=C(NCc1noc(C2CCCC2)n1)c1ccc([C@@H]2CCCN2)s1 ZINC000020598990 EG Annotated Anodyne O=C(NCc1noc(C2CCCC2)n1)c1ccc([C@H]2CCCN2)s1 ZINC000020598991 EG Annotated Anodyne Cc1c2c(nc3c(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cnn13)CCCC2 ZINC000020678507 EG Annotated Anodyne Cc1c2c(nc3c(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cnn13)CCCC2 ZINC000020678511 EG Annotated Anodyne CC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)N1C(=O)COc2ccccc21 ZINC000020686097 EG Annotated Anodyne Cc1ccc(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)nn1 ZINC000020774191 EG Annotated Anodyne Cc1nn(C)c(Cl)c1-c1nc2c(cnn2Cc2ccccc2)[nH]1 ZINC000020780585 EG Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3cc4cc(F)ccc4[nH]3)n1)CCNC2 ZINC000020782187 EG Annotated Anodyne COc1ccc([C@@H](C#CCOc2ccccc2)N2CCOCC2)cc1 ZINC000020807027 EG Annotated Mild COc1ccc([C@H](C#CCOc2ccccc2)N2CCOCC2)cc1 ZINC000020807031 EG Annotated Mild Cc1oc2ncn(CC(C)C)c(=O)c2c1NC(=O)NC1CCCCC1 ZINC000020847853 EG Annotated Anodyne COc1nccnc1-c1cccc(-c2ccn(Cc3ccncc3)n2)c1 ZINC000020867484 EG Annotated Anodyne CCC[C@@H](C)c1nnc(NC(=O)NCc2noc(C3CC3)n2)s1 ZINC000020867737 EG Annotated Anodyne CCC[C@H](C)c1nnc(NC(=O)NCc2noc(C3CC3)n2)s1 ZINC000020867740 EG Annotated Anodyne CCN(Cc1cnn(C)c1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000020993780 EG Annotated Anodyne Cc1ncsc1CCCNC(=O)c1ccc([C@@H]2CCCN2)s1 ZINC000020995458 EG Annotated Anodyne Cc1ncsc1CCCNC(=O)c1ccc([C@H]2CCCN2)s1 ZINC000020995461 EG Annotated Anodyne Cc1ccn2cc(CNC(=O)c3ccc([C@@H]4CCCN4)s3)nc2c1 ZINC000020997724 EG Annotated Anodyne Cc1ccn2cc(CNC(=O)c3ccc([C@H]4CCCN4)s3)nc2c1 ZINC000020997726 EG Annotated Anodyne Cc1ccc(SC2CCN(C(=O)CCc3n[nH]c(C)n3)CC2)cc1 ZINC000020998722 EG Annotated Anodyne CCCCCO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl ZINC000205339045 EG Annotated Reactive CCCCCO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl ZINC000205339060 EG Annotated Reactive CCCCCO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl ZINC000205339074 EG Annotated Reactive CCCCCO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl ZINC000205339087 EG Annotated Reactive O=C(c1ccc2c(c1)OCO2)[C@@H]1CO[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000205384885 EG Annotated Anodyne O=C(NCc1ccc(F)cc1)Nc1cc2n[nH]c(C3CC3)c2cn1 ZINC000205434128 EG Annotated Anodyne CC1=C(C=O)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)O[C@@H](C)C3 ZINC000205485236 EG Annotated Reactive C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CC[C@]2(C)O[C@]2(C)C1=CC3=O ZINC000205485277 EG Annotated Mild C[C@@]1([C@H](O)CO)C=C2CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1 ZINC000205491946 EG Annotated Anodyne COc1cc2ccc1Oc1cc(ccc1O)C[C@@H](O)[C@@H](O)CCCC2 ZINC000205499192 EG Annotated Anodyne COC(=O)c1cc2cc(NCc3cc4nc[nH]c4cc3C)cnc2[nH]1 ZINC000205521635 EG Annotated Anodyne CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@@H]1C[C@H]21 ZINC000205603144 EG Annotated Anodyne CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 ZINC000205604283 EG Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@H]2CCCN2C1=O ZINC000205636078 EG Annotated Mild C[C@@H]1C(=O)C=C2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2 ZINC000205655846 EG Annotated Mild CCCCc1c(C)nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n12 ZINC000205703475 EG Annotated Anodyne CS(=O)(=O)N1c2ccccc2C[C@H]1Cc1cc2ccccc2o1 ZINC000205703684 EG Annotated Anodyne COc1ccccc1CN[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205705584 EG Annotated Anodyne COc1cccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)c1 ZINC000205705732 EG Annotated Anodyne COc1ccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1 ZINC000205705802 EG Annotated Anodyne O=C(NCc1ccco1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205706271 EG Annotated Anodyne O=C(NCc1ccco1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205711070 EG Annotated Anodyne CCCCNC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C ZINC000205711886 EG Annotated Anodyne CCN(CC)C(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C ZINC000205711926 EG Annotated Anodyne C[C@H]1[C@@H](OC(=O)N2CCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205711999 EG Annotated Anodyne C[C@H]1[C@@H](OC(=O)NC2CCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205712052 EG Annotated Anodyne O=C(N[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1)c1ccccc1 ZINC000205713030 EG Annotated Anodyne O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1)c1ccccc1 ZINC000205713049 EG Annotated Anodyne C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NCc1cccnc1 ZINC000205713298 EG Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)NCC)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713719 EG Annotated Anodyne CC[C@@H](C#Cc1ccccc1)N(C)/C(N)=N/C(=O)/C=C/c1ccccc1 ZINC000205717437 EG Annotated Mild CC[C@H](C#Cc1ccccc1)N(C)/C(N)=N/C(=O)/C=C/c1ccccc1 ZINC000205717459 EG Annotated Mild CCOC(=O)/C(C#N)=C\C(=C(\O)c1ccccc1)[n+]1ccc(C)cc1 ZINC000205723945 EG Annotated Reactive COc1ccc2nccc(C(=O)C3=CC=C4C=[N+]([O-])CC[C@H]4C3)c2c1 ZINC000205757660 EG Annotated Mild COc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc1 ZINC000205828908 EG Annotated Reactive CCCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 ZINC000205861192 EG Annotated Clean in-vitro CC(=O)[C@H](C(=O)Nc1c(C)cccc1C)N(C(C)=O)C1CCCCC1 ZINC000205862522 EG Annotated Anodyne CC(=O)[C@@H](C(=O)Nc1c(C)cccc1C)N(C(C)=O)C1CCCCC1 ZINC000205862542 EG Annotated Anodyne c1ccc2[nH]c(Cn3c(-c4cnccn4)nc4ccccc43)nc2c1 ZINC000205863278 EG Annotated Anodyne CCOC(=O)c1cncn1-c1ccccc1CNC(=O)OC(C)(C)C ZINC000205863754 EG Annotated Anodyne CCCN1C(=O)CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccco1 ZINC000206021073 EG Annotated Anodyne COC(=O)[C@@]1(C#N)CC(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 ZINC000206021268 EG Annotated Mild Cc1cc2onc([C@H]3CCCN3C(=O)N3CCOCC3)c2cc1C ZINC000206029792 EG Annotated Anodyne COc1cc2onc([C@H]3CCCN3C(=O)C(F)(F)F)c2cc1OC ZINC000206030008 EG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1N(C)c3ccccc3[C@@]13CCN[C@H]3C2 ZINC000206037896 EG Annotated Clean CCCCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C ZINC000206044862 EG Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](C1CC1)N1C(=O)C(=O)c2ccccc21 ZINC000206050722 EG Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](C1CC1)N1C(=O)C(=O)c2ccccc21 ZINC000206050747 EG Annotated Anodyne COc1ccc2c3n([n+]([O-])c2c1)[C@H](C)CN=C3c1ccc(Cl)cc1 ZINC000206061083 EG Annotated Anodyne COc1ccc2c3n([n+]([O-])c2c1)[C@@H](C)CN=C3c1ccc(Cl)cc1 ZINC000206061098 EG Annotated Anodyne Cc1ccc(S(=O)(=O)N2C=CC(=O)C[C@@H]2c2cccs2)cc1 ZINC000206062298 EG Annotated Mild Cc1ccc(S(=O)(=O)N2C=CC(=O)C[C@H]2c2cccs2)cc1 ZINC000206062324 EG Annotated Mild O=C1C=CN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2cccs2)C1 ZINC000206062403 EG Annotated Mild O=C1C=CN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2cccs2)C1 ZINC000206062421 EG Annotated Mild O=CN1Cc2nc3ccccc3n2-c2cc(Br)ccc21 ZINC000206062884 EG Annotated Anodyne CC1(C)OB(c2cc(C(F)(F)F)cc(C(F)(F)F)n2)OC1(C)C ZINC000206084379 EG Annotated Mild CC(C)=CCOc1ccc([C@@H]2C(=O)N(O)C(=O)/C2=C\C(C)C)cc1 ZINC000206112043 EG Annotated Anodyne CC(C)(C)Oc1c(OC2CC2)ccnc1B1OC(C)(C)C(C)(C)O1 ZINC000206124789 EG Annotated Mild CC(C)(C)Oc1c(OC2CC2)cncc1B1OC(C)(C)C(C)(C)O1 ZINC000206124821 EG Annotated Mild CC(C)(C)Oc1cc(OC2CC2)cnc1B1OC(C)(C)C(C)(C)O1 ZINC000206124882 EG Annotated Mild CC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ncc1OC1CC1 ZINC000206124935 EG Annotated Mild CC(C)(C)Oc1cc(OC2CC2)cc(B2OC(C)(C)C(C)(C)O2)n1 ZINC000206125003 EG Annotated Mild CC(C)(C)Oc1ccc(OC2CC2)c(B2OC(C)(C)C(C)(C)O2)n1 ZINC000206125127 EG Annotated Mild CC(C)(C)Oc1cnc(B2OC(C)(C)C(C)(C)O2)c(OC2CC2)c1 ZINC000206125218 EG Annotated Mild CC(C)(C)Oc1cnc(B2OC(C)(C)C(C)(C)O2)cc1OC1CC1 ZINC000206125254 EG Annotated Mild CC(C)(C)Oc1cncc(OC2CC2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206125279 EG Annotated Mild CC(C)(C)Oc1nc(B2OC(C)(C)C(C)(C)O2)ccc1OC1CC1 ZINC000206125304 EG Annotated Mild CC(C)(C)Oc1cc(OC2CC2)c(B2OC(C)(C)C(C)(C)O2)cn1 ZINC000206125338 EG Annotated Mild CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1OC1CC1 ZINC000206125374 EG Annotated Mild CC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(OC2CC2)cn1 ZINC000206125409 EG Annotated Mild CC(C)(C)Oc1ncc(OC2CC2)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206125440 EG Annotated Mild CC(C)(C)Oc1nccc(OC2CC2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206125472 EG Annotated Mild CC(C)(C)Oc1ccnc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1 ZINC000206125546 EG Annotated Mild CC(C)(C)Oc1cncc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1 ZINC000206125584 EG Annotated Mild CC(C)(C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1 ZINC000206125621 EG Annotated Mild CC(C)Oc1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206189810 EG Annotated Mild CC1(C)OB(c2cc(C(F)(F)F)cnc2-n2cccc2)OC1(C)C ZINC000206190206 EG Annotated Mild COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NCc1ccccc1 ZINC000206190984 EG Annotated Mild COc1ncc(NCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206192096 EG Annotated Mild CNc1nc(OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 ZINC000206194074 EG Annotated Mild COc1nc(NCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 ZINC000206194552 EG Annotated Mild CN(Cc1ccccc1)c1ncc(F)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206198501 EG Annotated Mild Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)Cc1ccccc1 ZINC000206198874 EG Annotated Mild Cc1cc(N(C)Cc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 ZINC000206199451 EG Annotated Mild Cc1nc(N(C)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 ZINC000206199960 EG Annotated Mild Cc1cnc(N(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 ZINC000206200494 EG Annotated Mild CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NC1CC1 ZINC000206202010 EG Annotated Mild CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N1CCCC1 ZINC000206202144 EG Annotated Mild CC(C)CCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000206703740 EG Annotated Clean CCCCCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000206703805 EG Annotated Clean CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(OC)nc2ccccc12 ZINC000206749656 EG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C)CO[C@@]12OC(=O)c1c2ccc2c(C)cccc12 ZINC000207036430 EG Annotated Anodyne CC1(C)OB(c2ccc(N(CCCl)CCCl)cc2)OC1(C)C ZINC000207145297 EG Annotated Reactive COC(=O)/C1=C/[C@@H]2[C@H](C[C@]3(C)O[C@H]3CC1)[C@H]1[C@]2(C(C)C)CC[C@@]1(C)O ZINC000207150670 EG Annotated Anodyne N[C@@]1(Cc2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)CCCOC1 ZINC000207269425 EG Annotated Anodyne N[C@]1(Cc2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)CCCOC1 ZINC000207269466 EG Annotated Anodyne C/C1=C\[C@@H]2OC[C@](C)(O)/C2=C/C[C@@](C)(O)/C=C/C[C@]2(C)O[C@H]2CC1 ZINC000207616541 EG Annotated Anodyne C=C1CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H](O)[C@](C)(O)CC[C@H]1O ZINC000207616667 EG Annotated Mild CC(C)=C[C@H]1O[C@@]2(C)C[C@H](O)O[C@@]13[C@@H](C)[C@@H]1CC[C@H](C)[C@H]1C(=O)[C@@H]23 ZINC000207656279 EG Annotated Anodyne C=C[C@@](C)(O)C/C=C/[C@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1 ZINC000207657953 EG Annotated Mild Cc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 ZINC000209106904 EG Annotated Reactive CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(F)cc2)cc1 ZINC000209106948 EG Annotated Reactive COc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc1 ZINC000209109423 EG Annotated Reactive C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2 ZINC000209138429 EG Annotated Anodyne C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@@H]1O)O2 ZINC000209138472 EG Annotated Anodyne C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@H]1O)O2 ZINC000209138507 EG Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1 ZINC000209681614 EG Annotated Anodyne C[C@]12CCC[C@@](C)(C=O)[C@H]1CC(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000209689068 EG Annotated Mild COc1cc2c(cc1OC)/C(=N/Cc1ccc3c(c1)OCO3)CC2 ZINC000021029851 EG Annotated Mild O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCCC1 ZINC000021033837 EG Annotated Anodyne CCCCc1c(C)nc2nc(NCc3ccc(C)cc3)nn2c1O ZINC000021178528 EG Annotated Anodyne CCC[C@@](O)(CCN1CCOCC1)c1ccc(Br)cc1 ZINC000021348184 EG Annotated Anodyne CCC[C@](O)(CCN1CCOCC1)c1ccc(Br)cc1 ZINC000021348191 EG Annotated Anodyne CC(C)/C1=C/[C@H]2[C@@](C)(O)CC[C@]2(O)[C@@]2(C)CCC=C(CC1)C(=O)O2 ZINC000210241630 EG Annotated Anodyne Cc1cc(O)cc(Oc2cc(O)cc(C)c2C[C@H](O)C(C)(C)O)c1 ZINC000210356019 EG Annotated Anodyne C/C=C1\C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO ZINC000210979935 EG Annotated Bother C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(\C)CC[C@H](O)[C@]2(C)CC[C@@H]1O2 ZINC000211906930 EG Annotated Mild OC[C@H](O)C#CC#CCCCCCCCC/C=C\Br ZINC000212339485 EG Annotated Mild COc1c(OC(C)=O)cc2c3c(cc4ccccc4c13)N(C(C)=O)C2=O ZINC000213202928 EG Annotated Bother CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@](C)(O)C2=CC(=O)C(C)(C)O2)C1 ZINC000214051406 EG Annotated Mild CCCOc1ccccc1N[C@H]1NC(=O)C[C@@H](c2ccccc2)N1 ZINC000214975698 EG Annotated Anodyne CCCOc1ccccc1N[C@@H]1NC(=O)C[C@@H](c2ccccc2)N1 ZINC000214975748 EG Annotated Anodyne CCCOc1ccccc1N[C@H]1NC(=O)C[C@H](c2ccccc2)N1 ZINC000214975797 EG Annotated Anodyne CCCOc1ccccc1N[C@@H]1NC(=O)C[C@H](c2ccccc2)N1 ZINC000214975836 EG Annotated Anodyne CCCCN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000021639840 EG Annotated Anodyne CCOCCCNCc1cccn1-c1sc(C)c(C)c1C(=O)O ZINC000021935429 EG Annotated Anodyne C#CCSc1nc(Cl)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000215975965 EG Annotated Mild Cc1c(C(=O)Nc2ccc(F)cc2Cl)n[nH]c1[Si](C)(C)C ZINC000216557894 EG Annotated Anodyne C=CC(=C)[C@H]1[C@@H]2CC(=O)O[C@@H](CC=C(C)C)C2=CO[C@@H]1OC(C)=O ZINC000217017487 EG Annotated Mild CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(O)cc2)n1 ZINC000218478306 EG Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3N3CCCC3=O)cc2F)cn1 ZINC000218629325 EG Annotated Anodyne O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(-c3ccccc3)cn2c1 ZINC000218633353 EG Annotated Anodyne O=C(N[C@H]1CN2CCC1CC2)c1cc2c(-c3ccccc3)cccn2c1 ZINC000218633445 EG Annotated Anodyne O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(-c3ccccc3)ccn2c1 ZINC000218633548 EG Annotated Anodyne O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3)n2c1 ZINC000218947868 EG Annotated Anodyne C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(\C)CC[C@@H]2O[C@]2(C)CC[C@H]1O ZINC000219053292 EG Annotated Mild C=C1CCC2=C(C)CO[C@H]2/C=C(/C)CC[C@@H](O)[C@](C)(O)CC[C@H]1O ZINC000219054554 EG Annotated Mild N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)nc2)n1 ZINC000219286690 EG Annotated Mild CCOCc1[nH]nc2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 ZINC000219752820 EG Annotated Anodyne O=C(NCC1CCC1)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1 ZINC000219757863 EG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2n[nH]c(C(F)F)c2cn1)c1ccccn1 ZINC000219766448 EG Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)C[C@@H]1C=C(Cl)Cl ZINC000022015640 EG Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)C[C@H]1C=C(Cl)Cl ZINC000022015648 EG Annotated Anodyne Cc1cc(O)c(C2=NCCS[C@@H](c3cccc(F)c3)C2)c(=O)o1 ZINC000022018202 EG Annotated Anodyne Cc1cc(O)c(C2=NCCS[C@H](c3cccc(F)c3)C2)c(=O)o1 ZINC000022018206 EG Annotated Anodyne C=C[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000022452391 EG Annotated Mild C=C[C@@H](CO)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000022452396 EG Annotated Mild CN(C)CCN(Cc1ccccc1)Cc1coc2ccccc2c1=O ZINC000022455673 EG Annotated Anodyne COCCOc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1 ZINC000220385122 EG Annotated Anodyne C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000220512710 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cscn2)n1 ZINC000220654458 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cscn2)n1 ZINC000220669689 EG Annotated Anodyne C[C@H](Nc1ncc(F)c(N2CCOC2=O)n1)c1cccc(F)c1F ZINC000220700727 EG Annotated Anodyne CC(C)CCC[C@]1(C)CCc2cc(S(N)(=O)=O)cc(F)c2O1 ZINC000220737626 EG Annotated Anodyne CC(C)CCC[C@@]1(C)CCc2cc(S(N)(=O)=O)cc(F)c2O1 ZINC000220737696 EG Annotated Anodyne O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1n[nH]c2ccccc12 ZINC000220740873 EG Annotated Anodyne COC(=O)c1ccc(-c2ccc(CN3CCCN(C)CC3)cc2)cc1 ZINC000220945801 EG Annotated Anodyne O=Cc1c(O)ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc12 ZINC000221062913 EG Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)c(F)c2)n1 ZINC000221070536 EG Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(Cl)c2)n1 ZINC000221120225 EG Annotated Mild N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221194273 EG Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221194330 EG Annotated Mild N#C[C@@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221194441 EG Annotated Mild C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)C1CC1 ZINC000221306768 EG Annotated Anodyne O=c1ccn(-c2cc(-c3cccc(C(F)(F)F)n3)ccn2)cc1O ZINC000221456785 EG Annotated Anodyne Cc1csc2c(OC[C@@H]3CCCN3)nc(-c3ccncc3)nc12 ZINC000221523746 EG Annotated Anodyne CN[C@@H]1CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O[C@H]1OC ZINC000221705801 EG Annotated Anodyne CN[C@@H]1CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O[C@H]1OC ZINC000221705858 EG Annotated Anodyne CC(C)(C)n1nc(-c2cnc3cc(Cl)ccc3c2)c(C(N)=O)c1N ZINC000221716810 EG Annotated Anodyne CCc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1 ZINC000221717066 EG Annotated Anodyne Cc1cc(=O)n2c(c1C1CC1)SC[C@H]2C(=O)Nc1ccccc1 ZINC000221748229 EG Annotated Anodyne Nc1nc(-c2cc(Br)cc3ccoc23)c2[nH]cnc2n1 ZINC000221806290 EG Annotated Anodyne in-vitro N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2cncc(Cl)c2)n1 ZINC000221830996 EG Annotated Mild CCCNc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C ZINC000222360358 EG Annotated Anodyne CCCCNc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C ZINC000222435568 EG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N)cc2)n1 ZINC000222600844 EG Annotated Anodyne CC(C)(Oc1ccc(-n2nc3ccc(Cl)cc3n2)cc1)C(=O)O ZINC000222640326 EG Annotated Anodyne Nc1nc(=O)c2c(CCc3ccccc3)c(-c3ccccc3)[nH]c2[nH]1 ZINC000222801484 EG Annotated Anodyne in-vitro COc1nn2cc(-c3cc4ccc(OC)c(OC)c4o3)nc2s1 ZINC000223067647 EG Annotated Anodyne C=C[C@@](C)(O)C[C@@H](/C=C(\C)[C@@H](CC=C(C)C)OC(C)=O)OC(C)=O ZINC000223529715 EG Annotated Mild C[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000223660419 EG Annotated Anodyne C[C@@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000223661762 EG Annotated Anodyne N[C@H]1C[C@@H]1Nc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000223665696 EG Annotated Anodyne Clc1cnccc1-c1nc(N[C@@H]2CCNC2)c2sccc2n1 ZINC000223667455 EG Annotated Anodyne C[C@H](N)CNc1nc(-c2ccncc2)nc2c1sc1ncccc12 ZINC000223668585 EG Annotated Anodyne C[C@@H](N)CNc1nc(-c2ccncc2)nc2c1sc1ncccc12 ZINC000223669611 EG Annotated Anodyne NCCNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3 ZINC000223674674 EG Annotated Anodyne CCc1c(C)sc2nc(-c3ccncc3)nc(NC[C@@H](C)N)c12 ZINC000223685525 EG Annotated Anodyne CCc1c(C)sc2nc(-c3ccncc3)nc(NC[C@H](C)N)c12 ZINC000223685686 EG Annotated Anodyne CC(C)(C)c1cc2nc(-c3ccncc3)nc(NCCN)c2s1 ZINC000223687471 EG Annotated Anodyne NC(=O)c1ccc(-c2cnc3ccc(Cc4ccccc4)nn23)cc1 ZINC000223803082 EG Annotated Anodyne CC(=O)Nc1cccc(-c2cnc3ccc(-c4cccnc4)nn23)c1 ZINC000223803187 EG Annotated Anodyne CCCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 ZINC000224546230 EG Annotated Anodyne CN(C)CCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224549014 EG Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H]3CCNC3)c2F)cn1 ZINC000224557133 EG Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H]3CCNC3)c2F)cn1 ZINC000224557174 EG Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OCCCC(=O)O)c2F)cn1 ZINC000224563429 EG Annotated Anodyne CN(C)CCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224565438 EG Annotated Anodyne C[S@@](=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224762873 EG Annotated Anodyne C[S@](=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224762920 EG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3Oc3ncccn3)cn2)cn1 ZINC000224768188 EG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3N3CCNC3=O)cc2F)cn1 ZINC000224808922 EG Annotated Anodyne Cc1cc(-c2ccccc2S(C)(=O)=O)ccc1-c1cnc(N)cn1 ZINC000224823591 EG Annotated Anodyne C=C[C@H](CO)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000022782509 EG Annotated Mild CC(C)CCN1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000022852911 EG Annotated Anodyne CNC1CN([C@@H]2c3ccccc3CSc3ccc(OC)cc32)C1 ZINC000022861929 EG Annotated Anodyne CNC1CN([C@H]2c3ccccc3CSc3ccc(OC)cc32)C1 ZINC000022861932 EG Annotated Anodyne CN1CCN(Cc2ccc(C(=S)Nc3ccccc3)s2)CC1 ZINC000022873499 EG Annotated Anodyne CC(C)=CCN1CCN(Cc2nc(C(C)C)cs2)C[C@H]1CCO ZINC000022909971 EG Annotated Anodyne CCN(CC)[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(OC)c(F)c2)C1 ZINC000022910542 EG Annotated Anodyne CCN(CC)[C@H]1CCN(Cc2c[nH]nc2-c2ccc(OC)c(F)c2)C1 ZINC000022910545 EG Annotated Anodyne Cc1c(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)[nH]c2ccccc12 ZINC000022913340 EG Annotated Anodyne OCC[C@@H]1CN(C2C3CC4CC(C3)CC2C4)CCN1C1CCCC1 ZINC000022913695 EG Annotated Anodyne CCN1CCN([C@@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 ZINC000022925243 EG Annotated Anodyne CCN1CCN([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 ZINC000022925248 EG Annotated Anodyne CC(C)=CCN1CCN(Cc2nc(C(C)C)cs2)C[C@@H]1CCO ZINC000022932608 EG Annotated Anodyne OCC[C@@H]1CN(Cc2c(F)cccc2Cl)CCN1C1CCCC1 ZINC000022932895 EG Annotated Anodyne OCC[C@H]1CN(Cc2c(F)cccc2Cl)CCN1C1CCCC1 ZINC000022932896 EG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CN(C)CCO3)cc12 ZINC000226048823 EG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CN(C)CCO3)cc12 ZINC000226048835 EG Annotated Anodyne COc1cc(F)ccc1-c1ccnc2[nH]c([C@@H]3CN(C)CCO3)cc12 ZINC000226055477 EG Annotated Anodyne COc1cc(F)ccc1-c1ccnc2[nH]c([C@H]3CN(C)CCO3)cc12 ZINC000226055492 EG Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(F)cc2)cc1 ZINC000226682897 EG Annotated Anodyne O=c1cc([C@@H]2CCCNC2)nc(Cc2c(Cl)cccc2Cl)[nH]1 ZINC000023128577 EG Annotated Anodyne O=c1cc([C@H]2CCCNC2)nc(Cc2c(Cl)cccc2Cl)[nH]1 ZINC000023128578 EG Annotated Anodyne Cc1ccc2c(C)c(C(=O)NCC(C)(C)N3CCOCC3)oc2c1C ZINC000023129856 EG Annotated Anodyne c1ccc(Cc2cn(C3CCN(Cc4nccs4)CC3)nn2)cc1 ZINC000023153304 EG Annotated Anodyne CCC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)nc3C)c2C1 ZINC000023153322 EG Annotated Anodyne CN(C/C=C/c1ccccc1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000023192607 EG Annotated Anodyne CCOc1ccccc1-c1[nH]nc2c1CN(Cc1nccs1)CC2 ZINC000023192721 EG Annotated Anodyne c1ccc(-n2nccc2CN2CCC(n3cc(C4CC4)nn3)CC2)cc1 ZINC000023214884 EG Annotated Anodyne CCCCn1nnnc1NC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000023250734 EG Annotated Anodyne CCCCn1nnnc1NC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000023250737 EG Annotated Anodyne Cc1ccc(-c2cn(C3CCN(Cc4nc[nH]c4C)CC3)nn2)cc1 ZINC000023251522 EG Annotated Anodyne O=c1c(CN(CCO)Cc2ccccc2)coc2ccc(Cl)cc12 ZINC000023282177 EG Annotated Anodyne CC(C)Cc1n[nH]c(/N=C(\O)N(C)Cc2cnc3ccccc3c2)n1 ZINC000023311538 EG Annotated Mild O=C(Nc1ccc2c(c1)OCCO2)c1ccc([C@@H]2CCCN2)s1 ZINC000023337499 EG Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)c1ccc([C@H]2CCCN2)s1 ZINC000023337501 EG Annotated Anodyne CCOC(=O)N1CCC(N2CCO[C@@H](CC3CCCCC3)C2)CC1 ZINC000023337662 EG Annotated Anodyne CCOC(=O)N1CCC(N2CCO[C@H](CC3CCCCC3)C2)CC1 ZINC000023337664 EG Annotated Anodyne OCc1ccc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)o1 ZINC000023339313 EG Annotated Anodyne COCCN1CCC[C@@]2(CCN(C/C=C/c3ccc(F)cc3)C2)C1 ZINC000023368559 EG Annotated Anodyne COCCN1CCC[C@]2(CCN(C/C=C/c3ccc(F)cc3)C2)C1 ZINC000023368563 EG Annotated Anodyne COC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000023380111 EG Annotated Anodyne O/C(=N\c1nc(C2CCCCC2)n[nH]1)N1CCOC2(CCCC2)C1 ZINC000023429281 EG Annotated Mild CN1CCC(c2cc(=O)[nH]c(C34CC5CC(CC(C5)C3)C4)n2)CC1 ZINC000023429588 EG Annotated Anodyne Cc1cnc(NCc2nc3c(s2)CCCC3)nc1-c1cnn(C)c1 ZINC000023430292 EG Annotated Anodyne COc1ccc(-c2cccc(-c3ccn(Cc4cc(C)on4)n3)c2)nn1 ZINC000023430605 EG Annotated Anodyne C/C=C1\[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000230067543 EG Annotated Anodyne in-man endogenous CC[C@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000230067557 EG Annotated Anodyne in-man CC[C@@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000230067564 EG Annotated Anodyne in-man endogenous COc1ccc([C@H](O[C@H](C)[C@H](O)c2ccc(OC)cc2)[C@@H](C)O)cc1 ZINC000230086057 EG Annotated Anodyne in-man COc1ccc([C@H](O[C@H](C)[C@@H](O)c2ccc(OC)cc2)[C@@H](C)O)cc1 ZINC000230086062 EG Annotated Anodyne in-man COc1ccc([C@H](O)[C@H](C)O[C@@H](c2ccc(OC)cc2)[C@@H](C)O)cc1 ZINC000230086070 EG Annotated Anodyne in-man C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000230086670 EG Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088063 EG Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088073 EG Annotated Mild in-man C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@@H]2[C@H]1CC(=O)[C@H]2[C@@H](C)O ZINC000230095937 EG Annotated Mild in-man C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@H]2[C@@H](C)O ZINC000230095943 EG Annotated Mild in-man CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2N ZINC000230104427 EG Annotated Clean in-man CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2N ZINC000230104435 EG Annotated Clean in-man OC1CC([C@@H](NC2CCC3(CCNCC3)CC2)c2ccccc2)C1 ZINC000230470658 EG Annotated Anodyne Cc1nc(N[C@@H](Cc2ccccn2)C2CC(O)C2)c2ccsc2n1 ZINC000230512895 EG Annotated Anodyne CC(C)c1cc(C(=O)N[C@H](Cc2ccncc2)C2CC(O)C2)cs1 ZINC000230564898 EG Annotated Anodyne COc1ccccc1CNc1cc(C2CC2)nc(-c2nccn2C)n1 ZINC000230566168 EG Annotated Anodyne COc1ccc(CNc2cc(C3CC3)nc(-c3nccn3C)n2)cc1 ZINC000230566201 EG Annotated Anodyne Cn1cncc1CN1CCC2(CC1)CO[C@@H](Cc1ccccc1)C2 ZINC000230566678 EG Annotated Anodyne Cn1cncc1CN1CCC2(CC1)CO[C@H](Cc1ccccc1)C2 ZINC000230566694 EG Annotated Anodyne OC1CC([C@@H](NC2CCN(Cc3ccco3)CC2)c2cccs2)C1 ZINC000230588778 EG Annotated Anodyne CC(C)COC(=O)c1cccc(C(=O)OCCc2ccccc2)n1 ZINC000231217056 EG Annotated Anodyne in-vitro N#CC1(C#N)c2c([nH]c3ccccc23)O[C@@H]2c3ccccc3C(=O)[C@@H]21 ZINC000231376711 EG Annotated Mild N#CC1(C#N)c2c([nH]c3ccccc23)O[C@H]2c3ccccc3C(=O)[C@@H]21 ZINC000231376736 EG Annotated Mild N#CC1(C#N)c2c([nH]c3ccccc23)O[C@@H]2c3ccccc3C(=O)[C@H]21 ZINC000231376766 EG Annotated Mild N#CC1(C#N)c2c([nH]c3ccccc23)O[C@H]2c3ccccc3C(=O)[C@H]21 ZINC000231376796 EG Annotated Mild CC/C=C\C[C@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 ZINC000231931090 EG Annotated Anodyne CC/C=C\C[C@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000231931094 EG Annotated Anodyne CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1 ZINC000231931097 EG Annotated Anodyne Oc1cc(CCc2cc(Cl)no2)nc2nc(C3CCCCC3)nn12 ZINC000023542729 EG Annotated Anodyne Cc1cnc(NCCN2CCCc3ccccc32)nc1-c1cnn(C)c1 ZINC000023580567 EG Annotated Anodyne O=c1cc(N2CCCC2)cnn1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000023581078 EG Annotated Anodyne O=C1CCCc2occ(-c3cc(O)n4nc(-c5ccccc5)nc4n3)c21 ZINC000023581188 EG Annotated Anodyne Cc1ccc([C@@H](C)NC(=O)Nc2nnc(-c3ccco3)s2)cn1 ZINC000023581328 EG Annotated Anodyne Cc1ccc([C@H](C)NC(=O)Nc2nnc(-c3ccco3)s2)cn1 ZINC000023581329 EG Annotated Anodyne Cc1ncsc1CCN(C)/C(O)=N/c1nc(C2CCCCC2)n[nH]1 ZINC000023581413 EG Annotated Mild CCCNC(=O)N1CCC(n2cc(-c3ccccc3Cl)nn2)CC1 ZINC000023581557 EG Annotated Anodyne Cc1noc(C)c1CCC(=O)N1CCc2[nH]nc(CCC(C)C)c2C1 ZINC000023619306 EG Annotated Anodyne O=C(Nc1cccs1)N1CCC(Cn2cc(C3CC3)nn2)CC1 ZINC000023619628 EG Annotated Anodyne Cc1ccc(CCNC(=O)Nc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000023619706 EG Annotated Anodyne OC1(c2cn(CC3CCN(Cc4ccsc4)CC3)nn2)CCCC1 ZINC000023620193 EG Annotated Anodyne CC(C)[C@H]1/C=C/[C@@](C)(O)CC(=O)C[C@@]2(C)CC[C@@H](O2)[C@](C)(O)CC1 ZINC000238730695 EG Annotated Anodyne CC(=O)O/C=C(\C)C1=C[C@@]2(C)C(=CC1=O)[C@H](OC(C)=O)CC[C@@H]2C ZINC000238730895 EG Annotated Mild COc1c2c(cc3c1CCCN1CCC4=CC[C@H](OC)C[C@]431)CC2 ZINC000238731014 EG Annotated Anodyne COC(=O)[C@]1(C)C[C@H](O)C[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@H]21 ZINC000238731123 EG Annotated Anodyne C[C@]12C[C@@H](c3ccoc3)OC=C1C(=O)C[C@@]13COC(=O)C1=CCC[C@@H]32 ZINC000238731274 EG Annotated Mild CC1=C[C@@H](O)C[C@@H]2[C@@]1(C)C(=O)C[C@@H](C)[C@@]2(C)CCC1=CC(=O)OC1 ZINC000238731474 EG Annotated Anodyne C=C[C@](C)(O)CC/C=C(\C)C[C@@H](/C=C(/C)COC(C)=O)OC(C)=O ZINC000238731512 EG Annotated Mild CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@@]12C(=C(C)C)C(=O)C[C@H]2C ZINC000238731647 EG Annotated Mild C[n+]1c(N)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000238731670 EG Annotated Bother C=C(C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)OC ZINC000238731732 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H](O)[C@@H]1C3 ZINC000238731785 EG Annotated Mild CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000238732042 EG Annotated Anodyne C=C1[C@H]2CC[C@@]3([C@@H](O)C[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]3C2)[C@H]1O ZINC000238732062 EG Annotated Mild COc1cc2c3c(c1O)[C@H]([C@@H]1C=CC(=O)CC1)CC[C@H]3N(C)CC2 ZINC000238732294 EG Annotated Mild CC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@@H]2[C@H]1C[C@@H](O)[C@@H]2O ZINC000238732339 EG Annotated Anodyne C=C1C(=O)O[C@@H]2C/C(C)=C\C/C=C(\C)[C@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238732432 EG Annotated Mild CC1=C2[C@H](C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C(=O)CC[C@]53C)O[C@H]24)OC1=O ZINC000238732633 EG Annotated Anodyne COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@@H](C2)C[N+](C)(C)C3 ZINC000238732662 EG Annotated Bother C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]21)[C@]1(CO)O[C@H]31 ZINC000238732731 EG Annotated Anodyne C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@H]2C[C@@H]2/C=C(\C)C(=O)OC)CC1=O ZINC000238732765 EG Annotated Mild C=C1[C@H](OC(=O)C=C(C)C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 ZINC000238733092 EG Annotated Mild C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@@H]1O2 ZINC000238733116 EG Annotated Mild COc1cc2c(cc1OC)[C@]13C[C@@H](OC)CC[C@H]1CCN3CCC2 ZINC000238733131 EG Annotated Anodyne CC(C)=C/C=C1/O[C@H]2CC(C)=CC(=O)[C@@]2(OC(=O)CC(C)C)[C@@]1(C)O ZINC000238733248 EG Annotated Mild CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](C2=O)C(=O)C(C)(C)[C@H]1C=O ZINC000238733276 EG Annotated Mild CCc1ccc2c(O)c3c(c(O)c2c1)C(=O)[C@@H]1C=CC=C(O)[C@@H]1C3=O ZINC000238733308 EG Annotated Clean C[C@@H]1CC[C@H]2[C@H](C[C@@H]3C[C@@]2(O)C2=CC(=O)[C@H]4CCCC[C@@H]4[C@H]23)N1C ZINC000238733401 EG Annotated Mild CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12[C@H]1O[C@@H]31 ZINC000238733412 EG Annotated Anodyne Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CC[C@H](OC(=O)C(C)C)[C@H]1C2=O ZINC000238734137 EG Annotated Anodyne C[C@@]1([C@H](O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)/C(=C\O)[C@]3(C)CC[C@@H]2C1 ZINC000238734139 EG Annotated Mild C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CC(=O)C[C@@](C)(O)CC[C@@H]1O ZINC000238734183 EG Annotated Mild CC(C)(O)CCC[C@H]1C(=O)CC[C@H]2C[C@@](C)([C@H](O)CO)CC[C@@]21C ZINC000238734204 EG Annotated Anodyne CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)C[C@@H](O)C[C@@]3(C)C2=C(O)C1=O ZINC000238734620 EG Annotated Mild C=CC1=C2C(=O)CC[C@@H]3CN4C[C@@H](C)[C@H]5C[C@@H]4[C@]3(C)[C@]2(CC1)C5=O ZINC000238734678 EG Annotated Mild C=C1[C@@H]2CC(=O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000238734832 EG Annotated Mild COc1cc2nc3occc3c(OC)c2c2c1CO[C@@H]2C(C)(C)O ZINC000238734838 EG Annotated Anodyne C=C1[C@H]2CC[C@]3(O)[C@H]4C[C@H]5[C@@]6(C(=O)CC[C@@]5(C)CN(CC)[C@H]46)[C@H](C2)[C@H]13 ZINC000238734869 EG Annotated Mild COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@]45C[C@@]3(CC[C@H]12)C[C@@]4(O)CO5 ZINC000238735062 EG Annotated Anodyne C=C(C)[C@H]1CC2=C(C)C(=O)[C@H](O)[C@@H]2[C@H](C)C[C@H]1OC(=O)CC(C)C ZINC000238735127 EG Annotated Mild CC[C@@H]1C[C@@H]2N3CCc4c([nH]c5ccccc45)[C@]2(C(=O)OC)C[C@@H]1C3 ZINC000238735252 EG Annotated Anodyne C=C(C)[C@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@H]1OC(=O)/C(C)=C\C ZINC000238735258 EG Annotated Mild CC(C)=C[C@H](O)C/C(=C/COc1cc(=O)oc2cccc(C)c12)CO ZINC000238735385 EG Annotated Anodyne CCCC(=O)O[C@H]1CCC2=CC(=O)C([C@@H](C)C(=O)O)=C[C@]2(C)[C@H]1C ZINC000238735401 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@]24O[C@H]4[C@@H]1CC3 ZINC000238735530 EG Annotated Mild C=C(C)[C@H]1Oc2ccc(C(C)=O)cc2[C@@H]1OC(=O)C[C@](C)(O)CC ZINC000238735609 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC2=C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1 ZINC000238735641 EG Annotated Anodyne C/C(=C\COc1cc(=O)oc2cccc(C)c12)[C@H]1C[C@@H](O)C(C)(C)O1 ZINC000238735764 EG Annotated Anodyne CC[C@@H](C)C(=O)O[C@]12O[C@H]1C[C@]1(C)Cc3occ(C)c3C[C@H]1[C@]2(C)O ZINC000238735804 EG Annotated Anodyne CC1=C2[C@@H](C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C(=O)CC[C@]53C)O[C@H]24)OC1=O ZINC000238736044 EG Annotated Anodyne C=C1C(=O)O[C@@H]2C/C(C)=C/CC[C@@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 ZINC000238736251 EG Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@]2(O)C1 ZINC000238736452 EG Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC2=C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1 ZINC000238736472 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CCC[C@H](C)[C@]21C ZINC000238736525 EG Annotated Anodyne CN1CC[C@]23c4ccccc4N[C@@H]4N(C)CC[C@@]42c2ccccc2N[C@H]13 ZINC000238736547 EG Annotated Anodyne C[C@H]1C(=O)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CCC1=CC(=O)OC1 ZINC000238736548 EG Annotated Anodyne COc1cc2c(cc1OC)Oc1c(O)ccc(CCN(C)C)c1CC2 ZINC000238736579 EG Annotated Anodyne C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@H]15 ZINC000238736611 EG Annotated Mild C=C[C@]1(C)CC[C@]2(C)[C@H](C1)C(=O)[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]12OC3=O ZINC000238736617 EG Annotated Mild C[N+]1=Cc2c(ccc3c2OCO3)[C@@H]2C=Cc3cc4c(cc3[C@@H]21)OCO4 ZINC000238736786 EG Annotated Anodyne C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O ZINC000238737087 EG Annotated Anodyne C/C=C1/CN2C[C@H]3c4c([nH]c5ccc(O)cc45)[C@@H]2C[C@@H]1[C@@H]3C(=O)OC ZINC000238737264 EG Annotated Anodyne CC(C)[C@]12/C=C/[C@](C)(O)C/C=C/[C@](C)(O)CC/C=C(\CC1)C(=O)O2 ZINC000238737468 EG Annotated Anodyne C/C(=C\C[C@@H](O)/C(C)=C/CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000238737599 EG Annotated Anodyne Cc1nc2c(c(-c3ccccc3C(F)(F)F)c1C(=O)O)C(=O)OC2 ZINC000238737617 EG Annotated Anodyne CC(C)=C[C@@H]1OC(=O)/C(=C/CC/C(C)=C\CCC2=CC(=O)OC2)[C@@H]1O ZINC000238737723 EG Annotated Anodyne C=C1C[C@]23CC[C@@]1(O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238737798 EG Annotated Mild C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000238738027 EG Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]3C=C4OC(=O)C(CO)=C4[C@@H]4O[C@@]43CC[C@H]12 ZINC000238738060 EG Annotated Anodyne C=C1C(=O)O[C@H]2C[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H](OC(=O)C=C(C)C)[C@H]12 ZINC000238738086 EG Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O ZINC000238738112 EG Annotated Mild C[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238738135 EG Annotated Anodyne C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12 ZINC000238738138 EG Annotated Mild CC(C)C1=CC2=C[C@@H](O)[C@@H]3C(C)(C)C[C@@H](O)C[C@@]3(C)C2=C(O)C1=O ZINC000238738272 EG Annotated Mild C[C@@]12C[C@@H](c3ccoc3)OC(=O)C1=CC[C@@]1(C)[C@@H]2[C@@H]2C=C[C@H]1C(=O)O2 ZINC000238738693 EG Annotated Anodyne C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CC(=O)C[C@](C)(O)CC[C@@H]1O ZINC000238738747 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@]23C[C@H]2[C@@H](C[C@@H](C)[C@H]13)OC(=O)[C@@H]2C ZINC000238738817 EG Annotated Anodyne C=C(C)[C@H]1C[C@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000238738818 EG Annotated Mild C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000238738819 EG Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)[C@H]4COC(=O)[C@@]4(O)C(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000238738956 EG Annotated Mild COc1ccc(C(=O)O[C@H](C(C)C)[C@@H]2C=C(C)[C@]3(O)C[C@]23C)cc1O ZINC000238739185 EG Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1C2=C(C(=O)O[C@@H]2O)[C@H]2C[C@H]2[C@H](C)C[C@H]1O ZINC000238739401 EG Annotated Anodyne C/C(=C/CO)CC/C=C(\CO)CC/C=C(\C)CCC(=O)C(C)(C)O ZINC000238739825 EG Annotated Anodyne C[C@@]12[C@@H](O)CC[C@@](C)(CO)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 ZINC000238739895 EG Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238740151 EG Annotated Mild CC(C)=CC(=O)O[C@@H]1C[C@H](O)[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238740294 EG Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1OC=C2[C@@H]3C[C@@H]4C[C@]25[C@@H]1CC[C@H]5[C@]4(C)C(=O)O3 ZINC000238740436 EG Annotated Anodyne C=C1C[C@]2(C(=O)O)C[C@H]1CC[C@@]2(C)[C@H]1CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 ZINC000238740740 EG Annotated Reactive CC[C@@H]1C[C@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@@H]24 ZINC000238740906 EG Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)O[C@@H]1O ZINC000238740930 EG Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4C(=O)[C@@H]3CC[C@@]12O ZINC000238741033 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@]3(C)CC[C@H]21 ZINC000238741088 EG Annotated Mild C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@H](O)C[C@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000238741334 EG Annotated Mild C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@H]1CC2 ZINC000238741343 EG Annotated Clean CC1(C)CCc2c(cc3oc4c(O)c(O)ccc4c(=O)c3c2O)O1 ZINC000238741365 EG Annotated Clean COc1c2c(nc3occc13)C(=N)C[C@H]1C(C)(C)CC(=O)[C@@]21OC ZINC000238741535 EG Annotated Anodyne C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CC[C@@H](O)[C@H](C)[C@]21C ZINC000238741590 EG Annotated Mild C=C[C@@H](O)C#CC#CC[C@@H](O)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)CC ZINC000238741598 EG Annotated Mild COc1ccc2c(c1)-c1c(OC)cccc1[C@H]1[C@@H]2[C@H](O)CCN1C ZINC000238741722 EG Annotated Anodyne C=C/C(C)=C1\O[C@]2(C)CC[C@@]3(O)C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O ZINC000238741852 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@H]12 ZINC000238741853 EG Annotated Anodyne Cc1occc1[C@]1(C)CC[C@H]2[C@@H](CC=C3C[C@@H](O)[C@H](O)C[C@@]32C)C1=O ZINC000238741974 EG Annotated Anodyne CC(C)c1cc(C=O)c2c(c1O)O[C@H](O)[C@H]1C(C)(C)C[C@H](O)C[C@]21C ZINC000238742041 EG Annotated Anodyne CC(C)=CC(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21 ZINC000238742144 EG Annotated Mild C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@@H](O)C1=O ZINC000238742166 EG Annotated Mild C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)COC(=O)[C@@H]12 ZINC000238742366 EG Annotated Mild C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)C=C(C)C)[C@@H]1O ZINC000238742468 EG Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@@](C)(O)[C@@]13C ZINC000238742681 EG Annotated Anodyne CC[C@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H](O)[C@@H](O)C[C@H]12 ZINC000238742881 EG Annotated Anodyne C[C@H]1CO[C@]2(C)OC3=C(C[C@H]12)C(=O)C1=C(C3)O[C@@]2(C)OC[C@H](C)[C@H]2C1 ZINC000238743101 EG Annotated Mild C[C@H]1C[C@@H]2OC(=O)[C@@]3(O)C=CC[C@H]([C@@]23C)[C@]1(C)CCc1ccoc1 ZINC000238743360 EG Annotated Anodyne CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)[C@H](OC(=O)CC(C)C)C[C@@H](O)C3(C)C ZINC000238743448 EG Annotated Mild C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 ZINC000238743550 EG Annotated Clean C[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@@H]3O[C@@]32C)[C@]1(C)CCC1=CC(=O)OC1 ZINC000238743558 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4OC[C@]5(O)C[C@@]3(CC[C@H]12)C[C@H]45 ZINC000238743583 EG Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C/C=C/[C@@](C)(O)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 ZINC000238743620 EG Annotated Mild C=C1CC[C@@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000238743768 EG Annotated Mild CC(=O)O[C@@H]1CC[C@@H](C)[C@]2(C)[C@@H](OC(C)=O)c3c(C)coc3C(=O)[C@@H]12 ZINC000238743828 EG Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238743864 EG Annotated Mild CC(C)[C@]1(O)CC2=CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1O ZINC000238743997 EG Annotated Anodyne C/C=C(\C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 ZINC000238744049 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(C)C[C@@]3(C(=O)OC=C3C)[C@@H](O)[C@@H]2C1 ZINC000238744072 EG Annotated Anodyne C=C[C@@H]1[C@@H](C(=O)OC)CC[C@@H]2[C@H]1CC[C@@H]1C(C)(C)[C@H](O)C(=O)C[C@@]12C ZINC000238744250 EG Annotated Mild CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H](C3=C(O)C(=O)OC3)C[C@@H]12 ZINC000238744416 EG Annotated Reactive COc1c(O)c(CC=C(C)C)cc2c1O[C@H]1C=CC(O)=C(O)[C@@H]1C2=O ZINC000238744549 EG 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]2C[C@H]1O ZINC000238744552 EG Annotated Mild CC[C@@]12CCc3[nH]c4c(OC)cccc4c3CCN(C[C@H]3O[C@H]31)C2 ZINC000238744706 EG Annotated Anodyne C=C1CC/C=C(/COC(=O)[C@H](C)CC)C(=O)C[C@@H]2[C@@H]1C[C@@]2(C)CO ZINC000238744707 EG Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C=C(C)CC[C@@]23OC(=O)[C@H](C)[C@@H]2CC(=O)[C@]13C ZINC000238744745 EG Annotated Anodyne C=C1CC[C@@H]2O[C@]2(COC(=O)/C(C)=C\C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C ZINC000238744843 EG Annotated Mild C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)CO[C@H](O)[C@@H]12 ZINC000238744897 EG Annotated Mild C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C ZINC000238744916 EG Annotated Mild C[C@@]12OC[C@H]3OC4=C5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]4(CO1)[C@H]32 ZINC000238745003 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3C[C@@H](/C(C=O)=C/C(=O)O)O[C@@]3(C)CC(=O)[C@H]12 ZINC000238745034 EG Annotated Reactive CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]4(C)[C@H]3CC[C@]2(C)C1 ZINC000238745063 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@H](O)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C ZINC000238745137 EG Annotated Mild C[C@@H](CCc1ccc2c(=O)c3c(O)cccc3oc2c1O)C(=O)O ZINC000238745228 EG Annotated Bother CCO[C@@H]1CN2CCc3c([nH]c4ccccc34)CC[C@]3(CCO[C@H]13)C2 ZINC000238745311 EG Annotated Anodyne Cc1c2ccc3c(c2c[n+]2ccc4cc5c(cc4c12)OCO5)OCO3 ZINC000238745333 EG Annotated Clean CC(=O)O[C@H]1CC[C@@]23O[C@@H]2CC[C@H](C)[C@@]3(C)/C=C(\C)[C@H]1OC(C)=O ZINC000238745682 EG Annotated Anodyne C[C@@]12CC(=O)c3occc3[C@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(CO)C1)[C@H]32 ZINC000238745771 EG Annotated Anodyne CN1CC[C@@]23c4ccccc4N[C@@H]4N(C)CC[C@]42c2ccccc2N[C@H]13 ZINC000238746314 EG Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238746370 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 ZINC000238746393 EG Annotated Mild C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@]1(C)CCC1=C[C@H](O)OC1=O ZINC000238746399 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 ZINC000238746402 EG Annotated Mild C[C@H]1C(=O)[C@@]23CC[C@H]4[C@@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238746429 EG Annotated Anodyne CC(C)=CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)CC[C@H]21 ZINC000238746516 EG Annotated Mild C/C(C=O)=C\CC/C(C)=C/CC/C(=C/CC/C(=C\CO)CO)CO ZINC000238746621 EG Annotated Reactive C=C1CC/C=C(\C(=O)O)C[C@@H](OC(C)=O)CC(C)(C)C[C@@H]1OO ZINC000238746664 EG Annotated Reactive C/C=C(/C)C(=O)Oc1ccc(OC(=O)[C@@]2(C)O[C@@H]2C)c([C@H]2O[C@@H]2C)c1 ZINC000238746665 EG Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CC[C@H]4O[C@]5(c6ccoc6)C[C@]1(C)[C@]4(O5)[C@]23C ZINC000238746668 EG Annotated Anodyne CC(C)[C@]1(O)/C=C/[C@](C)(O)CC/C=C2/CC[C@H](O)[C@@](C)(CC1)OC2 ZINC000238746709 EG Annotated Anodyne CC(C)CC(=O)OC[C@@]1(c2ccccc2OC(=O)CC(C)C)CO1 ZINC000238746763 EG Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238746908 EG Annotated Mild CC1(C)O[C@]2(C)[C@H](C[C@@H]1Br)O[C@]1(C)C[C@H]3O[C@@H]1C[C@H]32 ZINC000238747210 EG Annotated Reactive COC(=O)C1=CCC[C@H]2[C@@H]1CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@H]12 ZINC000238747276 EG Annotated Anodyne CCCCCC[C@@H](C)/C=C(\C)[C@H]1OC(=O)C(/C=C/C(=O)O)=C[C@@H]1O ZINC000238747336 EG Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)[C@H](C)CC)[C@H]12 ZINC000238747405 EG Annotated Mild C[C@]12C[C@H](c3ccoc3)OC=C1C(=O)C[C@@]13COC(=O)C1=CCC[C@@H]32 ZINC000238747664 EG Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)[C@H](C)CC)[C@@]1(C)O[C@@H]21 ZINC000238747692 EG Annotated Mild CC(C)=CCC/C(=C/CC/C(=C/CC/C(=C\CO)CO)CO)CO ZINC000238747727 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C)=C/C/C=C(/COC(=O)[C@H](C)CC)[C@H](O)C[C@H]12 ZINC000238747843 EG Annotated Mild C=C1C[C@]23C[C@H]1CC(=O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238747846 EG Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@H]31 ZINC000238747928 EG Annotated Anodyne C/C(=C/CO)CC/C=C(\CO)CC/C=C(\CO)CC/C=C(\C)CO ZINC000238747930 EG Annotated Anodyne C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CC=O)C5)[C@@H]3C2)[C@@H]1O ZINC000238747956 EG Annotated Mild C/C(=C\CC[C@@]1(CO)[C@H]2CC[C@@H](C)[C@H]3CC=C(CO)[C@@H]1[C@@H]23)C(=O)O ZINC000238747972 EG Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)O[C@]23C[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@H]13 ZINC000238748043 EG Annotated Anodyne CC(C)=CC[C@@H](O)/C(=C/COc1cc(=O)oc2cccc(C)c12)CO ZINC000238748060 EG Annotated Anodyne C[C@H]1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 ZINC000238748064 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2C[C@@H](O)[C@H](C)[C@@]13C ZINC000238748256 EG Annotated Anodyne C=C1[C@H]2CC3=C(COC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@]2(C)[C@H]2C[C@@H]12 ZINC000238748549 EG Annotated Mild C=C(C)[C@H](O)CC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO ZINC000238748571 EG Annotated Mild C/C=C(\C)C(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C ZINC000238748592 EG Annotated Mild C=C1C(=O)C(O)=C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)CO)CC[C@@]12C ZINC000238748673 EG Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000238748932 EG Annotated Mild COC(=O)C1=CNC=C2[C@@H]1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@@H]2C ZINC000238749182 EG Annotated Anodyne COc1ccc(C[C@]2(C)C(=O)Oc3cc(OC)cc(OC)c32)cc1 ZINC000238749332 EG Annotated Anodyne C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CC[C@H](O)[C@H](C)[C@]21C ZINC000238749519 EG Annotated Mild C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@@]1(O)[C@@H]1OC1(C)C ZINC000238749660 EG Annotated Mild CC(C)c1cc(C=O)c2c(c1O)O[C@@H]1O[C@H](O)[C@H]3C(C)(C)CCC[C@]231 ZINC000238749677 EG Annotated Anodyne C[C@H]1[C@H]2C[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000238749854 EG Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)CC(C)C)[C@H]12 ZINC000238749873 EG Annotated Mild C[C@]12C[C@]34C[C@H]1C[C@H](O2)[C@H]3[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]4O ZINC000238750037 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]1[C@@H](O)C=C(O)[C@]21CC[C@@](C)(CC(=O)O)O1 ZINC000238750041 EG Annotated Anodyne C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O ZINC000238750052 EG Annotated Mild C[C@@]12[C@H]3CC[C@]4(C)C[C@H]5CC(=O)O[C@H]5[C@H]4[C@@H]3CC[C@@H]1C[C@H]1NC[C@@H]2O1 ZINC000238750077 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)[C@]3(C[C@]2(C)[C@H]1C)C(=O)OC=C3C ZINC000238750138 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C=C(C)CC[C@]23OC(=O)[C@@H](C)[C@H]2CC(=O)[C@]13C ZINC000238750154 EG Annotated Anodyne COc1cc(CC/C=C/C=C/C(=O)NCC(C)C)cc2c1OCO2 ZINC000238750159 EG Annotated Anodyne C[C@@]12CCC(=O)[C@]3(C)C(=O)O[C@H](C(=O)C=C1CCc1ccoc1)[C@]23C ZINC000238750376 EG Annotated Mild C/C(=C/C/C=C(\C)CO)[C@H]1CC[C@@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@H]3O ZINC000238750463 EG Annotated Mild COc1cc([C@@H]2Oc3c(O)ccc(C(C)=O)c3[C@H]2C)cc(O)c1O ZINC000238750692 EG Annotated Clean O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c3c(cc(O)c21)C=CCCO3 ZINC000238750832 EG Annotated Clean C=C1CC[C@@H]2CC[C@H]3C(=O)N/C(=C\[C@@H](C)CC(=O)C1)[C@@]3(O)C2(C)C ZINC000238750947 EG Annotated Mild C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O ZINC000238750991 EG Annotated Mild C1=C2CCCN3CN4CCCC[C@@H]4[C@@]4(C[C@@H]1[C@H]1CCCCN1C4)[C@@H]23 ZINC000238751001 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238751018 EG Annotated Anodyne C[C@@]12OC[C@H]3OC4=C5CC=C6C[C@H](O)CC[C@]6(C)[C@@H]5CC[C@]4(CO1)[C@H]32 ZINC000238751023 EG Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O ZINC000238751247 EG Annotated Mild CC/C=C\C[C@@H](O)/C=C/[C@H](O)[C@H]1C[C@@H]1[C@@H]1C/C=C\CCCC(=O)O1 ZINC000238751290 EG Annotated Anodyne C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H](O)/C(C)=C/CC/C(C)=C/C[C@@H]2O ZINC000238751315 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@]23C[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@H]13 ZINC000238751685 EG Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/C[C@H]12 ZINC000238751941 EG Annotated Mild C[C@H]1CC=C2C(=O)[C@@H]3O[C@@]3(C)CC[C@H]3O[C@]3(C)CC[C@@]1(C)[C@]2(C)O ZINC000238752005 EG Annotated Mild C/C=C/c1cc(=O)c([C@@]2(C)OC(=O)c3cc(OC)cc(OC)c32)co1 ZINC000238752034 EG Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000238752091 EG Annotated Mild CC(=O)C1=COC[C@H]2[C@H]1C[C@@H]1c3c(c4ccccc4n3C)C[C@H]2N1C ZINC000238752220 EG Annotated Mild CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C\C3=C[C@@](C)(O)C[C@]3(O2)C1=O ZINC000238752244 EG Annotated Mild COc1cc2c(cc1O)C[C@]1(C)NCCc3cc(OC)c(OC)c-2c31 ZINC000238752299 EG Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=C[C@H]1CCN3CCC2 ZINC000238752442 EG Annotated Anodyne C=C1C[C@@]23COC(=O)C2=CCC[C@@H]3C[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238752452 EG Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@]1(C)O ZINC000238752798 EG Annotated Anodyne C=C1C[C@]23CC(=O)[C@@H]4[C@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@H]15 ZINC000238753038 EG Annotated Mild COC(=O)/C=C(/CO)CC[C@@H]1[C@H](O)C=C[C@@H]2C(C)(C)CCC[C@@]12C ZINC000238753071 EG Annotated Anodyne CN1CC[C@]23c4ccccc4N=C1[C@]21CCN(C)[C@H]3Nc2ccccc21 ZINC000238753215 EG Annotated Anodyne C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]1(C)[C@@H]3C=C[C@@H](OC3=O)[C@@H]21 ZINC000238753296 EG Annotated Anodyne CC1=C[C@@H](C/C(C)=C/COc2cc(O)cc3oc(=O)ccc23)OC1=O ZINC000238753390 EG Annotated Anodyne COc1cc(OC)cc(Oc2c(OC)cc(OC)cc2OC(C)=O)c1 ZINC000238753454 EG Annotated Anodyne COc1cc2c3c(c1OC)[C@]1(C=CC(=O)CC1)CC[C@H]3N(C)CC2 ZINC000238753766 EG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000238753806 EG Annotated Mild CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)CC(C)C)C1 ZINC000238753906 EG Annotated Anodyne CC[C@]1(C)CC[C@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000238754176 EG Annotated Anodyne CC(=O)OC/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/CC/C(C)=C/CO ZINC000238754200 EG Annotated Anodyne COC(=O)C1=CNC=C2[C@@H]1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@H]2C ZINC000238754297 EG Annotated Anodyne CO[C@H]1C[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@@]2(C)[C@@H](O)C=C1C=O ZINC000238754434 EG Annotated Reactive C=C1C(=O)O[C@@H]2/C=C(\C)C/C=C/[C@](C)(O)CC[C@H]3O[C@@]3(C)CC[C@H]12 ZINC000238754588 EG Annotated Mild CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=C[C@@H](O)OC1=O ZINC000238754616 EG Annotated Anodyne COc1ccc2c(=O)c3c(oc2c1)-c1cc(OC)c(OC)cc1CO3 ZINC000238754642 EG Annotated Anodyne C/C=C(\C=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C1=C\O ZINC000238754812 EG Annotated Reactive C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C/C)[C@@H]1O ZINC000238754881 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238754939 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=CC[C@]2(C)[C@@H]1[C@](O)(C(C)C)C[C@H]2O ZINC000238755090 EG Annotated Anodyne C=C1CCC[C@@]2(C)CC[C@@]3(O)O[C@@]12[C@@H](O)[C@@]3(C)CCC(=O)C(C)C ZINC000238755114 EG Annotated Mild CC1=C2CC/C(C)=C\CC[C@@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](C2=O)[C@@H]1O ZINC000238755207 EG Annotated Mild C=CC[C@@]1(OC)C=C2C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238755229 EG Annotated Mild COc1cc(OC)cc(Oc2c(OC)cc(OC(C)=O)cc2OC)c1 ZINC000238755239 EG Annotated Anodyne C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](O)C1=O ZINC000238755477 EG Annotated Mild CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(O[C@@]3(C)CC[C@H]12)[C@@H](O)CO[C@@H]4O ZINC000238755522 EG Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)cc(OC/C=C(\C)COC(C)=O)cc1O ZINC000238755741 EG Annotated Anodyne C[C@@]1(CC(=O)O)CC[C@]2(O)C(=C[C@@H]3OC(=O)[C@]4(C)CCC[C@]2(C)[C@H]34)C1 ZINC000238755886 EG Annotated Anodyne C[C@@H]1CC[C@H]2[C@H](C[C@H]3C[C@]2(O)C2=CC(=O)[C@H]4CCCC[C@@H]4[C@H]23)N1C ZINC000238755979 EG Annotated Mild COc1cc2c(cc1O)C[C@H]1c3cc4c(cc3C[C@@H]2[N+]1(C)C)OCO4 ZINC000238756163 EG Annotated Bother CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CC[C@]31Nc3ccc(OC)cc3C1=O)C2 ZINC000238756257 EG Annotated Anodyne C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 ZINC000238756360 EG Annotated Mild C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15 ZINC000238756361 EG Annotated Mild CC[C@@]1(C(=O)OC)c2[nH]c3ccccc3c2CCN2CCC1CC2 ZINC000238756393 EG Annotated Anodyne COc1c2ccoc2nc2c(OC)c(OC[C@H](O)C(C)C)ccc12 ZINC000238756415 EG Annotated Anodyne C=C1C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/CC[C@]3(CO)O[C@@H]3C[C@@H]12 ZINC000238756446 EG Annotated Mild C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)/C(C)=C\C ZINC000238756591 EG Annotated Reactive C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@]12C=C(C)[C@@H](O)O2 ZINC000238756718 EG Annotated Mild C=C[C@@]1(C=O)C[C@@H](OC(=O)[C@H](C)CC)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C ZINC000238756821 EG Annotated Mild C[C@H]1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CC[C@@H](O)[C@]4(C)C2=CC[C@H]1C3 ZINC000238756911 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2CC[C@](C)(O)[C@H]2[C@H](O)[C@@H]1C(C)C ZINC000238757005 EG Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12 ZINC000238757214 EG Annotated Mild C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@@H](CCC3)[C@@]12C[C@@H](c1ccco1)OC2=O ZINC000238757255 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@]4(O)CO ZINC000238757259 EG Annotated Anodyne CO[C@@H]1C(=O)c2ccc3occc3c2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000238757277 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@@](C)(O)[C@@]13C ZINC000238757434 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12 ZINC000238757466 EG Annotated Reactive CC(=O)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 ZINC000238757533 EG Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000238757586 EG Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)C(=O)C/C=C2\C[C@H](OC2=O)[C@H]1C(C)C ZINC000238757611 EG Annotated Anodyne C=C1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CC[C@@H](O)[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000238757719 EG Annotated Mild C[C@H](O)CC1=C(O)C2=C[C@H]3OC[C@@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@H]34 ZINC000238757783 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238757882 EG Annotated Mild C=C1[C@H](F)[C@]2(C=O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 ZINC000238757948 EG Annotated Reactive C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@]23C[C@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@H]13 ZINC000238758044 EG Annotated Anodyne CC(C)[C@]12/C=C/[C@@](C)(O)CC(=O)C[C@@H](C)CC[C@@H](O)[C@](C)(CC1)O2 ZINC000238758180 EG Annotated Anodyne CC(C)[C@@]12/C=C/[C@](C)(O)CC(=O)C[C@@H](C)CC[C@H](O1)[C@](C)(O)CC2 ZINC000238758196 EG Annotated Anodyne CC(C)[C@@]12/C=C/[C@@](C)(O)CC(=O)C[C@@H](C)CC[C@H](O1)[C@](C)(O)CC2 ZINC000238758207 EG Annotated Anodyne COC1=C2C(C)(C)C(=O)CC[C@@]2(C)c2c(cc(C)c(O)c2O)C1=O ZINC000238758571 EG Annotated Mild C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@@]2(C)[C@@H]1CC(=O)C1=C[C@H](O)OC1 ZINC000238758585 EG Annotated Mild C[C@H]1CC(=O)[C@@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]14[C@H]2CCC[C@]31CO1 ZINC000238758649 EG Annotated Anodyne CC1=CC(=O)O[C@H]1C/C=C(\C)[C@H](O)CC[C@H](C)C1=CC(=O)C(C)(C)O1 ZINC000238758654 EG Annotated Mild CC(C)=CC[C@@H](O)/C(C)=C/C[C@@H](O)/C(=C/CC/C(C)=C\CO)CO ZINC000238758889 EG Annotated Anodyne COc1ccc2cc3c4c(c(OC)c(CO)c(OC)c4c2c1)C(=O)N3 ZINC000238759101 EG Annotated Bother CC(C)/C1=C/[C@H]2[C@](C)(O)CC[C@]2(O)[C@@]2(C)CCC=C(CC1)C(=O)O2 ZINC000238759215 EG Annotated Anodyne C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000238759238 EG Annotated Mild C/C(=C\CO)CC/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@H](C)CN(C)C[C@H]2[C@@H]1C ZINC000238759278 EG Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2N ZINC000238759363 EG Annotated Clean CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]45CC(=O)O[C@@H]4O[C@H](O5)C3=CC(=O)[C@H]12 ZINC000238759511 EG Annotated Mild C=C[C@@](C)(O)CC(=O)/C=C(/C)CC/C=C(\C)[C@@H](O)C(=O)C=C(C)C ZINC000238759625 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C ZINC000238759750 EG Annotated Anodyne C[C@@H]1CC[C@@]2(C)[C@H](CCC(=O)[C@]2(C)O)[C@@]1(C)CCC1=CC(=O)OC1 ZINC000238759853 EG Annotated Anodyne C[C@@]12CCC(=O)[C@@](C)(CO)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 ZINC000238760090 EG Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@](C)(O)[C@H](O)C[C@H]12 ZINC000238760129 EG Annotated Mild C=CC1=C2C(=O)CC[C@@H]3C[N+]4([O-])C[C@@H](C)[C@H]5C[C@@H]4[C@]3(C)[C@]2(CC1)C5=O ZINC000238760306 EG Annotated Mild C/C=C(\C)C(=O)O[C@H]1Cc2cc3c(cc2OC1=O)C(C)(C)C=CO3 ZINC000238760341 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1Cc2cc3c(cc2OC1=O)C(C)(C)C=CO3 ZINC000238760353 EG Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@H](O)[C@@]2(O)C1 ZINC000238760360 EG Annotated Mild C[C@]1(CO)CCC[C@]2(C)c3cc4c(cc3C(=O)C[C@H]12)C(=O)C=CC4=O ZINC000238760424 EG Annotated Mild C[C@H]1C2=C(CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]14)C(=O)O[C@@H]2c1ccoc1 ZINC000238760768 EG Annotated Anodyne CC(=O)O[C@@H]1C/C(C(=O)O)=C/CC[C@](C)(OO)/C=C/C(C)(C)C1 ZINC000238760919 EG Annotated Reactive CC(C)[C@]1(O)C=C2C(=O)[C@H]3OC(=O)[C@@]4(C)CCC[C@](C)([C@@H]2CC1)[C@H]34 ZINC000238760923 EG Annotated Mild Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@]12CO2 ZINC000238761001 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@@]34O[C@]3(C[C@@H]12)OC(=O)[C@@H]4C ZINC000238761063 EG Annotated Anodyne C=C(C)[C@H](C[C@@](C)(O)[C@@H]1CC[C@@H](COC(C)=O)CC1)OC(C)=O ZINC000238761390 EG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@@H]3O[C@]3(C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12 ZINC000238761632 EG Annotated Mild CC(C)=CC(=O)O[C@H]1CCC(C)(C)[C@]2(C)[C@@]1(C)C[C@@H](CO)[C@]21CO1 ZINC000238761741 EG Annotated Anodyne C/C=C1/[C@@H]2CCN3CC[C@]4(c5cccc(O)c5N(C(=O)CC)[C@@H]4C2)[C@@H]13 ZINC000238761781 EG Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000238761808 EG Annotated Mild CC(=O)C(=O)[C@@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC(=O)O ZINC000238761820 EG Annotated Clean C/C(=C/CO)CC/C=C(/C=O)CCC[C@H](C)C(=O)C[C@H]1C[C@@]1(C)O ZINC000238762176 EG Annotated Reactive CC1=C(O)C(=O)C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)([C@H](O)CO)CC[C@@]12C ZINC000238762371 EG Annotated Mild C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccco1)OC2=O ZINC000238762405 EG Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1CC(C)=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238762461 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@]12C(=O)[C@]3(C(=O)C(O)=C1C)[C@@H](CC[C@H]3C)C2(C)C ZINC000238762565 EG Annotated Mild C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238762649 EG Annotated Mild CC(C)[C@H]1[C@H](O)C[C@@]23C=C[C@@](CO)(CC[C@H]2[C@]1(C)CCC(=O)O)C3 ZINC000238762725 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H](O)[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238763221 EG Annotated Anodyne C#C/C=C/C[C@@]12O[C@@H]([C@@H](Br)CC)C[C@]1(Cl)C=C[C@H]2O ZINC000238763314 EG Annotated Reactive C=C1[C@H](F)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O[C@H]([C@@H]12)[C@@H]3O ZINC000238763487 EG Annotated Mild C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H](O)[C@]2(C)O)[C@@]1(C)CCc1ccoc1 ZINC000238763536 EG Annotated Anodyne C=C1C[C@@]23CC[C@@H]4C(C)(C)OC(=O)CC[C@@]4(C)[C@@H]2C[C@@H]1[C@H](O)C3=O ZINC000238763574 EG Annotated Mild COc1ccc2c(c1)C[C@H]1c3c(cc(OC)c(O)c3-2)CC[N+]1(C)[O-] ZINC000238763581 EG Annotated Bother CC[C@@H]1C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CC[N+]1([O-])[C@H]24 ZINC000238763586 EG Annotated Bother C=C[C@@]1(C)C[C@@]2(OC[C@]3(C)O[C@@H]32)O[C@@H]2c3c(C)cccc3OC(=O)[C@@H]21 ZINC000238763726 EG Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(OC(C)=O)[C@H]1C[C@H]3O ZINC000238763745 EG Annotated Mild C=C1[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 ZINC000238763836 EG Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C\C1=C[C@H](O)OC1=O ZINC000238764523 EG Annotated Mild C=C(C)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@](O)(CO)C3 ZINC000238764583 EG Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@H](O)C1=O ZINC000238764593 EG Annotated Mild C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3)CO ZINC000238764741 EG Annotated Mild C/C1=C\CC[C@@](C)(O)/C=C/[C@](O)(C(C)C)CCC2=C[C@H](C1)OC2=O ZINC000238764794 EG Annotated Anodyne C/C1=C\CC[C@](C)(O)/C=C/[C@](O)(C(C)C)CCC2=C[C@H](C1)OC2=O ZINC000238764811 EG Annotated Anodyne C[C@H]1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2[C@@H](O)C[C@@H]1C3 ZINC000238764815 EG Annotated Anodyne OC[C@H](O)C#CC#C/C=C\CCCCCC/C=C\Br ZINC000238764816 EG Annotated Mild C[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238764878 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)C(=O)C(C)(C)[C@H]3CC[C@H](C)[C@@H]1[C@]32O ZINC000238764888 EG Annotated Anodyne C/C(=C\CC/C(=C/CC/C(C)=C/CC/C(=C\CO)CO)CO)CO ZINC000238764987 EG Annotated Anodyne C=C(C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C ZINC000238765000 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C/C/C=C(/COC(=O)CC(C)C)[C@H](O)C[C@H]12 ZINC000238765061 EG Annotated Mild C/C=C1\CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 ZINC000238765322 EG Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)[C@@H](O)C[C@H]3O[C@]31C2 ZINC000238765684 EG Annotated Anodyne CN1CC[C@]2([C@@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000238766216 EG Annotated Anodyne C=C1CCC[C@@]2(C)C[C@@H](O)[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C ZINC000238766246 EG Annotated Mild C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@@H](OC(=O)C=C(C)C)[C@H]12 ZINC000238766505 EG Annotated Mild CNCCc1cn([C@@]23CCN(C)[C@@H]2Nc2ccccc23)c2ccccc12 ZINC000238766510 EG Annotated Anodyne C=C(C)[C@H]1C[C@@H]2C(C)(C)C(Br)=C[C@H](O)[C@@]2(C)OCO1 ZINC000238766655 EG Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@H]2C1 ZINC000238766698 EG Annotated Anodyne CC1(C)C(=O)C(O)=C[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)CC3=CC[C@H]12 ZINC000238766770 EG Annotated Mild O=C1OC[C@@]23CC[C@H]4[C@H]5OC[C@@]4(C[C@H](c4ccoc4)O5)[C@H]2CCC=C13 ZINC000238766796 EG Annotated Anodyne C=C[C@H]1C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO ZINC000238766886 EG Annotated Mild C[C@@H]1[C@@H](O)[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C ZINC000238767130 EG Annotated Anodyne CC1=C2C=C3CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@]3(O)C[C@H]2OC1=O ZINC000238767147 EG Annotated Anodyne CC(C)[C@]1(O)C=C2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O ZINC000238767240 EG Annotated Anodyne C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)/C(C)=C/C ZINC000238767276 EG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000238767552 EG Annotated Mild CC1=C2CC[C@@](C)(O)[C@@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]2OC1)O3 ZINC000238767733 EG Annotated Anodyne C/C(=C/C(=O)O/C1=C/C(C)=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12)CO ZINC000238767736 EG Annotated Anodyne COc1ccc2c(c1)O[C@H](OC)[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 ZINC000238767773 EG Annotated Anodyne C=C(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000238767805 EG Annotated Mild C[C@@H]1COc2c1cc1c(c2O)C[C@@]2(O)CCCC(C)(C)[C@@H]2C[C@@H]1O ZINC000238768090 EG Annotated Anodyne CCC(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](OC(C)=O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C ZINC000238768317 EG Annotated Mild C/C=C1\C[N+]2(C)CCc3c4n(c5ccccc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42 ZINC000238768464 EG Annotated Bother CO[C@H]1C(C=O)=CC[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@@]2(C)[C@H]1O ZINC000238768593 EG Annotated Reactive CC(C)/C1=C\[C@@H](O)[C@](C)(O)CC(=O)C[C@H](C)CC[C@H]2O[C@]2(C)CC1 ZINC000238768709 EG Annotated Anodyne C[C@@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@@H]3O[C@@]32C)[C@@]1(C)CCC1=CC(=O)OC1 ZINC000238768728 EG Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@@H]1C(C)(C)CCC[C@]21C ZINC000238768814 EG Annotated Mild C[C@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000238768913 EG Annotated Anodyne CC(=O)OC/C=C(\C)CC/C=C(\C)[C@H](C/C=C(\C)CO)OC(C)=O ZINC000238769045 EG Annotated Anodyne CC(C)=CC[C@]12O[C@H](C(C)(C)O)C[C@H]1C(=O)c1ccccc1C2=O ZINC000238769170 EG Annotated Clean C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@H]3OC(=O)/C(=C/C)[C@H]3O[C@@]21C ZINC000238769506 EG Annotated Mild C/C=C(\C)[C@H]1O[C@]2(C)CC[C@@]3(O)C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O ZINC000238769548 EG Annotated Anodyne C=C[C@]1(C)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1O ZINC000238769557 EG Annotated Mild CC[C@@H](C)C(=O)O[C@H]1CC(C)=C[C@@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000238769599 EG Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C(=O)O[C@H]5O[C@@H](O)[C@]3(CC[C@H]12)[C@H]54 ZINC000238769712 EG Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@]2(C)CCC1=C[C@@H](O)OC1=O ZINC000238769780 EG Annotated Anodyne C/C(=C\CC[C@@H]1C(C)(C)[C@H]2C[C@]3(O)[C@@H](C)CC[C@@]13C[C@@H]2O)C(=O)O ZINC000238769789 EG Annotated Anodyne C=C1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12 ZINC000238769795 EG Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@H](O)C1=O ZINC000238770083 EG Annotated Mild COc1cc2c(cc1OC)-c1cc3c(c4ccnc(c14)C2=O)OCO3 ZINC000238770277 EG Annotated Anodyne CCO[C@@H](c1ccc(O)cc1)[C@H]1C(=O)N(C)C[C@@H]1c1ccc(O)cc1 ZINC000238770323 EG Annotated Anodyne C1=C2CCCN3CN4CCCC[C@H]4[C@]4(C[C@H]1[C@@H]1CCCCN1C4)[C@@H]23 ZINC000238771015 EG Annotated Anodyne C[C@]1([C@H](O)CO)CC[C@@]2(C)[C@@H](CCC(=O)[C@@H]2CCC[C@]2(C)CO2)C1 ZINC000238771167 EG Annotated Anodyne C=C1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)C[C@@H]12 ZINC000238771275 EG Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H]2O[C@]23Cc2occ(C)c2[C@@H](O)[C@]3(C)[C@H]1C ZINC000238771439 EG Annotated Anodyne CC1(C)OC(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](O)(CO)C3 ZINC000238771610 EG Annotated Anodyne COc1cc([C@@H]2Oc3ccc(/C=C/CO)cc3[C@H]2OC)ccc1O ZINC000238771931 EG Annotated Anodyne O=Cc1ccc(O)c2c(=O)n3c(cc12)C1=Nc2ccccc2[C@@H]1CC3 ZINC000238771960 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@]1(C)O ZINC000238772026 EG Annotated Anodyne C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CC=O)[C@@H](O)C[C@@H]12 ZINC000238772085 EG Annotated Mild C[C@@H]1Oc2cc3oc4ccc(O)c(O)c4c(=O)c3c(O)c2C1(C)C ZINC000238772114 EG Annotated Clean COc1cc(/C=C/COC(C)=O)cc(OC)c1OC(=O)CC(C)C ZINC000238772476 EG Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C/C=C1\CCOC1=O ZINC000238772682 EG Annotated Mild C=C(C)[C@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@@H]1OC(=O)/C(C)=C\C ZINC000238772769 EG Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@H]12 ZINC000238772809 EG Annotated Anodyne CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)[C@H](O)C[C@@H](OC(=O)CC(C)C)C3(C)C ZINC000238772844 EG Annotated Mild C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CCOC1=O)O2 ZINC000238772975 EG Annotated Anodyne C[C@H](CCO)CC[C@@]1(C)[C@H](C)[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]31 ZINC000238773120 EG Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CC[C@H](CO)CCO)[C@]32C ZINC000238773167 EG Annotated Anodyne C/C(=C\CC/C(=C/CO)CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000238773318 EG Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@@H](C)C=C[C@@H]3O[C@@]31C2=O ZINC000238773400 EG Annotated Anodyne C[C@@H]1CC[C@@H]2CC3=C(COC(=O)CC(C)(C)O)C(=O)C[C@@]31C2(C)C ZINC000238773505 EG Annotated Mild C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)OC3=CC[C@@]21C ZINC000238773517 EG Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C=C[C@H]3[C@@](C)(CO)CCC[C@]23C)C1=O ZINC000238773582 EG Annotated Mild O=c1c(Cc2ccccc2)ccc2n1C[C@@H]1CCCN3CCC[C@H]2[C@@H]13 ZINC000238773598 EG Annotated Anodyne C[C@@H]1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CC[C@@H](O)[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000238773837 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)O[C@@H]([C@@]3(C=O)O[C@H]3CO)C[C@H]21 ZINC000238773939 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@]3(COC(=O)CC(C)C)O[C@@H]3C[C@H]12 ZINC000238773979 EG Annotated Mild C/C(=C/CC/C(C)=C/[C@H](O)C/C(=C/CC/C(C)=C\CO)CO)CO ZINC000238774082 EG Annotated Anodyne C[C@@H]1CC(=O)[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238774394 EG Annotated Anodyne CO[C@@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1N(C(C)=O)CC4)OCO3 ZINC000238774479 EG 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]1CO ZINC000238774545 EG Annotated Anodyne C/C=C(\C)C(=O)Oc1cc(C)ccc1[C@]1(COC(=O)C(C)C)CO1 ZINC000238774560 EG Annotated Anodyne COc1c(O)c(C)c2occ(-c3ccccc3O)c(=O)c2c1OC ZINC000238774700 EG Annotated Anodyne CC(C)c1cc2c(c(O)c1O)C[C@]1(C)OC(=O)C(C)(C)C1=CC2=O ZINC000238774880 EG Annotated Mild Cc1cc(O)c2c(O)c(O)c(O)c3c2c1C1=C(C3=O)C(C)(C)[C@H](C)O1 ZINC000238775113 EG Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)CC(C)C)[C@@]1(C)O[C@H]21 ZINC000238775116 EG Annotated Mild C=C(C)CCc1c(O)cc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000238775468 EG Annotated Mild C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)C(C)C ZINC000238775526 EG Annotated Reactive C[C@H](O)CC1=C(O)C2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O ZINC000238775542 EG Annotated Mild CC1=CC(=O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000238775620 EG Annotated Mild C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@@H]1CC(=O)C1=C[C@H](O)OC1 ZINC000238775995 EG Annotated Mild COC1=C[C@H]2CCCN3CCC4=CC[C@H](OC)C[C@@]43[C@H]2C=C1OC ZINC000238776028 EG Annotated Anodyne COC(=O)C[C@@H](CC(=O)c1ccc(O)cc1)c1ccc(OC)cc1O ZINC000238776060 EG Annotated Anodyne C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2 ZINC000238776101 EG Annotated Anodyne C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C(=O)O[C@]2(/C=C/C=C(C)C)CO ZINC000238776154 EG Annotated Mild C=C(C)[C@@H]1CC[C@]23CO[C@]4(OO2)C2=C(C[C@@H]4C)C(=O)C(C)=C[C@@H]1[C@@H]23 ZINC000238776184 EG Annotated Reactive C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 ZINC000238776185 EG Annotated Mild Cc1occc1[C@@]1(C)CC[C@H]2[C@@H](CC=C3C[C@@H](O)[C@H](O)C[C@@]32C)C1=O ZINC000238776238 EG Annotated Anodyne CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)[C@@H](C)CCC4(C)C)OC1=O ZINC000238776322 EG Annotated Anodyne C=C1CC[C@H]2O[C@]2(COC(=O)/C(C)=C\C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C ZINC000238776362 EG Annotated Mild Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c(O)cc5cc(O)c1c2c5c43 ZINC000238776579 EG Annotated Bother C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2C[C@H](O)[C@H](C)[C@@]13C ZINC000238776617 EG Annotated Anodyne C[C@H](CO)CCC[C@@]1(CO)[C@H]2C(C(=O)O)=CC[C@H]3[C@@H](C)CC[C@@H]1[C@H]32 ZINC000238776877 EG Annotated Anodyne CC1=CC(=O)O[C@H](/C=C(\C)CC[C@@H](O)[C@H](C)C2=CC(=O)C(C)(C)O2)C1 ZINC000238776968 EG Annotated Mild COc1c(O)ccc2c1C=[N+](C)[C@H]1c3cc4c(cc3C=C[C@@H]21)OCO4 ZINC000238777001 EG Annotated Anodyne C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(/C)CC[C@H](O)[C@]2(C)CC[C@@H]1O2 ZINC000238777114 EG Annotated Mild C[C@@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238777219 EG Annotated Anodyne C[C@H]1C[C@H](O)[C@]2(C)[C@H](C=O)[C@H](O)CC[C@H]2[C@]1(C)CCc1ccoc1 ZINC000238777247 EG Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](O)CC(C)=CC[C@]21C ZINC000238777260 EG Annotated Anodyne C=C1[C@@H]2CCC(=O)[C@@](CC[C@H]3[C@]4(C)CCC[C@@]3(C)C(=O)O4)(C2)[C@@H]1O ZINC000238777401 EG Annotated Mild COC(=O)[C@]1(C)C[C@@H](O)C[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@H]21 ZINC000238777406 EG Annotated Anodyne C=C[C@@](C)(O)CC/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000238777497 EG Annotated Mild CCCC/C=C/C=C\[C@@H]1CCC[C@H]2N[C@@H](C)[C@@H](OC(=O)CO)C[C@@H]12 ZINC000238777821 EG Annotated Anodyne CC1(C)C=COc2c(O)cc3oc4cc(O)cc(O)c4c(=O)c3c21 ZINC000238778011 EG Annotated Bother C=C1CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]2(C)[C@@H]1CCC1=CC(=O)O[C@@H]1O ZINC000238778012 EG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000238778337 EG Annotated Mild C/C=C(/C=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C1=C\O ZINC000238778391 EG Annotated Reactive C=C1[C@@H](O)CC[C@@]2(C)CC[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C ZINC000238778605 EG Annotated Mild Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CC[C@H]3O[C@]31[C@H]2OC(=O)C(C)C ZINC000238778921 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C[C@@H]12)OC(=O)[C@@H]3C ZINC000238778932 EG Annotated Anodyne CC(=O)c1cc(C)c(O)c(Cc2c(O)c(C)cc(C(C)=O)c2O)c1O ZINC000238778976 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 ZINC000238779015 EG Annotated Anodyne C=C1[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)C[C@@H]12 ZINC000238779030 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1C=C(C=O)[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@@H]3C=O ZINC000238779087 EG Annotated Reactive CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H](C3=C(O)C(=O)OC3)C[C@H]12 ZINC000238779221 EG Annotated Reactive COc1c2c(cc3c1COC3=O)O[C@@](C)(CC(=O)C=C(C)C)CC2 ZINC000238779310 EG Annotated Mild CC(=O)O[C@@H]1C/C(C)=C\CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@H]1C(C)C ZINC000238779316 EG Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H](OC(=O)[C@H](C)CC)/C(C)=C/CC/C(C)=C/[C@@H](O)[C@H]12 ZINC000238779436 EG Annotated Mild COc1cc2c3c(c1)oc(=O)c1c(OC)c(OC)c(OC)c(c13)CC2 ZINC000238779757 EG Annotated Bother c1cc(C[C@@H]2COC[C@H]2Cc2ccc3c(c2)OCO3)c2c(c1)OCO2 ZINC000238779783 EG Annotated Anodyne CO[C@H]1CCC2=C(CN(C)c3c2ccc2cc4c(cc32)OCO4)C1=O ZINC000238779815 EG Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000238779842 EG Annotated Mild O=C(O)CCCCCCCC(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 ZINC000238779957 EG Annotated Anodyne C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]3(O)C2)[C@@H]1O ZINC000238779996 EG Annotated Mild CC[C@H](O)/C=C/C=C\C/C=C/[C@@H]1[C@H]2O[C@H]2C[C@H]1[C@H]1CCCC(=O)O1 ZINC000238780111 EG Annotated Anodyne CC(=O)O[C@@H]1C/C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000238780123 EG Annotated Anodyne C[C@H]1CC[C@]23C[C@H](O)[C@H](C=C12)C(C)(C)[C@H]3CC(=O)C[C@@H](C)C(=O)O ZINC000238780243 EG Annotated Anodyne Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@H]1COC(=O)C1=CC=C2 ZINC000238780382 EG Annotated Anodyne CC(C)C1=C[C@@H](C=O)[C@H]2C(=C1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O ZINC000238780392 EG Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CC[C@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C ZINC000238780518 EG Annotated Anodyne O=C(/C=C(/Cl)Br)C(Br)Br ZINC000238780551 EG Annotated Reactive C/C=C(\C)C(=O)O[C@H]1CC[C@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C ZINC000238780680 EG Annotated Anodyne C/C=C1\[C@@H]2CCN3CC[C@]4(c5cccc(O)c5N(C(=O)CC)[C@@H]4C2)[C@@H]13 ZINC000238780738 EG Annotated Anodyne C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 ZINC000238780808 EG Annotated Mild C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@@H]3OC(=O)C(=C(C)C)[C@@H]3O[C@@H]21 ZINC000238780845 EG Annotated Mild C#C/C=C\C[C@@]12O[C@@H]([C@@H](Br)CC)C[C@]1(Cl)C=C[C@H]2O ZINC000238780881 EG Annotated Reactive CC1(C)O[C@]2(C)[C@@H]3CC[C@](C)(O[C@@H]2C[C@H]1Br)[C@@H](O)C3 ZINC000238780938 EG Annotated Reactive C=C[C@]1(C)CC[C@@H]2C(=C[C@@H](O)[C@H]3[C@@](C)(C(=O)O)C(=O)CC[C@]23C)C1 ZINC000238781110 EG Annotated Mild COc1c2c(cc3ccoc13)C(=O)c1cc(C(C)(C)O)oc1C2=O ZINC000238781209 EG Annotated Clean C/C(=C\CC/C(=C\CO)CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000238781229 EG Annotated Anodyne C[C@@]12OC[C@H]3OC4=C5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(CO1)[C@H]32 ZINC000238781270 EG Annotated Anodyne C=C[C@]1(C)CC2=C(O)C(=O)[C@]34O[C@]3(CCCC4(C)C)[C@]2(C)[C@@H](O)C1 ZINC000238781306 EG Annotated Mild CC(=O)OC/C=C(\C)CC/C=C(\C)[C@H](O)C/C=C(\C)COC(C)=O ZINC000238781431 EG Annotated Anodyne C/C=C(/C)C(=O)OC[C@]12CCC3=C(C)C(=O)O[C@@H]3/C=C(\C)CC[C@@H]1O2 ZINC000238781567 EG Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C\C1=CC(=O)O[C@@H]1O ZINC000238781582 EG Annotated Mild COc1c(C)c(O)c(C)c(O)c1CCCc1cc2c(cc1O)OCO2 ZINC000238781797 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C(=O)O[C@@H]5O[C@@H](O)[C@@]3(CC[C@H]12)[C@@H]54 ZINC000238782210 EG Annotated Anodyne CC1=C(C=O)CC[C@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@@H]3C ZINC000238782218 EG Annotated Reactive COc1cc2c(cc1O)C1=Cc3ccc(OC)c(OC)c3CN1CC2 ZINC000238782308 EG Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3O[C@]32C)[C@@]1(C)CCC1=CC(=O)OC1 ZINC000238782310 EG Annotated Anodyne C=C[C@@]1(C)CC[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)[C@@H]2C=C(O)C(=O)[C@]32CO2)C1 ZINC000238782545 EG Annotated Mild C=C(C)[C@H]1C[C@H](OC(=O)CC(C)C)[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@@H]2C ZINC000238782593 EG Annotated Mild CC(C)=CCC(=O)/C(C)=C/CC[C@]1(CO)O[C@H]1CC/C(C)=C\CO ZINC000238782625 EG Annotated Mild C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](O)[C@@H]1OC(=O)/C(C)=C\C ZINC000238782641 EG Annotated Mild C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@H]12 ZINC000238782725 EG Annotated Mild C=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238782814 EG Annotated Mild C[C@@H]1C(=O)C=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2C ZINC000238782826 EG Annotated Mild C=C1CC[C@H](C(C)C)[C@H]2O[C@]13CC[C@](C)(O3)[C@@H]1[C@@H](O)C[C@@](C)(O)[C@H]12 ZINC000238782828 EG Annotated Mild C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CCO[C@@H]1O)O2 ZINC000238783019 EG Annotated Anodyne COc1cc2ccc1Oc1cc(ccc1O)CC[C@@H](O)[C@@H](O)CCC2 ZINC000238783107 EG Annotated Anodyne CC(=O)O[C@H]1C=C2CCC(=O)[C@H](OC(C)=O)C(C)=C[C@@]2(C)[C@H](C)C1 ZINC000238783247 EG Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000238783253 EG Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000238783329 EG Annotated Mild CC(=O)N1CCCC[C@@H]1C[C@@H]1C[C@@H](C)C[C@@H]2[C@H]1CCCN2C(C)=O ZINC000238783463 EG Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1[C@]2(CC3=CCC[C@H](C)[C@]31C)C(=O)O[C@@H]1O[C@@]12C ZINC000238783577 EG Annotated Anodyne C[C@H]1CC(=O)[C@]2(C)[C@@H](CC[C@@H]3O[C@@]32C)[C@]12C[C@H](c1ccoc1)OC2=O ZINC000238783618 EG Annotated Anodyne CC[C@@H](C)C(=O)Oc1c(OC)cc(/C=C/COC(C)=O)cc1OC ZINC000238783732 EG Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)CC(C)C)[C@@H]1CCC(=O)[C@]12C ZINC000238783797 EG Annotated Mild COc1cc(OC)c2c(c1)OC(c1ccc(O)c(OC)c1)=C(O)C2 ZINC000238783838 EG Annotated Anodyne C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@]1(C)CCC1=CC(=O)O[C@H]1O ZINC000238783865 EG Annotated Anodyne C[C@@]1([C@H](O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)/C(=C/O)[C@]3(C)CC[C@@H]2C1 ZINC000238783924 EG Annotated Mild O=C1CN=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc1c23 ZINC000238783993 EG Annotated Anodyne CC1=C[C@]2(O)C(=O)[C@@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(/C=C/2C1=O)O3 ZINC000238784119 EG Annotated Mild C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]2(O)CC1 ZINC000238784254 EG Annotated Mild CC1=C(CO)CC[C@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@@H]3C ZINC000238784416 EG Annotated Mild COc1c(O)c(OC)c2c(=O)c(-c3ccccc3O)coc2c1C ZINC000238784421 EG Annotated Anodyne CC1=C2CC/C(C)=C/CC[C@@](C)(O)[C@H]3CC[C@](C)(O3)[C@H](C2=O)[C@H]1O ZINC000238784428 EG Annotated Mild CC1=C2CC/C(C)=C\CC[C@@](C)(O)[C@H]3CC[C@](C)(O3)[C@H](C2=O)[C@H]1O ZINC000238784430 EG Annotated Mild C[C@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]1(O)CCC1=CCOC1=O ZINC000238784446 EG Annotated Anodyne C/C(=C\[C@H](O)C/C(C)=C/CO)CC/C=C(\C)C(=O)/C=C/C(C)(C)O ZINC000238784523 EG Annotated Mild C=C1[C@H](O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238784613 EG Annotated Mild CC(C)/C1=C/[C@@H](O)[C@@](C)(O)CC(=O)C[C@H](C)CC[C@H]2O[C@]2(C)CC1 ZINC000238784698 EG Annotated Anodyne CC1=CCC[C@H]2[C@](C)(CCC3=C[C@H](O)OC3=O)[C@@H](C)C[C@@H](O)[C@@]12C ZINC000238784709 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C[C@@H]12)OC(=O)[C@@H]3C ZINC000238785029 EG Annotated Anodyne C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(\C)CC[C@H]2O[C@@H]1CC[C@]2(C)O ZINC000238785074 EG Annotated Mild C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(/C)CC[C@H]2O[C@@H]1CC[C@]2(C)O ZINC000238785077 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC3=C([C@@H](O)[C@]2(C)[C@H]1C)[C@@H](C)C(=O)O3 ZINC000238785197 EG Annotated Anodyne C=C(C)C(=O)CC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO ZINC000238785228 EG Annotated Mild CC1=C[C@@]2(O)C(=O)[C@H](C)CCC(C)(C)[C@@H]3CC[C@@](C)(/C=C\2C1=O)O3 ZINC000238785282 EG Annotated Mild CC(=O)O[C@@H]1C=CC(=O)[C@]2(CC(=O)O[C@@H]2/C=C(/C)CCC=C(C)C)C1 ZINC000238785873 EG Annotated Mild CC(C)=C[C@@H]1OC(=O)[C@H](/C=C/C/C(C)=C\CCC2=CC(=O)OC2)[C@@H]1O ZINC000238785921 EG Annotated Anodyne CC1=C2CCC=C3C(=O)OC[C@]32C=CC2=C1[C@H](c1ccoc1)OC2=O ZINC000238785942 EG Annotated Anodyne CC(C)c1cc2c(c(C=O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](O)O[C@H]3O2 ZINC000238786193 EG Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OC)[C@H]4C[C@@H](O)[C@]3(C2)[C@@H]1O ZINC000238786285 EG Annotated Mild Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H]3O[C@]31[C@H]2O ZINC000238786504 EG Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C\C/C=C(\C)CC[C@H]2O ZINC000238786542 EG Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C\C/C=C(/C)CC[C@H]2O ZINC000238786543 EG Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C/C/C=C(/C)CC[C@H]2O ZINC000238786545 EG Annotated Mild COc1cc([C@@H]2C=Cc3cc(O)ccc3O2)c(OC)c(OC)c1O ZINC000238786593 EG Annotated Anodyne COc1cc2c(ccc3cc(O)c(OC)c(OC)c32)c(O)c1OC ZINC000238786598 EG Annotated Bother C=C1Nc2ccccc2[C@]1(O)CCN1CCC[C@@]2(CC)CCO[C@@H]12 ZINC000238786785 EG Annotated Mild C[C@H]1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12CC[C@@]1(COC(=O)C1)O2 ZINC000238786800 EG Annotated Anodyne C=C(C)[C@H](O)CC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)[C@H](O)CO ZINC000238786857 EG Annotated Mild C/C1=C\[C@@H](O)[C@@](O)(C(C)C)CCC2=C[C@@H](C/C(C)=C/CC1)OC2=O ZINC000238786885 EG Annotated Anodyne C[C@]12[C@@H]3[C@@H](c4ccoc4)OC(=O)[C@]31C(=O)C[C@]1(C)[C@@H]2CC[C@H]2O[C@]21C ZINC000238786962 EG Annotated Anodyne CC1(C)[C@H]2CC[C@@]3(C)Oc4cc(O)c5c(=O)cc(CO)oc5c4[C@@H]1[C@@H]23 ZINC000238786983 EG Annotated Anodyne CC1=CC(=O)O[C@H](/C=C(\C)CCC[C@@H](CO)C2=CC(=O)C(C)(C)O2)C1 ZINC000238787211 EG Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)OC3=C[C@@H]12 ZINC000238787213 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@H]31 ZINC000238787460 EG Annotated Anodyne CC1(C)C=Cc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2O1 ZINC000238788308 EG Annotated Clean COC(=O)/C1=C\[C@@H]2[C@H](C[C@]3(C)O[C@H]3CC1)[C@H]1[C@]2(C(C)C)CC[C@@]1(C)O ZINC000238788353 EG Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(\C)CC[C@H]2O ZINC000238788439 EG Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@H]2O ZINC000238788440 EG Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O ZINC000238788442 EG Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(/C)CC[C@H]2O ZINC000238788444 EG Annotated Mild C=CC(C)(C)c1ccc(C2=C(CC(C)C)C(=O)N(O)C2=O)cc1O ZINC000238788461 EG Annotated Mild CC1(C)C=Cc2c3c(c4oc(=O)ccc4c2O1)C(C)(C)[C@@H](CO)O3 ZINC000238788496 EG Annotated Anodyne COc1c2c(c(/C=C/C(C)C)c(O)c1C(C)=O)O[C@@H](C(C)(C)O)C2 ZINC000238788555 EG Annotated Anodyne CC1=CC(=O)O[C@@H](/C=C(/C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 ZINC000238788556 EG Annotated Mild C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000238788846 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@H]2O[C@]23Cc2occ(C)c2[C@@H](O)[C@]3(C)[C@H]1C ZINC000238789014 EG Annotated Anodyne Cc1coc2c1C[C@@]1(C)[C@@H](CC[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]1C)C2=O ZINC000238789101 EG Annotated Anodyne COc1cc(O)c(-c2cc3cc(C(=O)CCO)ccc3o2)c(OC)c1 ZINC000238789127 EG Annotated Anodyne C/C=C1/C[N+]2(C)CCc3c4n(c5ccccc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42 ZINC000238789297 EG Annotated Bother CC[C@H](C)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000238789631 EG Annotated Anodyne C/C1=C\[C@@H]2OC[C@](C)(O)/C2=C\C[C@@](C)(O)/C=C/C[C@]2(C)O[C@H]2CC1 ZINC000238789766 EG Annotated Anodyne C[C@H]1C[C@H]2OC(=O)[C@@H]3CCC[C@@H]([C@@H]23)[C@]12C[C@H](c1ccoc1)OC2=O ZINC000238789773 EG Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1 ZINC000024967201 EG Annotated Anodyne in-vivo O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@H]1CC=C[C@H]31 ZINC000247374502 EG Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@@H]1CC=C[C@@H]31 ZINC000247374510 EG Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@@H]1CC=C[C@H]31 ZINC000247374516 EG Annotated Anodyne N#C[C@]1(C(N)=O)[C@@H](c2cccs2)CC(=O)C[C@H]1c1cccs1 ZINC000247711290 EG Annotated Mild COc1nc(N2[C@H](C)CCC[C@H]2C)nc(N2[C@H](C)CCC[C@H]2C)n1 ZINC000247915653 EG Annotated Anodyne Cc1cccc2cc(CNC3CC3)c(N3CCN4CCC[C@H]4C3)nc12 ZINC000248328636 EG Annotated Anodyne CSCCc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O ZINC000002500146 EG Annotated Anodyne CCN(c1ccc2[nH]c(=O)c(CCSC)nc2n1)C1CCCCC1 ZINC000002500192 EG Annotated Anodyne O=C(c1cccs1)c1conc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002503593 EG Annotated Bother CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H](OC(C)(C)C)C1 ZINC000002527684 EG Annotated Anodyne Cc1nnc(OCC(=O)NCCC2=CCCCC2)c2ccccc12 ZINC000002618735 EG Annotated Anodyne Cc1c(-c2nn(C)c(=O)c3ccccc23)oc2ccc(F)cc2c1=O ZINC000002635384 EG Annotated Anodyne CCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O ZINC000002639609 EG Annotated Anodyne COC(=O)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000002658711 EG Annotated Reactive CCN1CCc2c(OCC(=O)Nc3ccc(C)cc3)cccc2C1=O ZINC000002716295 EG Annotated Anodyne COC(=O)CCN(C(=O)C1C2CC3CC(C2)CC1C3)c1ccccn1 ZINC000002725724 EG Annotated Anodyne CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1 ZINC000002830852 EG Annotated Anodyne CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1 ZINC000002830853 EG Annotated Anodyne C[C@@]12CC[C@H]3C[C@]1(C#N)N(C(=O)c1cccc([N+](=O)[O-])c1)C[C@]32C ZINC000002871160 EG Annotated Mild COC(CNC(=O)c1oc2ccc3c(c2c1C)C=CC(C)(C)O3)OC ZINC000002908517 EG Annotated Anodyne COC(=O)Cc1nc(N2CCCCCC2)c2c(C)c(C)sc2n1 ZINC000002910820 EG Annotated Anodyne CCOCCC/N=C(\O)[C@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000002912587 EG Annotated Mild CCOCCC/N=C(\O)[C@@H]1CCCN(c2nc3ccccc3o2)C1 ZINC000002912589 EG Annotated Mild CCc1ccc([C@H]2C[C@H](c3cccc(OC)c3)n3nnnc3N2)cc1 ZINC000002915333 EG Annotated Anodyne COCCNC(=O)c1cccnc1SCc1ccccc1Cl ZINC000002922051 EG Annotated Anodyne O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000250191936 EG Annotated Anodyne O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000250191939 EG Annotated Anodyne CN(C)c1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250339525 EG Annotated Clean COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250579313 EG Annotated Anodyne COc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250586137 EG Annotated Anodyne O=C1[C@@H]2CCCN2[C@H](c2c(F)cccc2Cl)N1c1nccs1 ZINC000250774795 EG Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000251583035 EG Annotated Anodyne C[C@@H]1[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)CCC[C@H]1C ZINC000251583039 EG Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Nc1cn(C)c(=O)c2ccccc12 ZINC000251816729 EG Annotated Anodyne C[C@@H]1[C@@H](NC(=O)Nc2cn(C)c(=O)c3ccccc23)CCC[C@H]1C ZINC000251816731 EG Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)/C=C/c1ccc(F)cc1 ZINC000252438240 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@@H]31 ZINC000253389052 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO)O[C@@H]13 ZINC000253389053 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO)O[C@H]13 ZINC000253389054 EG Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@H]31 ZINC000253389055 EG Annotated Anodyne CCOc1cc2nc(=S)n(CCCOC)c(O)c2cc1OCC ZINC000253496799 EG Annotated Anodyne COc1cccc(N=Nc2c(N)nn3c(O)c4c(nc23)CCCC4)c1 ZINC000253531722 EG Annotated Clean CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4[C@H](C(=O)O)C1)[C@@H]32 ZINC000253604811 EG Annotated Anodyne O=C(CCN1CCC[C@@H]2CCCC[C@H]21)c1ccc(O)c(O)c1[N+](=O)[O-] ZINC000253632389 EG Annotated Clean O=C(CCN1CCC[C@H]2CCCC[C@H]21)c1ccc(O)c(O)c1[N+](=O)[O-] ZINC000253632390 EG Annotated Clean CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000253633968 EG Annotated Mild CC(C)(C)CNC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000253635111 EG Annotated Anodyne CC(C)(C)CNC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000253635117 EG Annotated Anodyne Clc1cc(N=NN2CCCC2)cc(Cl)c1NC1=NCCN1 ZINC000253636871 EG Annotated Clean C[C@H]1CC[C@@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000253636950 EG Annotated Clean C[C@@H]1CC[C@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000253636951 EG Annotated Clean C[C@H]1CC[C@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000253636953 EG Annotated Clean C[C@@H]1CC[C@@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000253636954 EG Annotated Clean N=C(N)SCCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)CC2)CC1 ZINC000253638825 EG Annotated Anodyne O=C1c2cccnc2[S@](=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000253666583 EG Annotated Anodyne O=C1c2cccnc2[S@@](=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000253666590 EG Annotated Anodyne CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@H]1Br ZINC000253667179 EG Annotated Reactive CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@H]1Br ZINC000253667186 EG Annotated Reactive CCC[C@H]1C[C@]2(C[C@@H](CCC)N1)C(=O)NC(=O)N2c1ccccc1 ZINC000253668326 EG Annotated Anodyne CCC[C@H]1C[C@@]2(C[C@@H](CCC)N1)C(=O)NC(=O)N2c1ccccc1 ZINC000253668331 EG Annotated Anodyne NC1=CCN(CC[C@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000253681490 EG Annotated Anodyne NC1=CCN(CC[C@@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000253681494 EG Annotated Anodyne CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253697546 EG Annotated Mild CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253697555 EG Annotated Mild CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253697562 EG Annotated Mild CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253697569 EG Annotated Mild CC(C)CNC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000253701905 EG Annotated Anodyne CC(C)CNC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000253701911 EG Annotated Anodyne CC(C)CCNC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000253703223 EG Annotated Anodyne CC(C)CCNC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000253703225 EG Annotated Anodyne O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@H]1[N+](=O)[O-] ZINC000253724012 EG Annotated Bother O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@H]1c1cnoc1C2 ZINC000253776714 EG Annotated Anodyne Clc1ccc2oc3c(N4C[C@@H]5CCCN[C@H]5C4)ncnc3c2c1 ZINC000253778996 EG Annotated Anodyne Clc1ccc2oc3c(N4C[C@H]5CCCN[C@H]5C4)ncnc3c2c1 ZINC000253778999 EG Annotated Anodyne CO[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000253783073 EG Annotated Anodyne CO[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000253783079 EG Annotated Anodyne O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000253794874 EG Annotated Anodyne O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000253794882 EG Annotated Anodyne C[C@@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@H](C)CO[C@]3(C)O4)C[C@@H]12 ZINC000253803298 EG Annotated Anodyne C[C@@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@H](C)CO[C@]3(C)O4)C[C@H]12 ZINC000253803304 EG Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@H]12)O[C@]1(C)OC[C@H](C)[C@@H]1C4 ZINC000253803311 EG Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@H]12)O[C@]1(C)OC[C@H](C)[C@H]1C4 ZINC000253803317 EG Annotated Anodyne CCN1C=C[C@@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@H]21 ZINC000253809502 EG Annotated Mild CCN1C=C[C@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@H]21 ZINC000253809504 EG Annotated Mild COc1cc(OC2=C[S@@](=O)c3ccccc32)cc(OC)c1OC ZINC000253810801 EG Annotated Anodyne COc1cc(OC2=C[S@](=O)c3ccccc32)cc(OC)c1OC ZINC000253810805 EG Annotated Anodyne O=[N+]([O-])c1cccc(N=NN(CCO)c2cccc([N+](=O)[O-])c2)c1 ZINC000253928700 EG Annotated Clean O=[N+]([O-])c1ccc2[nH]c(O)c(N=N/C(S)=N/C[C@H]3CCCO3)c2c1 ZINC000253947096 EG Annotated Mild O=[N+]([O-])c1ccc2[nH]c(O)c(N=N/C(S)=N/C[C@@H]3CCCO3)c2c1 ZINC000253947098 EG Annotated Mild C#CCn1c(O)c(N=NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000253947669 EG Annotated Mild C#CCn1c(O)c(N=NC(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000253947670 EG Annotated Mild Cn1c(O)c(N=NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 ZINC000253960960 EG Annotated Clean Cn1c(O)c(N=NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 ZINC000253960964 EG Annotated Clean O=C(CCNC(=O)c1ccccc1)N=Nc1c(O)[nH]c2ccccc12 ZINC000253966819 EG Annotated Clean Cc1nc(N)sc1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000253977272 EG Annotated Clean O=C(Cn1ccc(C(F)(F)F)n1)N=Nc1c(O)[nH]c2ccccc12 ZINC000253978833 EG Annotated Clean CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C ZINC000253978896 EG Annotated Mild CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@@]23C ZINC000253978900 EG Annotated Mild COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@@+]1(C)[O-] ZINC000253995018 EG Annotated Bother COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@@+]1(C)[O-] ZINC000253995024 EG Annotated Bother COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@+]1(C)[O-] ZINC000253995029 EG Annotated Bother COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@+]1(C)[O-] ZINC000253995033 EG Annotated Bother COC(=O)C1=C2CCCO[C@@H]2[C@H]2[C@H](C)[C@@H](OC)c3ccccc3[C@H]12 ZINC000254010241 EG Annotated Anodyne COC(=O)C1=C2CCCO[C@@H]2[C@@H]2[C@@H]1c1ccccc1[C@H](OC)[C@@H]2C ZINC000254010251 EG Annotated Anodyne COC(=O)C1=C2CCCO[C@@H]2[C@H]2[C@H](C)[C@H](OC)c3ccccc3[C@H]12 ZINC000254010263 EG Annotated Anodyne CCOC(=O)c1ccc(N=Nc2c(O)nc(O)c(C#N)c2C)cc1 ZINC000254010905 EG Annotated Mild C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@H]2C ZINC000254011989 EG Annotated Mild CC1=C2[C@H](O)[C@H]([C@H](C)C(=O)NCCC(C)C)CC[C@]2(C)C=CC1=O ZINC000254019280 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@@]1(O)C3 ZINC000254044202 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@]1(O)C3 ZINC000254044206 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@@]1(O)C3 ZINC000254044211 EG Annotated Mild COC[C@H](O)[C@@H]1OCc2cc(OC)ccc2[C@H]1/C=C\c1ccccc1 ZINC000254046170 EG Annotated Anodyne COC(=O)[C@]1(C)[C@H]2C[C@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000254046316 EG Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C[C@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000254046323 EG Annotated Anodyne ClCCN(CCCl)c1ccc(C=NNc2ncccn2)cc1 ZINC000254071173 EG Annotated Reactive N[C@@H]1CC[C@@H](Nc2cc(NCc3ccccc3)n3nccc3n2)CC1 ZINC000254093775 EG Annotated Anodyne COC(=O)CCN1CC[C@H]2C[C@H]1c1cc(N3CCCCC3)ccc12 ZINC000254096562 EG Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O ZINC000254133032 EG Annotated Mild CC(=O)NC1(NC(C)=O)[C@@H](Cc2ccccc2)[C@@H]2C[C@H]1[C@@H](C)C2(C)C ZINC000254145425 EG Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@H](OC(=O)C=C(C)C)[C@@H]1O ZINC000254216467 EG Annotated Mild C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@@H]1O ZINC000254216469 EG Annotated Mild C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@H]1O ZINC000254216470 EG Annotated Mild C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@H](OC(=O)C=C(C)C)[C@H]1O ZINC000254216472 EG Annotated Mild COc1ccc(N=C2SCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000254290400 EG Annotated Mild Cn1ncc(N=Cc2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1ccccc1 ZINC000254308651 EG Annotated Mild COc1ccc(-c2csc(=Nc3ccccc3)n2CCO)cc1 ZINC000254378179 EG Annotated Anodyne CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2C)cc1 ZINC000254380793 EG Annotated Mild aggregator OCCn1c(-c2ccc3c(c2)OCO3)csc1=Nc1ccccc1 ZINC000254396123 EG Annotated Anodyne CN(C)C=NC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000254441149 EG Annotated Mild COc1ccccc1C(=O)N=c1sc2c(C)ccc(OC)c2n1C ZINC000254479908 EG Annotated Anodyne CCOC(=O)c1sc(=NC(=O)c2ccc(Cl)s2)n(C)c1C ZINC000254486065 EG Annotated Anodyne COc1ccc(C)c2sc(=NC(=O)c3ccc(C#N)cc3)n(C)c12 ZINC000254487876 EG Annotated Mild O=c1c(=Cc2cccn2-c2ccccc2)sc2nc3ccccc3n12 ZINC000254492828 EG Annotated Anodyne aggregator C#CCn1c(=NC(=O)c2cccs2)sc2cccc(OC)c21 ZINC000254493509 EG Annotated Mild aggregator COc1ccc(C)c2sc(=NC(=O)c3ccc(F)cc3)n(C)c12 ZINC000254592871 EG Annotated Anodyne O=C(O)c1ccc(C=Nn2c(-c3ccc(F)cc3)n[nH]c2=S)cc1 ZINC000254595940 EG Annotated Mild C=CCn1c(=NC(=O)c2ccco2)sc2cc(C(=O)OC)ccc21 ZINC000254624595 EG Annotated Mild CNC(=S)NN=Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000254735393 EG Annotated Mild aggregator O=[N+]([O-])c1ccc(Cl)c(C=NN2CCN(c3ccccc3)CC2)c1 ZINC000254756630 EG Annotated Mild aggregator Cn1c(=NC(=O)COc2ccccc2)sc2cc(F)cc(F)c21 ZINC000254759151 EG Annotated Anodyne C=CCN1C(=Nc2cccnc2)SC[C@@]1(O)c1ccc(C)cc1 ZINC000254799432 EG Annotated Mild C=CCN1C(=Nc2cccnc2)SC[C@]1(O)c1ccc(C)cc1 ZINC000254799435 EG Annotated Mild COc1ccc(OC)c2c1sc(=NC(=O)C1CCCCC1)n2C ZINC000254816530 EG Annotated Anodyne CN(C)C=NC(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 ZINC000254818208 EG Annotated Mild CN(C)c1ccc(C(=O)N=c2sc3cccc(F)c3n2C)cc1 ZINC000254845803 EG Annotated Anodyne COc1ccc2oc(=Nc3cc(F)ccc3F)c(C(N)=O)cc2c1 ZINC000254871408 EG Annotated Anodyne COc1ccccc1N=C1SCC(=O)N1c1ccccc1OC ZINC000254877398 EG Annotated Mild Cn1c(=NC(=O)c2ccccc2[N+](=O)[O-])sc2cccc(F)c21 ZINC000254899595 EG Annotated Bother CCn1c(=NC(=O)COc2ccccc2)sc2cccc(F)c21 ZINC000254900746 EG Annotated Anodyne c1ccc2c(c1)Oc1ncccc1[C@@H]2SCCN1CCOCC1 ZINC000025971425 EG Annotated Anodyne c1ccc2c(c1)Oc1ncccc1[C@H]2SCCN1CCOCC1 ZINC000025971431 EG Annotated Anodyne COc1c2c(cc3c(-c4ccccc4F)noc13)C[C@H](C(=O)O)O2 ZINC000025975288 EG Annotated Anodyne COc1c2c(cc3c(-c4ccccc4F)noc13)C[C@@H](C(=O)O)O2 ZINC000025975297 EG Annotated Anodyne O=C(O)[C@@H]1Cc2cc3c(-c4ccc(O)cc4)noc3c(Cl)c2O1 ZINC000025976960 EG Annotated Anodyne O=C(O)[C@H]1Cc2cc3c(-c4ccc(O)cc4)noc3c(Cl)c2O1 ZINC000025976967 EG Annotated Anodyne NC(=O)[C@@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 ZINC000025977414 EG Annotated Anodyne NC(=O)[C@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1 ZINC000025977419 EG Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025989158 EG Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025989166 EG Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025989172 EG Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025989181 EG Annotated Anodyne O=C(c1ccc(Br)cc1)c1ccc2n1CC[C@H]2C(=O)O ZINC000025991992 EG Annotated Anodyne O=C(c1ccc(Br)cc1)c1ccc2n1CC[C@@H]2C(=O)O ZINC000025992000 EG Annotated Anodyne COc1ccc(OC)c(Sc2ccc(NC3=NCCN3)cc2)c1 ZINC000025999090 EG Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255219298 EG Annotated Anodyne CC(=O)C1=CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000255272402 EG Annotated Mild CC(=O)C1=CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000255272403 EG Annotated Mild CC(=O)C1=CC[C@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000255272404 EG Annotated Mild C[C@H]1[C@H]2CC=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32[C@H](O)N1C ZINC000255274467 EG Annotated Mild C=C[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255278179 EG Annotated Mild CNc1ncccc1CN1CCCC[C@H]1c1cc(C)n2ccnc2n1 ZINC000257286157 EG Annotated Anodyne CNc1ncccc1CN1CCCC[C@@H]1c1cc(C)n2ccnc2n1 ZINC000257286158 EG Annotated Anodyne CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/C(=O)N[C@H]1CCCNC1=O ZINC000257375170 EG Annotated Anodyne CC1=CCC[C@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@H]1CCCNC1=O ZINC000257375171 EG Annotated Anodyne C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000257379498 EG Annotated Anodyne biogenic C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCc1ccoc1 ZINC000257379499 EG Annotated Anodyne biogenic C/C=C1\[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@@H]13 ZINC000257393418 EG Annotated Anodyne C/C=C1\[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@@H]13 ZINC000257393419 EG Annotated Anodyne C/C=C1\[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000257393420 EG Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257401884 EG Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257401885 EG Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257401886 EG Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257401887 EG Annotated Mild C[C@@H]1[C@H]2C[C@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@@H]3O2 ZINC000257434990 EG Annotated Anodyne C[C@@H]1[C@H]2C[C@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000257434991 EG Annotated Anodyne C[C@@H]1[C@H]2C[C@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@@H](c1ccoc1)O[C@H]3O2 ZINC000257434992 EG Annotated Anodyne C[C@@H]1[C@H]2C[C@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@@H](c1ccoc1)O[C@@H]3O2 ZINC000257434993 EG Annotated Anodyne CN1CC[C@]2([C@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000257437520 EG Annotated Anodyne CN1CC[C@]2([C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000257437521 EG Annotated Anodyne CC[C@@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@@H]13 ZINC000257465425 EG Annotated Anodyne CC[C@@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@@H]13 ZINC000257465426 EG Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@H]2N ZINC000257491841 EG Annotated Clean C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000257520558 EG Annotated Mild C=C1[C@H]2CC(=O)[C@H]([C@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C ZINC000257531811 EG Annotated Mild C=C1[C@H]2CC(=O)[C@@H]([C@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C ZINC000257531812 EG Annotated Mild C=C1[C@H]2CC(=O)[C@@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C ZINC000257531813 EG Annotated Mild COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=C[C@H]1CCN3CCC2 ZINC000257541286 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)O[C@@H](c2ccc(OC)cc2)[C@H](C)O)cc1 ZINC000257549815 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)O[C@H](c2ccc(OC)cc2)[C@H](C)O)cc1 ZINC000257549816 EG Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@H]2OC3=O ZINC000257559964 EG Annotated Clean CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](O)[C@H]2OC3=O ZINC000257559965 EG Annotated Clean C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)C2(C)C ZINC000257568985 EG Annotated Mild C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@H]13)C2(C)C ZINC000257568986 EG Annotated Mild C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]13)C2(C)C ZINC000257568987 EG Annotated Mild C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@@H](OC(C)=O)[C@H]13)C2(C)C ZINC000257568988 EG Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@H](C)[C@@]21C ZINC000257617627 EG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@H](C)[C@]21C ZINC000257617628 EG Annotated Anodyne Cc1occc1[C@@H]1CC[C@@H]2[C@H](CC=C3C[C@H](O)[C@H](O)C[C@]32C)C1=O ZINC000257621386 EG Annotated Anodyne Cc1occc1[C@@H]1CC[C@@H]2[C@H](CC=C3C[C@H](O)[C@@H](O)C[C@@]32C)C1=O ZINC000257621387 EG Annotated Anodyne Cc1occc1[C@@H]1CC[C@@H]2[C@H](CC=C3C[C@H](O)[C@H](O)C[C@@]32C)C1=O ZINC000257621388 EG Annotated Anodyne Cc1occc1[C@@H]1CC[C@@H]2[C@H](CC=C3C[C@H](O)[C@@H](O)C[C@]32C)C1=O ZINC000257621389 EG Annotated Anodyne CCOC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 ZINC000026002330 EG Annotated Anodyne Clc1ccc(CO[C@@]2(C3=NCCN3)COc3ccccc3O2)cc1 ZINC000026003358 EG Annotated Anodyne Clc1ccc(CO[C@]2(C3=NCCN3)COc3ccccc3O2)cc1 ZINC000026003365 EG Annotated Anodyne CCOc1ccccc1NC(=O)[C@@H](CN(CC)CC)N(CC)CC ZINC000026005436 EG Annotated Anodyne CCOc1ccccc1NC(=O)[C@H](CN(CC)CC)N(CC)CC ZINC000026005445 EG Annotated Anodyne CCCN(CC)C[C@H](C(=O)Nc1ccccc1OC)N(CC)CCC ZINC000026005725 EG Annotated Anodyne CCCN(CC)C[C@@H](C(=O)Nc1ccccc1OC)N(CC)CCC ZINC000026005730 EG Annotated Anodyne COC(=O)[C@@H]1CC2=C([C@@H](c3ccccc3)N1)N(C)c1ccccc1C2 ZINC000026029326 EG Annotated Anodyne COC(=O)[C@H]1CC2=C([C@@H](c3ccccc3)N1)N(C)c1ccccc1C2 ZINC000026029334 EG Annotated Anodyne COC(=O)[C@@H]1CC2=C([C@H](c3ccccc3)N1)N(C)c1ccccc1C2 ZINC000026029342 EG Annotated Anodyne COC(=O)[C@H]1CC2=C([C@H](c3ccccc3)N1)N(C)c1ccccc1C2 ZINC000026029349 EG Annotated Anodyne CCN(CC)Cc1c(O)ccc2c(CCCCC(=O)O)cc(=O)oc12 ZINC000026150773 EG Annotated Clean CN(C)CC/N=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000026151069 EG Annotated Mild CN(C)/C(=N\C#N)C1=CC(C)(C)Oc2ccc(Br)cc21 ZINC000026155121 EG Annotated Mild O=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(Cl)c2N1 ZINC000026163138 EG Annotated Anodyne O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2CCCc3cc(F)cc1c32 ZINC000026164971 EG Annotated Anodyne O=C(Nc1ccccn1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 ZINC000026165521 EG Annotated Anodyne Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Cc4cccc2c43)no1 ZINC000026169001 EG Annotated Anodyne Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Oc4cccc2c43)no1 ZINC000026169479 EG Annotated Anodyne Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCCCC1)C(C)(C)C2 ZINC000026171543 EG Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCCCC1)C(C)(C)C2 ZINC000026171547 EG Annotated Clean O=C(Nc1ccc(F)cc1F)[C@@H]1C(=O)N2CCSc3cccc1c32 ZINC000026173701 EG Annotated Anodyne O=C1NCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3 ZINC000026181812 EG Annotated Anodyne O=C(O)c1cn(-c2nccs2)c2nc(-c3ccccc3)ccc2c1=O ZINC000026185499 EG Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@@H](C)CN(C)C ZINC000026189850 EG Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@H](C)CN(C)C ZINC000026189853 EG Annotated Anodyne Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@@H](C)CN(C)C ZINC000026189857 EG Annotated Anodyne Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@H](C)CN(C)C ZINC000026189860 EG Annotated Anodyne CCn1c2cc(Cl)c(N)cc2c(=O)c2c(OC)cc(OC)cc21 ZINC000026257100 EG Annotated Bother CC(C)CNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000026258088 EG Annotated Anodyne CCN(CC)CCn1c(Cn2nnc3ccccc32)nc2ccccc21 ZINC000026260294 EG Annotated Anodyne CCN(CC)c1cc2c(cc1N)c(=O)c1c(O)cc(O)cc1n2CC ZINC000026262513 EG Annotated Bother CNC(=O)C(CCn1ccnc1C)(c1ccccc1)c1ccccc1 ZINC000026264553 EG Annotated Anodyne Cc1cc(C[C@@H](C(=O)O)c2cn(CCCC(C)C)cn2)cnc1N ZINC000026266469 EG Annotated Anodyne Cc1cc(C[C@H](C(=O)O)c2cn(CCCC(C)C)cn2)cnc1N ZINC000026266476 EG Annotated Anodyne C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(N=[N+]=[N-])ccc3O)CCN12 ZINC000026271156 EG Annotated Mild O=[N+]([O-])c1ccc(SC2CCCCC2)c([C@H](O)P(=O)(O)O)c1 ZINC000026271386 EG Annotated Bother O=[N+]([O-])c1ccc(SC2CCCCC2)c([C@@H](O)P(=O)(O)O)c1 ZINC000026271392 EG Annotated Bother CN(C)CC[C@@H]1CN(C)C(=S)c2cc(C(F)(F)F)ccc2O1 ZINC000026277605 EG Annotated Anodyne CN(C)CC[C@H]1CN(C)C(=S)c2cc(C(F)(F)F)ccc2O1 ZINC000026277611 EG Annotated Anodyne CC[C@@H](C)NC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000026277764 EG Annotated Anodyne CC[C@H](C)NC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000026277770 EG Annotated Anodyne CCCCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000026278379 EG Annotated Anodyne Cc1nccn1CCCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000026280158 EG Annotated Anodyne Cc1nccn1C[C@H](C)C(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000026280531 EG Annotated Anodyne Cc1nccn1C[C@@H](C)C(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000026280538 EG Annotated Anodyne CC(C)(C)CNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000026281613 EG Annotated Anodyne CN1C[C@@H](CCN2CCC2)Oc2ccc(C(F)(F)F)cc2C1=S ZINC000026284507 EG Annotated Anodyne CN1C[C@H](CCN2CCC2)Oc2ccc(C(F)(F)F)cc2C1=S ZINC000026284512 EG Annotated Anodyne CN(C)CC[C@@H]1CN(C)C(=S)c2cc(-c3ccccc3)cnc2O1 ZINC000026287786 EG Annotated Anodyne CN(C)CC[C@H]1CN(C)C(=S)c2cc(-c3ccccc3)cnc2O1 ZINC000026287791 EG Annotated Anodyne CN(C)CCN1C(=O)c2cccc3nc(-c4ccccc4)cc(c23)C1=O ZINC000026288951 EG Annotated Anodyne CCN(CC)c1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12 ZINC000026296645 EG Annotated Anodyne Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 ZINC000026377166 EG Annotated Anodyne CCc1nnc2c(N(C(C)=O)C(C)C)nc3ccc(Cl)cc3n12 ZINC000026377370 EG Annotated Anodyne CC(=O)N(c1nc2cc(Cl)c(Cl)cc2n2cnnc12)C(C)C ZINC000026378324 EG Annotated Anodyne Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3C(F)(F)F)cc1 ZINC000026380405 EG Annotated Clean Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3C(F)(F)F)cc1 ZINC000026380407 EG Annotated Clean CCCCCO/N=C/c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000026383981 EG Annotated Mild Oc1ccc([C@@H]2CNCCc3c(Cl)c(O)c(O)c(Cl)c32)cc1 ZINC000026388883 EG Annotated Clean Oc1ccc([C@H]2CNCCc3c(Cl)c(O)c(O)c(Cl)c32)cc1 ZINC000026388886 EG Annotated Clean CC(C)OP(=O)(OC(C)C)C(Cl)(Cl)P(=O)(O)O ZINC000026391549 EG Annotated Anodyne CC(C)(C(=O)O)c1ccc2c(c1)OC[C@H](Cc1cccc(F)c1)[C@H]2O ZINC000026393987 EG Annotated Anodyne OCC(CO)NCCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026400302 EG Annotated Bother C[S@@](=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1 ZINC000026401242 EG Annotated Anodyne C[S@](=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1 ZINC000026401247 EG Annotated Anodyne CSc1ccc(C(=O)c2cc(CC(=O)O)cc3c2OCC3)cc1 ZINC000026401830 EG Annotated Anodyne C[C@]1(CF)C=C(/C(S)=N\CCC#N)c2cc([N+](=O)[O-])ccc2O1 ZINC000026402326 EG Annotated Mild C[C@@]1(CF)C=C(/C(S)=N\CCC#N)c2cc([N+](=O)[O-])ccc2O1 ZINC000026402329 EG Annotated Mild C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 ZINC000026403980 EG Annotated Bother CNC(=S)C1=C[C@@](C)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 ZINC000026404255 EG Annotated Bother CNC(=S)C1=C[C@](C)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 ZINC000026404256 EG Annotated Bother CC(C)O[P@@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OC(C)C ZINC000026404395 EG Annotated Anodyne COc1ccc(NC(=O)OC/C=C(\C)C2=CC(=O)C(C)(C)O2)cc1 ZINC000026473015 EG Annotated Mild COc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3=CC2=O ZINC000026473532 EG Annotated Mild Cc1cc([C@@H]2[C@@H](COC(=S)Oc3ccccc3)CCN2C)on1 ZINC000026474074 EG Annotated Anodyne Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3CCCCNC3=O)c2c1C ZINC000026477357 EG Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)N(C)c2ccc(Cl)cc2)cc1 ZINC000026480278 EG Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Oc2ccc(Cl)cc2)cc1 ZINC000026482357 EG Annotated Mild CCCCCC[C@@H](O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000026485253 EG Annotated Mild CCCCCC[C@H](O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000026485258 EG Annotated Mild Cc1cc(CCCOc2c(C)cc(-c3noc(N)n3)cc2C)on1 ZINC000026488899 EG Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-c3noc(O)n3)cc2C)on1 ZINC000026492460 EG Annotated Anodyne CCN(CC)c1ncnc2c(Br)c(-c3ccccc3)nn12 ZINC000026496811 EG Annotated Anodyne O=C1C(Nc2ccc(Br)cc2)=CC(=O)c2ncccc21 ZINC000026497550 EG Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnoc3)c2cn1)c1ccccc1 ZINC000261072046 EG Annotated Anodyne CSc1nn(-c2ccccc2)c2cc(N3C[C@H]4C[C@H]3CN4)ccc12 ZINC000261074038 EG Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@](C)(O)C3)cc1 ZINC000261085374 EG Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@](C)(O)C3)cc1 ZINC000261085375 EG Annotated Anodyne C[C@H]1CN(c2nccnn2)CC[C@H]1Oc1cc(Cl)ccc1Cl ZINC000261088259 EG Annotated Anodyne C[C@@H]1CN(c2nccnn2)CC[C@H]1Oc1cc(Cl)ccc1Cl ZINC000261088260 EG Annotated Anodyne N#CCC(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)o1 ZINC000261106427 EG Annotated Reactive aggregator C[C@@H](NC(=O)Nc1cc2[nH]nc(C(C)(C)O)c2cn1)c1ccccc1 ZINC000261107374 EG Annotated Anodyne Cc1cc(Oc2ncccc2F)ccc1-c1c(C)c(O)nc(=O)n1C ZINC000261113550 EG Annotated Anodyne Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)C1CC1 ZINC000261118944 EG Annotated Anodyne O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccc(O)c1 ZINC000261123414 EG Annotated Clean COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@H]21 ZINC000261126411 EG Annotated Mild Cc1cc(NC(=O)C2CC2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 ZINC000261131630 EG Annotated Anodyne CN(C)C(=S)N=c1ssc(=S)n1Cc1ccccc1 ZINC000261147760 EG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)n1 ZINC000263590234 EG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)n1 ZINC000263590235 EG Annotated Anodyne C=C(C)[C@@H]1C(=O)C=C(C)C(=O)C[C@H](C(=C)C)CCC2=C[C@H]1OC2=O ZINC000263590397 EG Annotated Mild COc1ccc(-c2cc(C(=O)NN=Cc3ccc(C)s3)[nH]n2)cc1 ZINC000263590450 EG Annotated Reactive COc1ccc([C@@H]2C[C@@H]3CN(C4CCCCC4)C(=O)[C@@H]3N2C)cc1 ZINC000263590576 EG Annotated Anodyne COc1ccc([C@@H]2C[C@@H]3CN(C4CCCCC4)C(=O)[C@H]3N2C)cc1 ZINC000263590577 EG Annotated Anodyne COc1ccc([C@@H]2C[C@H]3CN(C4CCCCC4)C(=O)[C@H]3N2C)cc1 ZINC000263590578 EG Annotated Anodyne N#Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1 ZINC000263590597 EG Annotated Mild N#Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1 ZINC000263590598 EG Annotated Mild COc1ccc(CNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1 ZINC000263590655 EG Annotated Anodyne COc1ccc(CNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1 ZINC000263590656 EG Annotated Anodyne N#Cc1cccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)c1 ZINC000263590681 EG Annotated Mild N#Cc1cccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)c1 ZINC000263590682 EG Annotated Mild Cc1ccc(CNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc1 ZINC000263590922 EG Annotated Anodyne Cc1ccc(CNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc1 ZINC000263590923 EG Annotated Anodyne COc1ccc([C@H]2CCc3cc4c(cc3C2=NO)OCO4)cc1OC ZINC000263591175 EG Annotated Mild COc1ccc([C@@H]2CCc3cc4c(cc3C2=NO)OCO4)cc1OC ZINC000263591176 EG Annotated Mild CCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 ZINC000263591207 EG Annotated Mild COc1ccc(N=c2scc(C)n2CCCN2CCCC2=O)cc1 ZINC000263591964 EG Annotated Anodyne Cc1cccc(N=c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)n2O)c1 ZINC000263592014 EG Annotated Bother CC(=O)c1cccc(N2Cc3ccccc3C2=NC(=O)CCl)c1 ZINC000263592057 EG Annotated Reactive CC1(C)[C@@H]2C/C(=N\O)[C@@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000263592063 EG Annotated Mild CN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccco1 ZINC000263592076 EG Annotated Mild CN=c1scc(-c2ccc(OC)cc2)n1/N=C(\C)c1cccnc1 ZINC000263592078 EG Annotated Mild CC(C)N=c1scc(-c2ccco2)n1N/C=C1/C=CC(=O)C(O)=C1 ZINC000263592082 EG Annotated Mild Cc1c(Cl)cccc1N=c1c([N+](=O)[O-])nn(-c2ccccc2)n1O ZINC000263592096 EG Annotated Bother CCN=c1scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1 ZINC000263592097 EG Annotated Mild COc1ccc(C(=O)N=c2sc3c(C)ccc(OC)c3n2C)cc1 ZINC000263592279 EG Annotated Anodyne Cc1nc2c(s1)-c1nc(N=C3C=C([N+](=O)[O-])C=CC3)ncc1CC2 ZINC000263620316 EG Annotated Mild in-vitro CNCc1ccc(N2CCCN(C(=O)CCC3CCCC3)C2)cc1 ZINC000263620411 EG Annotated Clean C=CC1=CC[C@H]2[C@@H](C[C@@H](O)[C@@]3(O)[C@@](C)(C(=O)O)CCC[C@]23C)[C@H]1C ZINC000263620843 EG Annotated Anodyne CNCc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1 ZINC000263621134 EG Annotated Clean O=C1CCCCC=CCCNC(=O)c2c(O)cc(O)c(Cl)c2C1 ZINC000263621140 EG Annotated Anodyne in-vitro C[C@]12CC=C3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@@H]1[C@H]1C=C[C@H]2C(=O)O1 ZINC000263635796 EG Annotated Anodyne C[C@]12CC=C3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]1[C@H]1C=C[C@H]2C(=O)O1 ZINC000263635797 EG Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]1(C)[C@H]3C=C[C@@H](OC3=O)[C@@H]21 ZINC000263635798 EG Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@@H]2[C@H]2C=C[C@H]1C(=O)O2 ZINC000263635799 EG Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000263636273 EG Annotated Mild O=C1C(Nc2ccc(OC(F)(F)F)cc2)=CC(=O)c2ncccc21 ZINC000026503024 EG Annotated Mild Fc1ccc([C@@H]2NCCO[C@@]23COC[C@H](c2ccccc2)C3)cc1 ZINC000026567105 EG Annotated Anodyne Fc1ccc([C@@H]2NCCO[C@]23COC[C@H](c2ccccc2)C3)cc1 ZINC000026567109 EG Annotated Anodyne C[C@@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1 ZINC000026569656 EG Annotated Reactive C[C@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1 ZINC000026569658 EG Annotated Reactive CCCCCn1ncc2c(N)c(C(=O)OCCC3CC3)c(C)nc21 ZINC000026573903 EG Annotated Anodyne NC(=O)N1c2ccccc2C[C@@H](OC(=O)CCl)c2ccccc21 ZINC000026575047 EG Annotated Reactive NC(=O)N1c2ccccc2C[C@H](OC(=O)CCl)c2ccccc21 ZINC000026575048 EG Annotated Reactive O=C1C=C[C@H]([C@@H]2c3ccccc3CCN2C(=O)OCc2ccccc2)O1 ZINC000026576170 EG Annotated Anodyne CC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1 ZINC000026576368 EG Annotated Anodyne COc1ccc2c(c1)c1c(n2C)CC[C@]2(O)c3c(C=O)cccc3[C@@H]12 ZINC000026576493 EG Annotated Anodyne COc1ccc2c(c1)c1c(n2C)CC[C@@]2(O)c3c(C=O)cccc3[C@@H]12 ZINC000026576494 EG Annotated Anodyne COc1ccc2c(c1)c1c(n2C)CC[C@]2(O)c3c(C=O)cccc3[C@H]12 ZINC000026576495 EG Annotated Anodyne COc1ccc2c(c1)c1c(n2C)CC[C@@]2(O)c3c(C=O)cccc3[C@H]12 ZINC000026576496 EG Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CCC(=O)[C@@H]2CCC1=CCOC1=O ZINC000026576726 EG Annotated Anodyne O=C1C=C[C@@H]([C@@H]2c3ccccc3CCN2C(=O)OCc2ccccc2)O1 ZINC000026576770 EG Annotated Anodyne C=CCN(CC=C)C(=O)c1cnc2c(cnn2CCCCC)c1N ZINC000026577048 EG Annotated Mild COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1CC=C2 ZINC000026577896 EG Annotated Anodyne COc1ccc2c(c1)c1c(n2C)[C@@]2(O)c3c(C=O)cccc3[C@H]2CC1 ZINC000026578240 EG Annotated Anodyne COc1ccc2c(c1)c1c(n2C)[C@@]2(O)c3c(C=O)cccc3[C@@H]2CC1 ZINC000026578241 EG Annotated Anodyne COc1ccc2c(c1)c1c(n2C)[C@]2(O)c3c(C=O)cccc3[C@H]2CC1 ZINC000026578242 EG Annotated Anodyne COc1ccc2c(c1)c1c(n2C)[C@]2(O)c3c(C=O)cccc3[C@@H]2CC1 ZINC000026578243 EG Annotated Anodyne O=C1CCC(c2cn(Cc3ccccc3)c(-c3ccccc3)n2)=NN1 ZINC000026641687 EG Annotated Anodyne O=c1ccc(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n[nH]1 ZINC000026644643 EG Annotated Anodyne c1ccc2c(c1)[C@H]1CC(c3cocn3)(c3cocn3)[C@@H]2c2cccc[n+]21 ZINC000026646552 EG Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3cocn3)(c3cocn3)[C@H]2c2cccc[n+]21 ZINC000026646557 EG Annotated Anodyne CCOC(=O)C(=O)/C=C\C(SCc1ccccc1)=C(/O)OCC ZINC000026660011 EG Annotated Mild Cc1ccc(N2CCN(c3nc4ccccc4nc3C#N)CC2)cc1 ZINC000026662039 EG Annotated Mild O=C(N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1)C(F)(F)F ZINC000026663235 EG Annotated Anodyne O=C(N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1)C(F)(F)F ZINC000026663241 EG Annotated Anodyne CCOC(=O)/C(=C/C=C(/Sc1ccccc1)C(=O)OCC)N(C)C ZINC000026663457 EG Annotated Anodyne CCOC(=O)/C(=C/C=C(/C(=O)OCC)N(C)C)Sc1ccccc1 ZINC000026663463 EG Annotated Anodyne CCOC(=O)/C(=C\C=C(/C(=O)OCC)N(C)C)Sc1ccccc1 ZINC000026663469 EG Annotated Anodyne CCOC(=O)/C(=C/C=C(\C(=O)OCC)N(C)C)Sc1ccccc1 ZINC000026663475 EG Annotated Anodyne O=S(=O)(CC#CCCCCC#CCO)c1ccc2ccccc2c1 ZINC000026665748 EG Annotated Mild COc1ccc(-c2cc(/C=C3\CN4CCC3CC4)on2)cc1OC ZINC000026666149 EG Annotated Anodyne O=S(=O)(CC#CCCCCC#CCO)c1cccc2ccccc12 ZINC000026670493 EG Annotated Mild CCN(CC)Cc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000026672759 EG Annotated Clean COc1ccc(-c2cc(/C=C3/CN4CCC3CC4)on2)cc1OC ZINC000026673836 EG Annotated Anodyne C[C@@H](c1ccc(N)cc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000026717774 EG Annotated Anodyne O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1C1Cc2ccccc2C1 ZINC000026717861 EG Annotated Anodyne Fc1ccc(F)c(-c2csc(CC(=S)N3CCOCC3)n2)c1 ZINC000026717939 EG Annotated Anodyne COc1ccc2c(c1)[C@@H]1O[C@@H]1Cc1cc(OC)c(OC)c(OC)c1-2 ZINC000026727323 EG Annotated Anodyne C[C@H](c1ccc(N)cc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000026729467 EG Annotated Anodyne O=C1CCCCN1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000026730233 EG Annotated Bother COc1ccc2cc1Oc1ccc(cc1)[C@H]1O[C@H]1COC(=O)CC2 ZINC000026737775 EG Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)[C@H]1O[C@@H]1COC(=O)CC2 ZINC000026737783 EG Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)[C@@H]1O[C@H]1COC(=O)CC2 ZINC000026737789 EG Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)[C@@H]1O[C@@H]1COC(=O)CC2 ZINC000026737794 EG Annotated Anodyne O=C1C=C(SCCC(=O)N2CCCCC2)C(=O)c2ccccc21 ZINC000026738260 EG Annotated Mild CCN(CC)CCNC(=O)C1=C(c2ccccc2)c2ccccc2C1=O ZINC000026739362 EG Annotated Mild COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 ZINC000026752244 EG Annotated Anodyne COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 ZINC000026752248 EG Annotated Anodyne COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 ZINC000026752252 EG Annotated Anodyne COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 ZINC000026752257 EG Annotated Anodyne Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCCCl ZINC000026820118 EG Annotated Reactive CC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](N2CCCCC2=O)[C@@H]1O ZINC000026821433 EG Annotated Anodyne C[n+]1c(-c2ccc(/C=N/Nc3ccccn3)cc2)cn2ccccc21 ZINC000026826434 EG Annotated Mild C[n+]1c(-c2ccc(/C=N/Nc3nccs3)cc2)cn2ccsc21 ZINC000026827367 EG Annotated Mild O=C1C(N2CC2)=CC(=O)c2nc(-c3ccc4ccccc4c3)ccc21 ZINC000026828286 EG Annotated Mild CC1(C)Oc2cccc(C(F)(F)F)c2[C@@H](N2CCCCC2=O)[C@@H]1O ZINC000026829274 EG Annotated Anodyne COc1cccc2c1cc1c3c(cccc32)C(=O)N(CCN(C)C)C1=O ZINC000026831188 EG Annotated Bother CCN(CC)CCN[C@@H]1c2cccnc2COc2c(OC)cccc21 ZINC000026834171 EG Annotated Anodyne CCN(CC)CCN[C@H]1c2cccnc2COc2c(OC)cccc21 ZINC000026834172 EG Annotated Anodyne CCN(CC)CCN[C@H]1c2ccc(OC)cc2OCc2ncccc21 ZINC000026835444 EG Annotated Anodyne CCN(CC)CCN[C@@H]1c2ccc(OC)cc2OCc2ncccc21 ZINC000026835448 EG Annotated Anodyne CCN(CC)CCN[C@H]1c2cc(C)ccc2OCc2ncccc21 ZINC000026836150 EG Annotated Anodyne CCN(CC)CCN[C@@H]1c2cc(C)ccc2OCc2ncccc21 ZINC000026836154 EG Annotated Anodyne CCN(CC)CCN[C@H]1c2cc(F)ccc2OCc2ncccc21 ZINC000026836428 EG Annotated Anodyne CCN(CC)CCN[C@@H]1c2cc(F)ccc2OCc2ncccc21 ZINC000026836432 EG Annotated Anodyne CCN1CCC[C@@H](c2cccc(S(=O)(=O)OC(F)(F)F)c2)C1 ZINC000026837640 EG Annotated Mild CN1CCCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1 ZINC000026839565 EG Annotated Anodyne COC(=O)CCCNC(=O)c1cc2c(cn1)sc1ccccc12 ZINC000026840687 EG Annotated Anodyne CCCNC[C@@H](O)CO/N=C1\CCCOc2ccc3ccccc3c21 ZINC000026850205 EG Annotated Mild CCCNC[C@H](O)CO/N=C1\CCCOc2ccc3ccccc3c21 ZINC000026850212 EG Annotated Mild CCOC(=O)Nc1cc2c(c(N)n1)N=C(Cc1ccccc1)[C@H](C)N2 ZINC000026935116 EG Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(Cc1ccccc1)[C@@H](C)N2 ZINC000026935120 EG Annotated Anodyne CCCNC[C@@H](O)CO/N=C1\CCCOc2c1ccc1ccccc21 ZINC000026936148 EG Annotated Mild CCCNC[C@H](O)CO/N=C1\CCCOc2c1ccc1ccccc21 ZINC000026936153 EG Annotated Mild CN1[C@H]2CC[C@@H]1CC(NC(=O)c1c(Cl)ccc3c1OC(C)(C)C3)C2 ZINC000026936368 EG Annotated Anodyne CC(=O)OC[C@H]1CC[C@]2(O)CC3(CC[C@]12C)SCCCS3 ZINC000026945988 EG Annotated Anodyne Cc1cc2c(c(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c1)OC(C)(C)C2 ZINC000026949699 EG Annotated Anodyne CC(C)OC(=O)NCCOc1ccc(C[C@@H]2CCCC[C@H]2O)cc1 ZINC000026959048 EG Annotated Anodyne CCC/C(=N\N=C(/S)N1CC2CCC(CC2)C1)c1cccnn1 ZINC000026973165 EG Annotated Mild O=c1c(CNc2ccccc2)c[nH]c2nc(N3CCCC3)c(F)cc12 ZINC000026981945 EG Annotated Anodyne c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@@H]1C[C@H]21 ZINC000027078902 EG Annotated Mild c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@H]1C[C@H]21 ZINC000027078909 EG Annotated Mild c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@@H]1C[C@@H]21 ZINC000027078914 EG Annotated Mild CCC(C)(C)/N=C(\NC#N)Nc1cc(Br)cc(C#N)c1 ZINC000027079260 EG Annotated Mild CCOc1ccccc1/N=C1/C(=O)c2cncnc2C(O)=C1Cl ZINC000027081120 EG Annotated Mild O=C1C[C@H](c2ccncc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027085601 EG Annotated Anodyne O=C1C[C@@H](c2ccncc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027085608 EG Annotated Anodyne CCCCCN(C)C(=N)N/N=C/c1c[nH]c2c(C)cc(OC)cc12 ZINC000027093880 EG Annotated Mild C/C(=C\Cn1oc(=O)nc1O)c1cccc(OCc2ccccc2)c1 ZINC000027099830 EG Annotated Anodyne O=C1CC2(CCCC2)C(=O)N1OCc1ccccc1C(F)(F)F ZINC000027103497 EG Annotated Anodyne CC1(C)CC(NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O ZINC000027103819 EG Annotated Anodyne C[C@@H]1CC(=O)NN=C1/C=C/c1ccc(-n2cnc3c2CCCC3)cc1 ZINC000027104173 EG Annotated Anodyne C[C@H]1CC(=O)NN=C1/C=C/c1ccc(-n2cnc3c2CCCC3)cc1 ZINC000027104177 EG Annotated Anodyne O=C1CC2(CCCC2)C(=O)N1OCc1ccc(C(F)(F)F)cc1 ZINC000027105666 EG Annotated Anodyne O=C1CC2(CCCC2)C(=O)N1OCc1ccccc1Br ZINC000027105904 EG Annotated Anodyne Oc1cc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)ccc1Cl ZINC000027106039 EG Annotated Clean Oc1cc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)ccc1Cl ZINC000027106040 EG Annotated Clean COc1cc2c3c(cc4cc(OC)c(O)c(OC)c4c3c1)N(C)C2=O ZINC000027106666 EG Annotated Bother O=C1C(Cl)=C(Nc2ccccc2)C(=O)c2[nH]c(C(F)(F)F)nc21 ZINC000027109636 EG Annotated Mild CCN(CC)C/C(O)=N/c1nc2cc3nc(N)sc3cc2s1 ZINC000027109660 EG Annotated Mild O=C1C(Cl)=C(Nc2ccc(C(F)(F)F)cc2)C(=O)c2[nH]cnc21 ZINC000027110248 EG Annotated Mild O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000027110253 EG Annotated Anodyne O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000027110255 EG Annotated Anodyne Cc1ccc([C@H](O)[C@H]2CN(C)CC[C@@]2(O)c2ccc(C)cc2)cc1 ZINC000027180416 EG Annotated Anodyne COc1ccccc1-c1oc2c(CC(=O)O)cccc2c(=O)c1OC ZINC000027185772 EG Annotated Anodyne COc1cccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2OC)c1 ZINC000027186997 EG Annotated Anodyne CC(C)(C)c1cc(-c2nsc(N=C(N)N)n2)cc(C(C)(C)C)c1O ZINC000027194174 EG Annotated Mild Clc1ccccc1-c1ccc(N2CCC3(CC2)OCCO3)nn1 ZINC000027203813 EG Annotated Anodyne CCC1=C(C)N[C@@H](OC)C(CCCN2C(=O)c3ccccc3C2=O)=C1 ZINC000027206969 EG Annotated Anodyne CCC1=C(C)N[C@H](OC)C(CCCN2C(=O)c3ccccc3C2=O)=C1 ZINC000027206974 EG Annotated Anodyne CCCCc1nc2[nH]ncc2c2nc(-c3ccc(OCC)cc3)nn12 ZINC000027211344 EG Annotated Anodyne COS(=O)(=O)c1cccc(-c2ccoc2C2=CN3CCC2CC3)c1 ZINC000027212515 EG Annotated Mild O=C1CN2Cc3c(sc4c3CCC[C@@H]4Cc3ccccc3)N=C2N1 ZINC000027212724 EG Annotated Anodyne Cc1ccc(NNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 ZINC000027212877 EG Annotated Reactive O=C(O)C[C@@H]1CCc2cc(NCCCC3CCNCC3)ccc2C1=O ZINC000027300657 EG Annotated Anodyne O=C(O)C[C@H]1CCc2cc(NCCCC3CCNCC3)ccc2C1=O ZINC000027300663 EG Annotated Anodyne Cc1cccc(NNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1 ZINC000027304338 EG Annotated Reactive C=CCN1CCc2c(cc(O)c(O)c2F)[C@H](c2ccc(O)cc2)C1 ZINC000027310711 EG Annotated Mild C=CCN1CCc2c(cc(O)c(O)c2F)[C@@H](c2ccc(O)cc2)C1 ZINC000027310716 EG Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2C(F)(F)F)C[C@H]1C ZINC000027324386 EG Annotated Mild C[n+]1c(-c2cccc(C(=O)O)c2)c2cc(N)ccc2c2ccc(N)cc21 ZINC000027325022 EG Annotated Bother COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2Br)C[C@H]1C ZINC000027325869 EG Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000027327668 EG Annotated Mild COC(=O)Nc1nc2cc(C(=O)c3cc(CC#N)cs3)ccc2[nH]1 ZINC000027332286 EG Annotated Mild COc1cc2c(c(OC)c1OC)[C@H](c1cccc(OC)c(=O)c1)CC2 ZINC000027407756 EG Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@H](c1cccc(OC)c(=O)c1)CC2 ZINC000027407760 EG Annotated Anodyne CNc1cccc([C@@H]2CCc3cc(OC)c(OC)c(OC)c32)cc1=O ZINC000027408010 EG Annotated Anodyne CNc1cccc([C@H]2CCc3cc(OC)c(OC)c(OC)c32)cc1=O ZINC000027408015 EG Annotated Anodyne CC(C)c1csc(/C=C/c2ccn3c(=O)c(C(=O)O)cnc3c2)n1 ZINC000027421318 EG Annotated Anodyne COc1ccc(/C(=N\O)c2cccc(NS(=O)(=O)C(C)C)c2)cc1 ZINC000027422044 EG Annotated Mild CC(C)Oc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 ZINC000027426652 EG Annotated Mild CCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 ZINC000027426895 EG Annotated Mild COc1nc(N(C)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000027427482 EG Annotated Anodyne CC(C)/C=C/C(=O)[C@@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 ZINC000027427928 EG Annotated Mild CC(C)/C=C/C(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1 ZINC000027427933 EG Annotated Mild CC(C)/C=C/C(=O)[C@@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1 ZINC000027427938 EG Annotated Mild CC(C)/C=C/C(=O)[C@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1 ZINC000027427943 EG Annotated Mild CCN(CC)c1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 ZINC000027429227 EG Annotated Mild CC(C)COc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 ZINC000027429287 EG Annotated Mild C[n+]1cc2c3cc4c(cc3ccc2c2ccc3c(c21)OCO3)OCO4 ZINC000027430503 EG Annotated Bother Cc1c2c(nn1Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C=N2 ZINC000027434262 EG Annotated Anodyne Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccc(F)cc1 ZINC000027443149 EG Annotated Mild CCc1nc#cn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000027518325 EG Annotated Anodyne CCc1nc#cn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000027518326 EG Annotated Anodyne CCCCOc1nc(C[C@@]2(c3ccccc3)CCCO2)cc(=O)n1C ZINC000027521128 EG Annotated Anodyne CCCCOc1nc(C[C@]2(c3ccccc3)CCCO2)cc(=O)n1C ZINC000027521131 EG Annotated Anodyne CCOC(=O)COc1ccccc1-c1nc(C)c(-c2cccnc2)[nH]1 ZINC000027522082 EG Annotated Anodyne CC(=O)OCc1c(COC(C)=O)c(-c2cccs2)n2c1CCC2 ZINC000027523591 EG Annotated Anodyne Cc1ccc(C(F)(F)F)cc1[C@H](C)S(=O)(=O)c1cccc[n+]1[O-] ZINC000027524682 EG Annotated Anodyne Cc1ccc(C(F)(F)F)cc1[C@@H](C)S(=O)(=O)c1cccc[n+]1[O-] ZINC000027524683 EG Annotated Anodyne CC1CCN(c2nc3sc4c(Cl)nnnc4c3cc2C#N)CC1 ZINC000027525688 EG Annotated Mild C[C@@H](c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc[n+]1[O-] ZINC000027526495 EG Annotated Anodyne C[C@H](c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc[n+]1[O-] ZINC000027526497 EG Annotated Anodyne Cc1c(Cl)ccc([C@H](C)S(=O)(=O)c2cccc[n+]2[O-])c1Cl ZINC000027526947 EG Annotated Anodyne Cc1c(Cl)ccc([C@@H](C)S(=O)(=O)c2cccc[n+]2[O-])c1Cl ZINC000027526948 EG Annotated Anodyne CCOC(=O)Nc1cc(N)c2c(n1)N[C@@H](C)C(c1ccccc1)=N2 ZINC000027548557 EG Annotated Anodyne COc1cc2nc(SCc3ccccc3)oc(=O)c2cc1OC ZINC000027548746 EG Annotated Anodyne N/C(=N\c1nc(-c2ccccn2)cc2ccccc12)c1cnccn1 ZINC000027552622 EG Annotated Mild COc1cc2c(c(N)c1O)C/C(=C\c1cc(C)c(O)c(C)c1)C2=O ZINC000027552730 EG Annotated Mild COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000027552742 EG Annotated Mild COc1cc2c(cc1OC)C(=O)/C(=C/c1cc([N+](=O)[O-])ccc1O)C2 ZINC000027552971 EG Annotated Mild COC(=O)Cc1cccc2c(=O)c3ccc4c(c3oc12)CC(C)(C)O4 ZINC000027554397 EG Annotated Bother COc1ccc2cc3ccccc3c3c2c1C(=O)N(CCN(C)C)C3=O ZINC000027554496 EG Annotated Bother CC1(C)OC(C)(C)c2c1nnc(-c1cccc(C(F)(F)F)c1)[n+]2[O-] ZINC000027554649 EG Annotated Anodyne CS(=O)(=O)Nc1cc2c(cc1Sc1ccsc1)C(=O)CC2 ZINC000027554685 EG Annotated Anodyne CC1(C)Oc2ccc(-c3ccncc3)cc2[C@@H](n2ccccc2=O)[C@@H]1O ZINC000027554767 EG Annotated Anodyne COc1cc2c(c(N)c1OC)C(=O)/C(=C/c1cc(C)c(N)c(C)c1)C2 ZINC000027555011 EG Annotated Mild CN(C)CCN1C(=O)c2cccc3cc4ccc(C#N)cc4c(c23)C1=O ZINC000027555761 EG Annotated Mild Cc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O ZINC000027555764 EG Annotated Bother Cc1ccc2cc3ccccc3c3c2c1C(=O)N(CCN(C)C)C3=O ZINC000027555905 EG Annotated Bother COc1ccc(COc2cccc3c2CCC[C@@H]3N(O)C(N)=O)cc1 ZINC000027557187 EG Annotated Anodyne COc1ccc(COc2cccc3c2CCC[C@H]3N(O)C(N)=O)cc1 ZINC000027557189 EG Annotated Anodyne COc1ccc2c3c4c(cccc4cc2c1)C(=O)N(CCN(C)C)C3=O ZINC000027557250 EG Annotated Bother COc1cccc2c3c4c(cccc4cc12)C(=O)N(CCN(C)C)C3=O ZINC000027557997 EG Annotated Bother Oc1ccc(N(CCBr)CCBr)c(F)c1 ZINC000027558070 EG Annotated Reactive COc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O ZINC000027558669 EG Annotated Bother Nc1ccc(N(CCBr)CCBr)c(F)c1 ZINC000027558763 EG Annotated Reactive CCN(CC)[C@@H](C)CCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O ZINC000027562988 EG Annotated Anodyne CCN(CC)[C@H](C)CCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O ZINC000027562990 EG Annotated Anodyne CCN(CC)[C@@H](C)CCN1C(=O)C[C@]2(CCCc3ccccc32)C1=O ZINC000027562992 EG Annotated Anodyne CCN(CC)[C@H](C)CCN1C(=O)C[C@]2(CCCc3ccccc32)C1=O ZINC000027562994 EG Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2C=O ZINC000027563986 EG Annotated Mild C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2CO ZINC000027564109 EG Annotated Anodyne CCN(CC)[P@@](=O)(OCCc1noc2ccccc12)N(C)C ZINC000027618375 EG Annotated Anodyne CCN(CC)[P@](=O)(OCCc1noc2ccccc12)N(C)C ZINC000027618381 EG Annotated Anodyne CC(C)N(CCN(C(=O)N(C)C)c1cccc(Cl)n1)C(C)C ZINC000027620182 EG Annotated Anodyne CC(C)N(CCN(C(=O)N(C)C)c1ccc(Cl)cn1)C(C)C ZINC000027624199 EG Annotated Anodyne Cc1[nH]ccc1-c1nc(/N=C(\N)NCc2ccccc2)sc1C ZINC000027629316 EG Annotated Mild Cc1cc(-c2nc(/N=C(\N)NCc3ccccc3)sc2C)c[nH]1 ZINC000027631053 EG Annotated Mild C[C@@H](Br)COc1oc(=O)c2cc(N)ccc2c1Cl ZINC000027632814 EG Annotated Reactive C[C@H](Br)COc1oc(=O)c2cc(N)ccc2c1Cl ZINC000027632820 EG Annotated Reactive C=CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000027645218 EG Annotated Mild Cn1cccc1C(=O)CCCCOc1ccc(C2=NCCO2)cc1 ZINC000027647788 EG Annotated Anodyne N[P@](=O)(OCc1ccc(F)cc1F)N(CCCl)CCCl ZINC000027648490 EG Annotated Reactive O=C1C(CC#CCCl)C(=O)N(c2ccccc2)N1c1ccccc1 ZINC000027648691 EG Annotated Reactive CC(C)=CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O ZINC000027651077 EG Annotated Anodyne C/C(=C\c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC[C@@H](O)CO ZINC000027652532 EG Annotated Anodyne C/C(=C\c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC[C@H](O)CO ZINC000027652536 EG Annotated Anodyne COc1cc(-c2cc3nc(C)cc(S)n3n2)cc(OC)c1OC ZINC000027703599 EG Annotated Anodyne O=S(=O)(C1=C(c2ccccc2)N2CCN=C2S1)c1ccccc1 ZINC000027710022 EG Annotated Anodyne CN(C)CCCOC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 ZINC000027715117 EG Annotated Anodyne C[n+]1nn(Cc2ccccc2)c(O)c1Cc1ccc2ccccc2c1 ZINC000027715439 EG Annotated Anodyne CCOC(=O)c1c2cccccc-2c2c(OCC)oc(=O)c(C#N)c12 ZINC000027715814 EG Annotated Mild CCN(CC)CCNc1nc2c(=O)c3cc(C)ccc3[nH]c2s1 ZINC000027734777 EG Annotated Anodyne CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)c1ccc(C(C)C)cc1 ZINC000027735922 EG Annotated Anodyne CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)c1ccc(C(C)C)cc1 ZINC000027735931 EG Annotated Anodyne CCCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3ccccc23)C1 ZINC000027738309 EG Annotated Anodyne CCCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3ccccc23)C1 ZINC000027738317 EG Annotated Anodyne CCN(CC)CCNc1nc2c(=O)c3cc(F)ccc3[nH]c2s1 ZINC000027739188 EG Annotated Anodyne C[C@@H](CN1CCc2c(c(=O)oc3ccccc23)C1)N1CCCCC1 ZINC000027741983 EG Annotated Anodyne C[C@H](CN1CCc2c(c(=O)oc3ccccc23)C1)N1CCCCC1 ZINC000027741990 EG Annotated Anodyne Cc1cc2oc(=O)c3c(c2cc1C)CCN(C[C@H](C)N1CCCC1)C3 ZINC000027742455 EG Annotated Anodyne Cc1cc2oc(=O)c3c(c2cc1C)CCN(C[C@@H](C)N1CCCC1)C3 ZINC000027742463 EG Annotated Anodyne CCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1 ZINC000027744646 EG Annotated Anodyne CCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1 ZINC000027744656 EG Annotated Anodyne CCCN(C)[C@@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1 ZINC000027744665 EG Annotated Anodyne CCCN(C)[C@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1 ZINC000027744675 EG Annotated Anodyne Cc1ccc2c3c(c(=O)oc2c1)CN(C[C@H](C)N1CCCCC1)CC3 ZINC000027745154 EG Annotated Anodyne Cc1ccc2c3c(c(=O)oc2c1)CN(C[C@@H](C)N1CCCCC1)CC3 ZINC000027745162 EG Annotated Anodyne O=S1(=O)N=C(O)c2sc3ccccc3c2N1Cc1ccccc1 ZINC000027759265 EG Annotated Anodyne N=C(Nc1ccc(C(N)=O)cc1)N1Cc2cccc3c2[C@@H](CCC3)C1 ZINC000027765411 EG Annotated Anodyne N=C(Nc1ccc(C(N)=O)cc1)N1Cc2cccc3c2[C@H](CCC3)C1 ZINC000027765418 EG Annotated Anodyne CCCNC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1 ZINC000027767001 EG Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=N/C(=N/Cc1ccccc1)N2 ZINC000027767650 EG Annotated Mild N/C(=N\c1ccc([N+](=O)[O-])cc1)N1Cc2cccc3c2[C@@H](CCC3)C1 ZINC000027768847 EG Annotated Mild N/C(=N\c1ccc([N+](=O)[O-])cc1)N1Cc2cccc3c2[C@H](CCC3)C1 ZINC000027768852 EG Annotated Mild C#CCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 ZINC000027843941 EG Annotated Mild C#CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 ZINC000027843948 EG Annotated Mild COc1cc2c(cc1OC)[S@@](C)(=O)=NC(Nc1ccccc1)=N2 ZINC000027846826 EG Annotated Anodyne O=S(=O)(c1nc2cc(Cl)ccc2[nH]1)C(F)(F)C(F)(F)F ZINC000027850664 EG Annotated Anodyne NC[C@@H](CC(=O)O)c1ccc(OCc2ccc(Cl)s2)cc1 ZINC000027851617 EG Annotated Anodyne NC[C@H](CC(=O)O)c1ccc(OCc2ccc(Cl)s2)cc1 ZINC000027851624 EG Annotated Anodyne CC(C)(C)c1cc(I)c2c(c1)CNC(=O)O2 ZINC000027852783 EG Annotated Anodyne CCOC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCN(C)CC1 ZINC000027852947 EG Annotated Anodyne CCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027853955 EG Annotated Anodyne C=CCNC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1 ZINC000027856288 EG Annotated Mild C[N+](C)(C)CCO[P@](=O)(O)OCC12CC3CC(CC(C3)C1)C2 ZINC000027862674 EG Annotated Bother C[N+]1(CCOc2cccc(I)c2)CCCCC1 ZINC000027868509 EG Annotated Bother CCN(CC)CCN[C@@H]1c2cccnc2COc2c(C)cccc21 ZINC000027869842 EG Annotated Anodyne CCN(CC)CCN[C@H]1c2cccnc2COc2c(C)cccc21 ZINC000027869848 EG Annotated Anodyne CCN(CC)CCCN[C@H]1c2ccccc2OCc2ncccc21 ZINC000027869922 EG Annotated Anodyne CCN(CC)CCCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000027869930 EG Annotated Anodyne Cc1oc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1CO ZINC000027870419 EG Annotated Anodyne CC(C)=CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2 ZINC000027872877 EG Annotated Anodyne CC(C)=CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2 ZINC000027872884 EG Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2 ZINC000027872887 EG Annotated Anodyne CC(C)=CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2 ZINC000027872895 EG Annotated Anodyne CC(C)(C)OC(=O)c1ncn2c1[C@H]1CCC(=O)N1c1ccccc1-2 ZINC000027875652 EG Annotated Anodyne Cc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)oc1CO ZINC000027875691 EG Annotated Anodyne CCN(CC)C[C@@H](C)N[C@H]1c2ccccc2OCc2ncccc21 ZINC000027877827 EG Annotated Anodyne CCN(CC)C[C@H](C)N[C@H]1c2ccccc2OCc2ncccc21 ZINC000027877834 EG Annotated Anodyne CCN(CC)C[C@@H](C)N[C@@H]1c2ccccc2OCc2ncccc21 ZINC000027877841 EG Annotated Anodyne CCN(CC)C[C@H](C)N[C@@H]1c2ccccc2OCc2ncccc21 ZINC000027877847 EG Annotated Anodyne CC(C)=CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O ZINC000027882173 EG Annotated Anodyne CC(C)=CC[C@H](O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O ZINC000027882181 EG Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O ZINC000027882188 EG Annotated Anodyne CC(C)=CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O ZINC000027882196 EG Annotated Anodyne CCCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc(C(C)=O)c(O)c1 ZINC000027894936 EG Annotated Anodyne C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCc2c(ccc(O)c2O)C1 ZINC000027895716 EG Annotated Clean C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCc2c(ccc(O)c2O)C1 ZINC000027895721 EG Annotated Clean C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCc2c(ccc(O)c2O)C1 ZINC000027895729 EG Annotated Clean C[C@H](CCc1ccc(O)cc1)N[C@H]1CCc2c(ccc(O)c2O)C1 ZINC000027895735 EG Annotated Clean CC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cc(O)c(O)cc45)C(=O)C1)[C@H]32 ZINC000027898591 EG Annotated Clean O=C(c1ccccc1)c1c(Br)cc2n1CC[C@H]2C(=O)O ZINC000027899555 EG Annotated Anodyne O=C(c1ccccc1)c1c(Br)cc2n1CC[C@@H]2C(=O)O ZINC000027899557 EG Annotated Anodyne COCCCc1cc2n(c1C(=O)c1ccc(F)cc1)CC[C@@H]2C(=O)O ZINC000027977820 EG Annotated Anodyne COCCCc1cc2n(c1C(=O)c1ccc(F)cc1)CC[C@H]2C(=O)O ZINC000027977825 EG Annotated Anodyne C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCc2cc(O)c(O)cc2C1 ZINC000027979040 EG Annotated Clean C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCc2cc(O)c(O)cc2C1 ZINC000027979047 EG Annotated Clean C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCc2cc(O)c(O)cc2C1 ZINC000027979054 EG Annotated Clean C[C@H](CCc1ccc(O)cc1)N[C@H]1CCc2cc(O)c(O)cc2C1 ZINC000027979063 EG Annotated Clean Cc1cccc([C@@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)c1 ZINC000027980068 EG Annotated Anodyne Cc1cccc([C@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)c1 ZINC000027980070 EG Annotated Anodyne Cc1ccc([C@@]2(c3cccc(C(F)(F)F)c3)NC(=O)NC2=O)cc1 ZINC000027982384 EG Annotated Anodyne Cc1ccc([C@]2(c3cccc(C(F)(F)F)c3)NC(=O)NC2=O)cc1 ZINC000027982390 EG Annotated Anodyne C/C(=N\N=C(/S)N1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc12 ZINC000027983418 EG Annotated Mild C/C(=N\N=C(/S)N1C[C@H](C)O[C@H](C)C1)c1nccc2ccccc12 ZINC000027983424 EG Annotated Mild C/C(=N\N=C(/S)N1C[C@H](C)O[C@@H](C)C1)c1nccc2ccccc12 ZINC000027983434 EG Annotated Mild C[C@H](N/N=C(\S)N1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc12 ZINC000027983488 EG Annotated Mild C[C@H]1CN(/C(S)=N/N[C@@H](C)c2nccc3ccccc23)C[C@@H](C)O1 ZINC000027983493 EG Annotated Mild C[C@@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@@H](C)O1 ZINC000027983499 EG Annotated Mild C[C@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@@H](C)O1 ZINC000027983506 EG Annotated Mild Cc1ccc([C@@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)cc1 ZINC000027987808 EG Annotated Anodyne Cc1ccc([C@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)cc1 ZINC000027987814 EG Annotated Anodyne CC(C)(C)ONC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000027990971 EG Annotated Mild COc1ccc(/C=C/c2ncnc3c2ncn3C2CCOCC2)cc1 ZINC000027995552 EG Annotated Anodyne Clc1nc2c(C#Cc3ccccc3)ncnc2n1C1CCOCC1 ZINC000027995642 EG Annotated Mild O=C1NC(=S)NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000027996273 EG Annotated Anodyne O=C(c1ccco1)c1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2 ZINC000027996493 EG Annotated Anodyne O=C(c1ccco1)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2 ZINC000027996497 EG Annotated Anodyne CC(C)NCc1ccc(I)c(CNC(C)C)c1 ZINC000027997198 EG Annotated Anodyne CSc1ccc2[nH]c(O)c(C(=O)N(C)c3ccccc3)c(=O)c2c1 ZINC000028000839 EG Annotated Anodyne NC(=O)[C@@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000028004412 EG Annotated Anodyne NC(=O)[C@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000028004416 EG Annotated Anodyne Clc1ccccc1CN1CCc2c(C3CC3)nc3ncnn3c21 ZINC000028005981 EG Annotated Anodyne COc1ccc(-c2nc3nc(C)c4c(n3n2)N(C(C)(C)C)CC4)cc1 ZINC000028007556 EG Annotated Anodyne CCCCN(CCCC)CCCN1CCc2c(C)nc3ncnn3c21 ZINC000028010303 EG Annotated Anodyne COc1ccc2sc(/C(O)=N/c3nn[nH]n3)c(OC(C)(C)C)c2c1 ZINC000028014620 EG Annotated Mild CN1CCN2c3ccc(Cl)c(-c4ccccc4)c3CNC[C@H]2C1 ZINC000028017234 EG Annotated Anodyne CN(C)C(=S)CCCCCn1nc(-c2ccccc2)ccc1=O ZINC000028021206 EG Annotated Anodyne CC(C)(C)C(=O)Oc1cc2c(cc1OC(=O)C(C)(C)C)C[C@H](N)CC2 ZINC000028022213 EG Annotated Anodyne CC(C)(C)C(=O)Oc1cc2c(cc1OC(=O)C(C)(C)C)C[C@@H](N)CC2 ZINC000028022218 EG Annotated Anodyne COc1cc([C@H]2C[C@@H](OC)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000028089208 EG Annotated Anodyne COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@H]3CNCC2 ZINC000028092886 EG Annotated Clean COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@@H]3CNCC2 ZINC000028092892 EG Annotated Clean Cc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)cn1 ZINC000028094395 EG Annotated Anodyne CCOC(=O)Nc1ccc2cc3ccc(NC)c(CO)c3nc2c1 ZINC000028095680 EG Annotated Bother Cc1cccc(C(=O)C2=C(N(C)C)C(=O)NC3(CCC3)C23CCC3)c1 ZINC000028095893 EG Annotated Mild CC(C)Oc1c(/C(O)=N/c2nn[nH]n2)sc2ccc(Cl)cc12 ZINC000028096927 EG Annotated Mild Cc1ccc(N/C(O)=N/S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000028099877 EG Annotated Mild COc1cc([C@H]2C[C@H](OC)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000028101015 EG Annotated Anodyne CCNC(=S)Nc1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O ZINC000028105630 EG Annotated Anodyne S=C=Nc1ccc2nc(-c3ccc(N4CCOCC4)nc3)oc2c1 ZINC000028108117 EG Annotated Reactive O=C1NCc2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4 ZINC000028113546 EG Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@H](O)O2 ZINC000028121013 EG Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@@H](O)O2 ZINC000028121020 EG Annotated Anodyne COc1ccc(N(CC2CCCC2)C(=O)Nc2nncs2)cn1 ZINC000028130009 EG Annotated Anodyne CCNCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(C)cc1 ZINC000028218052 EG Annotated Anodyne CCNCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(C)cc1 ZINC000028218054 EG Annotated Anodyne CCNCCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC000028219506 EG Annotated Anodyne CCNCCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC000028219510 EG Annotated Anodyne Cc1ccc([C@H](C)/N=c2\c(O)c(O)\c2=N/c2ccc(C#N)cc2)cc1 ZINC000028224441 EG Annotated Mild CCOc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1 ZINC000028224620 EG Annotated Anodyne CCOc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1 ZINC000028224624 EG Annotated Anodyne CC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1c(Cl)cccc1Cl ZINC000028225459 EG Annotated Anodyne CCOc1ccc(C(=O)c2c(SC)cc(CC(=O)O)n2C)cc1 ZINC000028225608 EG Annotated Anodyne CSc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(C2CC2)cc1 ZINC000028225611 EG Annotated Anodyne Cc1cc(Cl)cc(Cl)c1C/N=c1\c(O)c(O)\c1=N/C(C)(C)C ZINC000028225639 EG Annotated Anodyne CCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CSCC2 ZINC000028228593 EG Annotated Anodyne Clc1cccc(Br)c1N(CC1CC1)C1=NCCN1 ZINC000028228642 EG Annotated Anodyne CCOc1ccc2nc([S@@](=O)Cc3cc(C)ccc3N)[nH]c2c1 ZINC000028228971 EG Annotated Anodyne CCOc1ccc2nc([S@](=O)Cc3cc(C)ccc3N)[nH]c2c1 ZINC000028228975 EG Annotated Anodyne CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1c(Cl)cccc1Cl ZINC000028229543 EG Annotated Anodyne CSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CSCC2 ZINC000028229580 EG Annotated Anodyne N=C(N)N(CC1CC1)c1c(Br)cccc1Br ZINC000028229613 EG Annotated Anodyne N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cc[nH]c23)cc1 ZINC000028231591 EG Annotated Mild Nc1nc2ccnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2n1 ZINC000028240322 EG Annotated Anodyne CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 ZINC000028242637 EG Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC3)[nH]2)c1 ZINC000028242750 EG Annotated Anodyne CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 ZINC000028245003 EG Annotated Anodyne CCOc1ccccc1[C@H](c1cc(C)ns1)N1CCN(C)CC1 ZINC000028250299 EG Annotated Anodyne CCOc1ccccc1[C@@H](c1cc(C)ns1)N1CCN(C)CC1 ZINC000028250306 EG Annotated Anodyne COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=NN(C)C(=O)C2 ZINC000028256243 EG Annotated Anodyne COc1ccccc1[C@@H](CNCC(C)(C)S)NCC(C)(C)S ZINC000028261026 EG Annotated Mild COc1ccccc1[C@H](CNCC(C)(C)S)NCC(C)(C)S ZINC000028261032 EG Annotated Mild COC(=O)CSCCCCCCOC1=C(C)C(=O)S[C@@H]1C ZINC000028334400 EG Annotated Mild COC(=O)CSCCCCCCOC1=C(C)C(=O)S[C@H]1C ZINC000028334407 EG Annotated Mild O=S(=O)(NC1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1ccccc1F ZINC000028353046 EG Annotated Anodyne O=[N+]([O-])c1ccc(-c2nc3c(O)ncnc3nc2-c2ccccc2)cc1 ZINC000028355997 EG Annotated Bother O=[N+]([O-])c1ccc(-c2nc3ncnc(O)c3nc2-c2ccccc2)cc1 ZINC000028356596 EG Annotated Bother Cc1cccc(S(=O)(=O)NC2[C@H]3CC[C@@H]2Cc2ccccc2C3)c1 ZINC000028358970 EG Annotated Anodyne O=S(=O)(NC1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1cccs1 ZINC000028358983 EG Annotated Anodyne COc1cccc(CNC[C@@H](C)Oc2cccc3ccc(N)nc23)c1 ZINC000028360021 EG Annotated Anodyne COc1cccc(CNC[C@H](C)Oc2cccc3ccc(N)nc23)c1 ZINC000028360026 EG Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000028361955 EG Annotated Bother O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000028361962 EG Annotated Bother Cc1cc(C)c(C(=O)c2nc(C)nc(N3CCOCC3)c2C)c(C)c1 ZINC000028365252 EG Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([C@@H](C)C#N)c1 ZINC000028365952 EG Annotated Mild CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([C@H](C)C#N)c1 ZINC000028365958 EG Annotated Mild CC(=O)Nc1ccc(-c2nn(C)/c(=N/C3CCCCC3)s2)cc1 ZINC000028372909 EG Annotated Anodyne Cc1ncccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028373300 EG Annotated Anodyne N#Cc1cc2cccnc2nc1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000028377340 EG Annotated Mild Cc1cc(C)nc(/N=C(\N)NCC(c2ccccc2)c2ccccc2)n1 ZINC000028379109 EG Annotated Mild O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)N=C2S)cc1 ZINC000028382291 EG Annotated Anodyne CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2c(F)cccc21 ZINC000028383120 EG Annotated Anodyne N#Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1 ZINC000028383844 EG Annotated Mild CN(Cc1ccccc1)c1ccc(-c2cnc(N)nc2)cc1[N+](=O)[O-] ZINC000028384861 EG Annotated Bother CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccc(F)cc21 ZINC000028385532 EG Annotated Anodyne Cc1cccnc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028385543 EG Annotated Anodyne CC1=NN(C)[C@@H]2[C@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12 ZINC000028385572 EG Annotated Mild CC1=NN(C)[C@@H]2[C@@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12 ZINC000028385577 EG Annotated Mild Nc1ccc2cccc(OCCCNc3ccc4c(c3)OCO4)c2n1 ZINC000028387090 EG Annotated Anodyne C=C[C@@H]1OC(c2ccc(Br)cc2)=N[C@H]1SC(C)=O ZINC000028387126 EG Annotated Mild CCn1c(Cc2cccc(F)c2)cc(=O)c2c(O)cc(OC)cc21 ZINC000028392019 EG Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(O)cc1Cl)c1ccc(Cl)cc1 ZINC000028393464 EG Annotated Mild Cc1cncc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1 ZINC000028393715 EG Annotated Anodyne Cc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1 ZINC000028394130 EG Annotated Anodyne N#Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028394812 EG Annotated Mild Cc1ccncc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028395684 EG Annotated Anodyne Oc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028396062 EG Annotated Anodyne COc1cc(N(C)C)ccc1CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000028396454 EG Annotated Clean O=Cc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028396657 EG Annotated Anodyne Cc1cnccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028397387 EG Annotated Anodyne CN(c1cccnc1)c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028397523 EG Annotated Anodyne O=C(CN1C(=O)CS[C@@H]1c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000028397939 EG Annotated Anodyne O=C(CN1C(=O)CS[C@H]1c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000028397944 EG Annotated Anodyne Nc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028455232 EG Annotated Anodyne Fc1cc(Nc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028456010 EG Annotated Anodyne O=Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028456673 EG Annotated Anodyne Nc1cc(Cl)ccc1/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000028457763 EG Annotated Mild Nc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000028459637 EG Annotated Mild COn1c2c(c3ccccc31)C(=O)c1cnc3ccccc3c1C2=O ZINC000028459908 EG Annotated Clean CCO[C@@H](Cc1scnc1C(=O)Nc1nccs1)C(C)C ZINC000028462466 EG Annotated Anodyne CCO[C@H](Cc1scnc1C(=O)Nc1nccs1)C(C)C ZINC000028462470 EG Annotated Anodyne CO[C@H](Cc1scnc1C(=O)Nc1nccs1)CC(C)C ZINC000028462475 EG Annotated Anodyne CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)CC(C)C ZINC000028462479 EG Annotated Anodyne COc1cccc(-c2noc(-c3[nH]c4ccccc4c3CCN)n2)c1 ZINC000028465241 EG Annotated Anodyne CCc1c(C(=O)OC)cn([C@@H](C)c2ccccc2)c1CC(=O)OC ZINC000028465847 EG Annotated Anodyne CC1=C(CCCCCC(=O)NCCC#N)C(=O)c2ccccc2C1=O ZINC000028468301 EG Annotated Mild O=C(O)c1c(F)c(F)c(N(CCCl)CCCl)c(F)c1F ZINC000028472716 EG Annotated Reactive O=C(O)CCCN1C(=O)c2ccccc2[C@@H]2C(=O)c3ccccc3[C@@H]21 ZINC000028472820 EG Annotated Anodyne O=C(O)CCCN1C(=O)c2ccccc2[C@@H]2C(=O)c3ccccc3[C@H]21 ZINC000028472824 EG Annotated Anodyne O=C(O)CCCN1C(=O)c2ccccc2[C@H]2C(=O)c3ccccc3[C@@H]21 ZINC000028472828 EG Annotated Anodyne O=C(O)CCCN1C(=O)c2ccccc2[C@H]2C(=O)c3ccccc3[C@H]21 ZINC000028472832 EG Annotated Anodyne COC(=O)Cc1c(C(C)C)c(C(=O)OC)cn1Cc1ccccc1 ZINC000028474297 EG Annotated Anodyne COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(F)cc1)C2=O ZINC000028477145 EG Annotated Mild C=C1CO[C@H]2c3c(cc(O)c4c(=O)c5cccc(OC)c5oc34)O[C@@H]12 ZINC000028477406 EG Annotated Mild COC(=O)c1cc2c(s1)C(=O)C(Cl)=C(Nc1ccccc1)C2=O ZINC000028520444 EG Annotated Mild COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O ZINC000028520468 EG Annotated Mild O=C1C(Nc2ccc(F)cc2)=C(Cl)C(=O)c2sc(CO)cc21 ZINC000028520486 EG Annotated Mild Cc1ccc(NC2=C(Cl)C(=O)c3sc(CO)cc3C2=O)cc1 ZINC000028520596 EG Annotated Mild COc1ccc(NC2=C(Cl)C(=O)c3sc(CO)cc3C2=O)cc1 ZINC000028522318 EG Annotated Mild CC(=O)NCn1cc(-c2ccc(-c3ccc(F)cc3)cc2)c(=O)o1 ZINC000028523071 EG Annotated Anodyne N#Cc1cccc(-c2nc(Nc3ccccn3)sc2-n2cncn2)c1 ZINC000028523114 EG Annotated Mild CC(=O)NCn1cc(-c2ccc(-c3cc(C)cs3)cc2)c(=O)o1 ZINC000028523282 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1cc(C2=CCCNC2)c2ccccc21 ZINC000028523596 EG Annotated Anodyne N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1 ZINC000028524152 EG Annotated Mild CC(=O)NCn1cc(-c2ccc(-c3ccc(F)cc3F)cc2)c(=O)o1 ZINC000028524199 EG Annotated Anodyne CC(=O)Oc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000028524499 EG Annotated Anodyne O=S(=O)(c1cccs1)n1cc([C@@H]2CCCNC2)c2ccccc21 ZINC000028524771 EG Annotated Anodyne O=S(=O)(c1cccs1)n1cc([C@H]2CCCNC2)c2ccccc21 ZINC000028524772 EG Annotated Anodyne N=c1sc2c(n1CC(=O)c1ccc(N3CCCC3)cc1)CCCC2 ZINC000028526059 EG Annotated Anodyne CCCCCOc1ncccc1[C@@H](O)CC#CCCCC(=O)OC ZINC000028526496 EG Annotated Mild CCCCCOc1ncccc1[C@H](O)CC#CCCCC(=O)OC ZINC000028526497 EG Annotated Mild CCN(CC)C[C@H](c1ccccc1C(F)(F)F)N1CCN(C)CC1 ZINC000028526829 EG Annotated Anodyne CCN(CC)C[C@@H](c1ccccc1C(F)(F)F)N1CCN(C)CC1 ZINC000028526831 EG Annotated Anodyne CSC(=N)NC(=O)c1ccccc1NCC(=O)c1ccc(C)cc1 ZINC000028527745 EG Annotated Anodyne C=C(Br)C(=O)Nc1ccc2sc(C(=O)O)cc2c1 ZINC000028530543 EG Annotated Anodyne CCCC[C@@H]1Sc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530604 EG Annotated Anodyne CCCC[C@H]1Sc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530606 EG Annotated Anodyne CCCC[C@@H]1Sc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530608 EG Annotated Anodyne CCCC[C@H]1Sc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530609 EG Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000028536332 EG Annotated Anodyne C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(C=COC1)O2 ZINC000028536926 EG Annotated Anodyne in-vitro biogenic CC(C)=CC(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000028539347 EG Annotated Anodyne CC(C)=CC(=O)O[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000028539351 EG Annotated Anodyne COc1c2ccoc2nc2c(OC)c(OC/C=C(/C)CO)ccc12 ZINC000028539617 EG Annotated Anodyne CC(=O)O[C@@H]1C=C[C@@H](O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 ZINC000028567828 EG Annotated Anodyne COc1cc(OC)cc(-c2cc3cc(OC)cc(OC)c3oc2=O)c1 ZINC000028567885 EG Annotated Anodyne COCn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccccc2)cc1=O ZINC000028568819 EG Annotated Mild CC(=O)Nc1ccc2c(c1)C(=O)c1cc(CC(=O)O)ccc1SC2 ZINC000028569004 EG Annotated Anodyne COc1cc(Br)c(-n2nnc3ccccc32)cc1OC ZINC000028569614 EG Annotated Anodyne CCCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028569880 EG Annotated Bother CCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570053 EG Annotated Bother Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CC(F)F)CC2 ZINC000028570087 EG Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CC(F)F)CC2 ZINC000028570088 EG Annotated Anodyne O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCc1ccccc1 ZINC000028570131 EG Annotated Anodyne O=C1C2CCN(CC2)C12COC(c1ccc(Cl)c(Cl)c1)OC2 ZINC000028570667 EG Annotated Anodyne CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570735 EG Annotated Bother CCOC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570736 EG Annotated Bother CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1 ZINC000028570945 EG Annotated Anodyne CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1 ZINC000028570946 EG Annotated Anodyne Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CC1CC1)CC2 ZINC000028571064 EG Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CC1CC1)CC2 ZINC000028571065 EG Annotated Anodyne Cn1cc(/C=C2\C(=O)NN=C2c2nccs2)c2cc(Cl)ccc21 ZINC000028572238 EG Annotated Clean CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(C#N)cc2)OC1=O ZINC000028572335 EG Annotated Mild N#Cc1ccccc1S(=O)(=O)Nc1nc2cc(Cl)ccc2o1 ZINC000028572620 EG Annotated Mild CCN(CC)CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N ZINC000028604435 EG Annotated Mild COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(O)cc3)[C@H]1CC2 ZINC000028635282 EG Annotated Anodyne CC1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@@]3(O)CC1 ZINC000028636514 EG Annotated Anodyne COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C=O)cc1 ZINC000028636551 EG Annotated Anodyne CC(C)[C@H]1/C=C/[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)Cc2cc(co2)CC1 ZINC000028638866 EG Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c3scnc3c2)cc1 ZINC000028639320 EG Annotated Bother O=C1O[C@@H](O)C(c2ccc(-c3ccccc3)cc2)=C1Br ZINC000028639647 EG Annotated Anodyne O=C1O[C@H](O)C(c2ccc(-c3ccccc3)cc2)=C1Br ZINC000028639650 EG Annotated Anodyne O=S(=O)(/C=C/c1ccccc1)CS(=O)(=O)/C=C/c1ccccc1 ZINC000028640207 EG Annotated Anodyne O=C1O[C@@H](O)C(c2ccc(Oc3ccccc3)cc2)=C1Br ZINC000028640248 EG Annotated Anodyne O=C1O[C@H](O)C(c2ccc(Oc3ccccc3)cc2)=C1Br ZINC000028640251 EG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1nccc3cc4c(c-2c13)OCO4 ZINC000028640565 EG Annotated Anodyne O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cccs1 ZINC000028640716 EG Annotated Reactive COc1c(OC)c(OC)c2c3c(cc4c(O)cccc42)NC(=O)c13 ZINC000028640798 EG Annotated Bother N=C(N)c1cccc(-c2cc(-c3ccc(C(=N)N)cc3Cl)no2)c1 ZINC000028642778 EG Annotated Anodyne Cc1ccccc1-c1ncnc2c1[nH]c(=O)n2-c1ccc(F)cc1F ZINC000028642828 EG Annotated Anodyne O=c1[nH]c2c(-c3ccccc3F)ncnc2n1-c1c(F)cccc1F ZINC000028642915 EG Annotated Anodyne N=C(N)c1cccc(-c2cc(-c3cccc(C(=N)N)c3Cl)on2)c1 ZINC000028643546 EG Annotated Anodyne N=C(N)c1cccc(-c2cc(-c3cccc(C(=N)N)c3Cl)no2)c1 ZINC000028644199 EG Annotated Anodyne N=C(N)c1ccc(-c2cc(-c3cccc(C(=N)N)c3Cl)no2)cc1 ZINC000028644644 EG Annotated Anodyne N=C(N)c1ccc(-c2cc(-c3ccc(C(=N)N)cc3Cl)no2)cc1 ZINC000028644654 EG Annotated Anodyne CNc1ccc(/C=C/c2cnc(OCCO)c(Br)c2)cc1 ZINC000028644787 EG Annotated Anodyne O/C(=N\CCc1ccccc1)c1nc(-c2cccs2)nc(O)c1O ZINC000028644913 EG Annotated Mild N=C(N)c1ccc(-c2cc(-c3cccc(C(=N)N)c3Cl)on2)cc1 ZINC000028644931 EG Annotated Anodyne N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1 ZINC000028645187 EG Annotated Mild Cc1nc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)nc(C)c1C ZINC000028647389 EG Annotated Anodyne Cc1nc(N2C(=O)CS[C@H]2c2c(F)cccc2F)nc(C)c1C ZINC000028647392 EG Annotated Anodyne CNc1cccc(CCOc2ccc([C@@H]3C[C@@H]3CC(=O)O)cc2)n1 ZINC000028648115 EG Annotated Anodyne CNc1cccc(CCOc2ccc([C@H]3C[C@@H]3CC(=O)O)cc2)n1 ZINC000028648117 EG Annotated Anodyne CNc1cccc(CCOc2ccc([C@@H]3C[C@H]3CC(=O)O)cc2)n1 ZINC000028648120 EG Annotated Anodyne CNc1cccc(CCOc2ccc([C@H]3C[C@H]3CC(=O)O)cc2)n1 ZINC000028648123 EG Annotated Anodyne C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000028648780 EG Annotated Anodyne in-vitro biogenic CC(C)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O ZINC000028649634 EG Annotated Mild CCCCCNc1nc(SC)nc(CCO)c1Br ZINC000028653480 EG Annotated Anodyne COc1nc(C[C@@](C)(O)C(F)(F)F)c(-c2ccccc2)c(OC)n1 ZINC000028655563 EG Annotated Anodyne COc1nc(C[C@](C)(O)C(F)(F)F)c(-c2ccccc2)c(OC)n1 ZINC000028655566 EG Annotated Anodyne N#Cc1c(N2CCN(c3ccccc3)CC2)cc(-c2ccco2)oc1=O ZINC000028703361 EG Annotated Mild Cc1c(O)c(CCC(C)C)c2c(c1O)C(=O)c1cccc(O)c1C2=O ZINC000028704296 EG Annotated Clean Brc1cc(-c2nccc3nc[nH]c23)[nH]c1Br ZINC000028705367 EG Annotated Anodyne COC(=O)c1cc(Nc2snc(O)c2C#N)cc(C(F)(F)F)c1 ZINC000028707447 EG Annotated Mild N#Cc1c(O)nsc1Nc1cc(C(=O)O)cc(C(F)(F)F)c1 ZINC000028707468 EG Annotated Mild CCCCS(=O)(=O)c1cccc(Nc2snc(O)c2C#N)c1 ZINC000028707472 EG Annotated Mild Nc1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2n1 ZINC000028711132 EG Annotated Anodyne COc1cc(-c2nnc(-c3ccc(O)cc3O)s2)cc(OC)c1O ZINC000028712181 EG Annotated Anodyne COc1cccc(COc2nnc(-c3ccc(O)cc3O)s2)c1 ZINC000028712198 EG Annotated Anodyne CC1=C(/C=C/c2cc(N3CCOCC3)nc(N)n2)C(C)(C)CCC1 ZINC000028712597 EG Annotated Anodyne Fc1ccc(-c2nnc3n2ccc2nnc(-c4ccc(F)cc4)n23)cc1 ZINC000028712776 EG Annotated Anodyne COc1ccc(Cl)c(-c2nnc3n2N[C@H](c2ccc[nH]2)S3)c1 ZINC000028712921 EG Annotated Anodyne COc1ccc(Cl)c(-c2nnc3n2N[C@@H](c2ccc[nH]2)S3)c1 ZINC000028712922 EG Annotated Anodyne COc1ccc(Cl)c(-c2nnc3n2N[C@H](c2cccn2C)S3)c1 ZINC000028712927 EG Annotated Anodyne COc1ccc(Cl)c(-c2nnc3n2N[C@@H](c2cccn2C)S3)c1 ZINC000028712928 EG Annotated Anodyne CCN(CC)CCN1C(=O)CS[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028713222 EG Annotated Anodyne CCN(CC)CCN1C(=O)CS[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028713223 EG Annotated Anodyne CC1=CC=C[C@]2(C)CN(C)N(C(=S)N(C)c3ccccc3)N=C12 ZINC000028713507 EG Annotated Anodyne CC1=CC=C[C@@]2(C)CN(C)N(C(=S)N(C)c3ccccc3)N=C12 ZINC000028713508 EG Annotated Anodyne N#C/C(=N\Nc1nc2ccccc2[nH]1)C(=O)c1c[nH]c2ccccc12 ZINC000028714032 EG Annotated Mild COc1ccc(N2C[C@@H](COc3ccc(Cl)cc3)OCC2=O)cc1 ZINC000028714045 EG Annotated Anodyne COc1ccc(N2C[C@H](COc3ccc(Cl)cc3)OCC2=O)cc1 ZINC000028714046 EG Annotated Anodyne CCOC(=O)c1c(C)cc2cnn(-c3ccc(F)cc3)c(=O)c2c1C ZINC000028755767 EG Annotated Anodyne CCOC(=O)c1c(C)cc2cnn(-c3ccccc3F)c(=O)c2c1C ZINC000028757433 EG Annotated Anodyne CCOC(=O)c1c(C)cc2cnn(-c3ccccc3C)c(=O)c2c1C ZINC000028757446 EG Annotated Anodyne CCN(CC)C(=O)N[C@@H]1C[C@@H]2c3cccc4c3C(=CC4)C[C@H]2N(C)C1 ZINC000028762181 EG Annotated Anodyne Fc1ccc(CN2CCc3ccccc3[C@@H]2Cn2cncn2)c(F)c1 ZINC000028762690 EG Annotated Anodyne Fc1ccc(CN2CCc3ccccc3[C@H]2Cn2cncn2)c(F)c1 ZINC000028762691 EG Annotated Anodyne CC(C)COc1ccccc1/C(=C\CN1CCOCC1)n1ccnc1 ZINC000028764784 EG Annotated Anodyne CC(C)COc1ccccc1/C(=C/CN1CCOCC1)n1ccnc1 ZINC000028764785 EG Annotated Anodyne CC(C)COc1ccc(Cl)cc1/C(=C\CN(C)C)n1cncn1 ZINC000028765054 EG Annotated Anodyne CC(C)COc1ccc(Cl)cc1/C(=C/CN(C)C)n1cncn1 ZINC000028765055 EG Annotated Anodyne COc1ccc([C@H]2Nc3cc(OC)c(OC)cc3C(C)=[N+]2[O-])cc1 ZINC000028765831 EG Annotated Anodyne CC[C@@H]1C(=O)N(CC2CC2)[C@@H]2SC=C(c3ccccc3)N2C1=O ZINC000028768028 EG Annotated Anodyne CC[C@H]1C(=O)N(CC2CC2)[C@@H]2SC=C(c3ccccc3)N2C1=O ZINC000028768030 EG Annotated Anodyne CC[C@@H]1C(=O)N(CC2CC2)[C@H]2SC=C(c3ccccc3)N2C1=O ZINC000028768032 EG Annotated Anodyne CC[C@H]1C(=O)N(CC2CC2)[C@H]2SC=C(c3ccccc3)N2C1=O ZINC000028768033 EG Annotated Anodyne CCOc1ccc2c(c1)S[C@H]1N(CC3CC3)C(=O)[C@@H](CC)C(=O)N21 ZINC000028768086 EG Annotated Anodyne CCOc1ccc2c(c1)S[C@@H]1N(CC3CC3)C(=O)[C@@H](CC)C(=O)N21 ZINC000028768088 EG Annotated Anodyne CCOc1ccc2c(c1)S[C@H]1N(CC3CC3)C(=O)[C@H](CC)C(=O)N21 ZINC000028768089 EG Annotated Anodyne CCOc1ccc2c(c1)S[C@@H]1N(CC3CC3)C(=O)[C@H](CC)C(=O)N21 ZINC000028768091 EG Annotated Anodyne COc1cc2c(C)nc(OC(C)=O)c(Br)c2cc1OC ZINC000028768683 EG Annotated Anodyne O=C(O)Cc1cccc2c(=O)c3cccc(Br)c3oc12 ZINC000028769128 EG Annotated Bother COC(=O)c1cn(-c2ccc(F)cc2)c2c1C(=O)C(C)=C(C)C2=O ZINC000028817957 EG Annotated Mild CCc1c(C)[nH]c(=O)c(C(=O)N(C)C)c1Oc1cc(C)cc(C)c1 ZINC000028818719 EG Annotated Anodyne O=[N+]([O-])c1cc2cc([C@]3(O)CCSC3)[nH]c2cc1C(F)(F)F ZINC000028820585 EG Annotated Bother O=[N+]([O-])c1cc2cc([C@@]3(O)CCSC3)[nH]c2cc1C(F)(F)F ZINC000028820587 EG Annotated Bother CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 ZINC000028821271 EG Annotated Anodyne Cc1cccc(CNc2nc(C)c([N+](=O)[O-])c(-n3ccnc3C)n2)c1 ZINC000028821408 EG Annotated Bother Cc1ccc(CNc2nc(C)c([N+](=O)[O-])c(-n3ccnc3C)n2)cc1 ZINC000028821409 EG Annotated Bother Cc1nc(N[C@H](C)CCC(C)C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821433 EG Annotated Bother Cc1nc(N[C@@H](C)CCC(C)C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821434 EG Annotated Bother Cc1nc(NCC2CCCCC2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821442 EG Annotated Bother Cc1nc(NC2CCC(C)CC2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821443 EG Annotated Bother Cc1nc(N[C@@H]2CCC[C@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821444 EG Annotated Bother Cc1nc(N[C@H]2CCC[C@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821445 EG Annotated Bother Cc1nc(N[C@@H]2CCC[C@@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821446 EG Annotated Bother Cc1nc(N[C@H]2CCC[C@@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821447 EG Annotated Bother Cc1nc(N[C@H]2CCCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821448 EG Annotated Bother Cc1nc(N[C@H]2CCCC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821449 EG Annotated Bother Cc1nc(N[C@@H]2CCCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821450 EG Annotated Bother Cc1nc(N[C@@H]2CCCC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821451 EG Annotated Bother CC[C@@H]1CC=CC[C@@H]1Nc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1 ZINC000028821467 EG Annotated Bother COc1ccc(N2CC[C@@H](N)[C@@H](c3cccc(C)c3)C2)cc1OC ZINC000028821828 EG Annotated Clean COc1ccc(N2CC[C@H](N)[C@@H](c3cccc(C)c3)C2)cc1OC ZINC000028821829 EG Annotated Clean CC(C)N(C(=O)COc1ccc(N2C=CC(=O)C[C@@H]2C)cc1)C(C)C ZINC000028822204 EG Annotated Mild CC(C)N(C(=O)COc1ccc(N2C=CC(=O)C[C@H]2C)cc1)C(C)C ZINC000028822205 EG Annotated Mild Cc1ccc2nc(N3C(=O)[C@]4(C)[C@@H]5CC[C@@H](O5)[C@]4(C)C3=O)sc2c1 ZINC000028822567 EG Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc(/C=C\c2ccc(O)c(O)c2)cc1 ZINC000028823006 EG Annotated Clean O=C(NC[C@H]1CCCO1)c1ccc(/C=C\c2ccc(O)c(O)c2)cc1 ZINC000028823007 EG Annotated Clean O=C(NC[C@@H]1CCCO1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 ZINC000028823008 EG Annotated Clean O=C(NC[C@H]1CCCO1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 ZINC000028823009 EG Annotated Clean O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1ccc2[nH]ccc2c1 ZINC000028823912 EG Annotated Anodyne O[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1ccc2[nH]ccc2c1 ZINC000028823913 EG Annotated Anodyne N#CCCCn1c(Cn2c(=O)oc3ccccc32)nc2ccccc21 ZINC000028824372 EG Annotated Mild CN(C)CCn1c(CN2C(=O)CCc3ccccc32)nc2ccccc21 ZINC000028824457 EG Annotated Anodyne CCc1ccc2c(c1)[C@]1(NN=C(c3ccc(OC)cc3)S1)C(=O)N2 ZINC000028824732 EG Annotated Clean CCc1ccc2c(c1)[C@@]1(NN=C(c3ccc(OC)cc3)S1)C(=O)N2 ZINC000028824733 EG Annotated Clean COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000028824735 EG Annotated Clean COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000028824736 EG Annotated Clean COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2cc(Cl)ccc23)cc1 ZINC000028824748 EG Annotated Clean COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2cc(Cl)ccc23)cc1 ZINC000028824749 EG Annotated Clean OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000028825004 EG Annotated Bother COc1ccc2nc(OC(C)C)cc(NC3(CCCN)CC3)c2n1 ZINC000028826054 EG Annotated Anodyne NC(N)=NC(=O)Cc1c(-c2ccccc2)csc1-c1ccccc1 ZINC000028826078 EG Annotated Mild NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1 ZINC000028826381 EG Annotated Anodyne in-vivo C[C@@H]1O[C@@H](/C=C/c2ccccc2)OC[C@H]1NC(=O)Cc1ccccc1 ZINC000028826691 EG Annotated Anodyne C[C@@H]1O[C@H](/C=C/c2ccccc2)OC[C@H]1NC(=O)Cc1ccccc1 ZINC000028826712 EG Annotated Anodyne C[n+]1c2ccc(F)cc2cc2[nH]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c21 ZINC000028826850 EG Annotated Bother C#CCn1c(C)c(C(C)(C)C)s/c1=N\S(=O)(=O)c1ccccc1 ZINC000028862042 EG Annotated Mild COC1=CC(=O)c2c(COc3ccc(F)cc3F)c(C)n(C)c2C1=O ZINC000028864323 EG Annotated Mild Cc1cc[n+](CCCCCCCC[n+]2ccc(C)cc2N)c(N)c1 ZINC000028865239 EG Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCCC[C@H]2C)[nH]c1=O ZINC000028866325 EG Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCCC[C@@H]2C)[nH]c1=O ZINC000028866328 EG Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCC[C@@H](C)C2)[nH]c1=O ZINC000028866330 EG Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCC[C@H](C)C2)[nH]c1=O ZINC000028866333 EG Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCC(C)CC2)[nH]c1=O ZINC000028866339 EG Annotated Anodyne COc1ccc(C(=O)[C@@H](C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000028866342 EG Annotated Anodyne COc1ccc(C(=O)[C@H](C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000028866345 EG Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCCCCC2)[nH]c1=O ZINC000028866363 EG Annotated Anodyne Cc1c([C@H](C)c2c(F)cccc2F)nc(N2CCCCC2)[nH]c1=O ZINC000028866743 EG Annotated Anodyne Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCCCC2)[nH]c1=O ZINC000028866745 EG Annotated Anodyne CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)O2 ZINC000028867085 EG Annotated Anodyne Cc1nc2c3c(c(C(=O)N4CC4)cn2c1C)CC[C@H](c1ccccc1)O3 ZINC000028867120 EG Annotated Anodyne Cc1nc2c3c(c(C(=O)N4CC4)cn2c1C)CC[C@@H](c1ccccc1)O3 ZINC000028867123 EG Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncc(C)cc23)[C@@H](C2CCCCC2)N1 ZINC000028867709 EG Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncc(C)cc23)[C@@H](C2CCCCC2)N1 ZINC000028867713 EG Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncc(C)cc23)[C@H](C2CCCCC2)N1 ZINC000028867716 EG Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncc(C)cc23)[C@H](C2CCCCC2)N1 ZINC000028867720 EG Annotated Anodyne Nc1ccc(Oc2ccc(-c3cc(N4CCOCC4)[nH]n3)cc2)cc1 ZINC000028869256 EG Annotated Clean N=C(N)c1cccc2oc(Cc3cc4c(C(=N)N)cccc4o3)cc12 ZINC000028870045 EG Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1CCOC1=O ZINC000028873838 EG Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1CCOC1=O ZINC000028873843 EG Annotated Mild O=S(=O)(C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000028875105 EG Annotated Anodyne O=S(=O)(C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000028875109 EG Annotated Anodyne COc1ccc2c(c1)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884052 EG Annotated Anodyne N#Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884220 EG Annotated Mild C#Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884231 EG Annotated Mild COc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028884251 EG Annotated Anodyne Cc1ccc(C(=O)NC2=NC(=O)/C(=C/c3cccs3)S2)cc1 ZINC000028888594 EG Annotated Clean CCS(=O)(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1ccsc1 ZINC000028896711 EG Annotated Anodyne COc1ccc2nc(-c3n[nH]cc3/C=C/c3cncc(C#N)c3)[nH]c2c1 ZINC000028896762 EG Annotated Mild N#Cc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1 ZINC000028899690 EG Annotated Mild O=C(Cc1ccc(F)cc1)Nc1ccc2cc(C(=O)NO)sc2c1 ZINC000028900017 EG Annotated Anodyne Cc1ccc(-c2ncc(C(=O)NCCO)nc2-c2ccc(C)cc2)cc1 ZINC000028900277 EG Annotated Anodyne CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 ZINC000028902705 EG Annotated Anodyne C[N+](C)(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 ZINC000028902715 EG Annotated Mild O[C@@H]1CN=C(c2ccc(OC(F)(F)F)cc2)N[C@@H]1c1ccccc1 ZINC000028948562 EG Annotated Anodyne O[C@H]1CN=C(c2ccc(OC(F)(F)F)cc2)N[C@@H]1c1ccccc1 ZINC000028948564 EG Annotated Anodyne O[C@@H]1CN=C(c2ccc(OC(F)(F)F)cc2)N[C@H]1c1ccccc1 ZINC000028948566 EG Annotated Anodyne O[C@H]1CN=C(c2ccc(OC(F)(F)F)cc2)N[C@H]1c1ccccc1 ZINC000028948568 EG Annotated Anodyne Clc1cccc(CN(C2CCOCC2)[C@H]2CCNC2)c1Cl ZINC000028948799 EG Annotated Anodyne COc1ccc(-n2c(SCC#N)nc3sccc3c2=O)cc1 ZINC000028948923 EG Annotated Mild C#CCSc1nc2sccc2c(=O)n1-c1ccc(OC)cc1 ZINC000028949076 EG Annotated Mild CCN(CC)c1nc2sc3c(OC)nnnc3c2c2c1CCCC2 ZINC000028949399 EG Annotated Anodyne COc1nnnc2c1sc1nc(N3CCCC3)c3c(c12)CCCC3 ZINC000028949401 EG Annotated Anodyne CCCOc1nc2sc3c(OC)nnnc3c2c2c1CCCC2 ZINC000028949417 EG Annotated Anodyne COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2OC)cc1 ZINC000028950828 EG Annotated Clean COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2OC)cc1 ZINC000028950830 EG Annotated Clean COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2CC=O)cc1 ZINC000028950945 EG Annotated Mild COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2CC=O)cc1 ZINC000028950947 EG Annotated Mild CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F ZINC000028950949 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1c3c(O)cc(OC)c(C)c3C(=O)N21 ZINC000028951005 EG Annotated Clean CC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O ZINC000028951009 EG Annotated Anodyne CC(C)N(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O ZINC000028951050 EG Annotated Anodyne C=CCNC(=O)[C@@H](CCCC)N(CC(C)(C)C)C(=O)c1cccnc1 ZINC000028952897 EG Annotated Mild C=CCNC(=O)[C@H](CCCC)N(CC(C)(C)C)C(=O)c1cccnc1 ZINC000028952899 EG Annotated Mild C=CCNC(=O)[C@@](C)(C(C)C)N(CC(C)(C)C)C(=O)c1cccnc1 ZINC000028953350 EG Annotated Mild C=CCNC(=O)[C@](C)(C(C)C)N(CC(C)(C)C)C(=O)c1cccnc1 ZINC000028953352 EG Annotated Mild C=CCNC(=O)[C@@](C=C)(CC)N(CC(C)(C)C)C(=O)c1cccnc1 ZINC000028953412 EG Annotated Mild C=CCNC(=O)[C@](C=C)(CC)N(CC(C)(C)C)C(=O)c1cccnc1 ZINC000028953415 EG Annotated Mild COC(=O)c1cc2cc[nH]c(=O)c2c2cc(Br)ccc12 ZINC000028955786 EG Annotated Bother CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=N\OC ZINC000028955847 EG Annotated Mild O=C(NCc1c(F)ccc(F)c1Cl)c1snnc1C1CC1 ZINC000028956860 EG Annotated Anodyne O=C(NCc1c(F)ccc(Cl)c1F)c1snnc1C1CC1 ZINC000028956865 EG Annotated Anodyne O=C(NCCc1c(F)cccc1Cl)c1snnc1C1CC1 ZINC000028956874 EG Annotated Anodyne C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 ZINC000028958717 EG Annotated Mild CCc1cc(NCc2cccnc2)n2ncc(Br)c2n1 ZINC000028958818 EG Annotated Anodyne Brc1cnn2c(NCc3cccnc3)cc(C3CC3)nc12 ZINC000028958841 EG Annotated Anodyne O=C1c2c(ccc(O)c2O)CN1Cc1cccc(CBr)c1 ZINC000028967077 EG Annotated Reactive CCC[C@H]1CC2(C[C@@H](CCC)N1)C(=O)NC(=O)N2c1ccccc1 ZINC000028971246 EG Annotated Anodyne C/C=C(/CO)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000028973276 EG Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(OC(C)=O)c2c1)C=C(C)OC3 ZINC000028973859 EG Annotated Anodyne CC/C(=N\OC)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028976994 EG Annotated Mild CCO/N=C(\C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977000 EG Annotated Mild CN(C)c1cc(Cl)c2c(c1)NC(=O)[C@](C)(c1ccccc1)C2=O ZINC000028978350 EG Annotated Anodyne CN(C)c1cc(Cl)c2c(c1)NC(=O)[C@@](C)(c1ccccc1)C2=O ZINC000028978354 EG Annotated Anodyne COc1cc(N2C(=O)c3ccc(Cl)cc3C2=O)ccc1N(C)C ZINC000029038395 EG Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1 ZINC000029041397 EG Annotated Anodyne CC(=O)O[C@@H]1[C@@H](Cl)C2=C(COC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000029041967 EG Annotated Reactive COc1cn2c(c(C(C)C)c1=O)C(=O)c1ccnc(CC(C)C)c1-2 ZINC000029042104 EG Annotated Anodyne CC1=C2C(=C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C(=O)CC[C@]53C)O[C@H]24)OC1=O ZINC000029042389 EG Annotated Anodyne COc1cc2nc3occc3c(-n3cnc([N+](=O)[O-])c3)c2cc1OC ZINC000029043724 EG Annotated Bother Cc1n[nH]c(-c2cc(Cl)ccc2Nc2ncnc3[nH]ccc23)n1 ZINC000029047758 EG Annotated Anodyne Cc1n[nH]c(-c2ccc(Cl)cc2Nc2ncnc3[nH]ccc23)n1 ZINC000029047761 EG Annotated Anodyne CCC[C@@H](C)n1cnc2c(SCc3ccccn3)nc(N)nc21 ZINC000029058942 EG Annotated Anodyne CCC[C@H](C)n1cnc2c(SCc3ccccn3)nc(N)nc21 ZINC000029058947 EG Annotated Anodyne CCCN1C(=O)O/C(=C2/C(=O)N(c3ccccc3)N=C2C)C=C1C ZINC000029061000 EG Annotated Clean CCOC(=O)CCCCc1cccc(NC(=O)NCCCl)c1 ZINC000029063748 EG Annotated Reactive CC1(C)[C@H]2CC[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(C)[C@H]21 ZINC000029123076 EG Annotated Anodyne Nc1ccc2c(c1)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 ZINC000029123313 EG Annotated Anodyne Nc1ccc2c(c1)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000029123346 EG Annotated Anodyne CN(C)/N=C/c1ccc(C2=C(Cl)C(=O)c3ccccc3C2=O)o1 ZINC000029123422 EG Annotated Mild Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccsc2)n1 ZINC000029125167 EG Annotated Mild Cn1cnc(-c2c(-c3ccccc3)c3cc(C#N)ccc3[nH]c2=O)c1 ZINC000029126486 EG Annotated Mild C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 ZINC000029126882 EG Annotated Anodyne C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000029126883 EG Annotated Anodyne Cn1c(=N)n(CCc2ccc(Br)cc2)c2ccccc21 ZINC000029127568 EG Annotated Anodyne Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)C[C@H]3O ZINC000029127580 EG Annotated Anodyne Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)C[C@@H]3O ZINC000029127583 EG Annotated Anodyne Cn1cnnc1Sc1cnc(C(C)(C)C)nc1-c1ccccc1O ZINC000029128029 EG Annotated Anodyne CC(C)(C)c1ncc(Sc2ncn[nH]2)c(-c2ccccc2O)n1 ZINC000029128077 EG Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CCCC[C@]1(CO)CC2)c1ccc(Cl)s1 ZINC000029128495 EG Annotated Anodyne O=S(=O)(N[C@H]1[C@@H]2CCCC[C@@]1(CO)CC2)c1ccc(Cl)s1 ZINC000029128496 EG Annotated Anodyne Oc1ccc2c(c1)CN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000029131652 EG Annotated Anodyne Oc1cccc2c1CN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000029131658 EG Annotated Clean Cc1c(Br)c(=O)oc2c(Br)c(N)ccc12 ZINC000029131682 EG Annotated Anodyne Cc1c(Br)c(=O)oc2c(O)c(O)c(Br)cc12 ZINC000029132397 EG Annotated Clean CS(=O)(=O)c1ccc(-c2nccc(NCc3cccs3)n2)cc1 ZINC000029132462 EG Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@]1(C)c1cccnc1 ZINC000029214823 EG Annotated Anodyne CC1(c2cc(I)c(O)c(CN)c2)CCCC1 ZINC000029220899 EG Annotated Clean COP(=O)(OC)C(O)(c1ccc(C)cc1)P(=O)(OC)OC ZINC000029225897 EG Annotated Anodyne C[C@@H]1CC[C@@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000029243274 EG Annotated Mild C[C@H]1CC[C@@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000029243282 EG Annotated Mild C[C@@H]1CC[C@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000029243289 EG Annotated Mild C[C@H]1CC[C@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000029243295 EG Annotated Mild O=C(C[C@@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO ZINC000029248014 EG Annotated Bother O=C(C[C@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO ZINC000029248019 EG Annotated Bother Nc1c2ccccc2nc2c(C(=O)NCCc3ccccn3)cccc12 ZINC000029248636 EG Annotated Clean CCN1C=CC=C2C1=Nc1cc(Cl)c(C)cc1S(=O)(=O)N2C ZINC000029250616 EG Annotated Anodyne CCCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029250827 EG Annotated Clean CCCCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029250833 EG Annotated Clean CCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029307739 EG Annotated Clean CCCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029307745 EG Annotated Clean O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1CC1Cc2ccccc2C1 ZINC000029308916 EG Annotated Anodyne Cc1ccc(-c2cc(CC(C)C)cc(C(=O)Nc3nnn[nH]3)n2)cc1 ZINC000029317145 EG Annotated Anodyne COc1c(OC)c(OC(C)=O)c2c(Cl)cccc2c1OC(C)=O ZINC000029318824 EG Annotated Anodyne O=C1Nc2cccc(C(F)(F)F)c2[C@@]1(O)c1cc(Cl)ccc1O ZINC000029319698 EG Annotated Anodyne O=C1Nc2cccc(C(F)(F)F)c2[C@]1(O)c1cc(Cl)ccc1O ZINC000029319702 EG Annotated Anodyne CC(C)OC(=O)Cc1cccc2cc([C@@H](O)CNC(C)(C)C)oc12 ZINC000029321360 EG Annotated Anodyne CC(C)OC(=O)Cc1cccc2cc([C@H](O)CNC(C)(C)C)oc12 ZINC000029321364 EG Annotated Anodyne Cc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)nc1 ZINC000029321707 EG Annotated Anodyne CCN(CC)CCNC(=O)c1cc(Cl)c(N)c2c(C)c(C)oc12 ZINC000029324057 EG Annotated Anodyne C[C@@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(N)=O)c1 ZINC000029325010 EG Annotated Anodyne C[C@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(N)=O)c1 ZINC000029325015 EG Annotated Anodyne C[C@@H]1N=CN(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(N)=O)c1 ZINC000029325020 EG Annotated Anodyne C[C@H]1N=CN(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(N)=O)c1 ZINC000029325024 EG Annotated Anodyne CCN(CC)CC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n(C)c1 ZINC000029326614 EG Annotated Anodyne Nc1ccc(N2CCC(O)CC2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000029334351 EG Annotated Anodyne Cc1nc(C)n(-c2cc(C)c3[nH]c(=O)ccc3c2)c1Br ZINC000029337537 EG Annotated Anodyne Cn1cc(C(=O)CN2CCCC2)cc1C(=O)c1ccc(Cl)cc1 ZINC000029337843 EG Annotated Anodyne CCN(CC)CCN1C(=O)c2cc(Cl)c(N)cc2OC(C)=C1C ZINC000029340728 EG Annotated Anodyne COc1cc(CBr)cc2c1C(=O)c1c(O)cccc1C2=O ZINC000029341388 EG Annotated Reactive Oc1ccc(CCN[C@@H]2CCc3cc(O)c(O)c(Cl)c3C2)cc1 ZINC000029344228 EG Annotated Clean Oc1ccc(CCN[C@H]2CCc3cc(O)c(O)c(Cl)c3C2)cc1 ZINC000029344232 EG Annotated Clean Cn1cc(C(=O)CN2CCCC2)cc1C(=O)c1cccc(Cl)c1 ZINC000029346575 EG Annotated Anodyne CC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\Cc1ccccc1 ZINC000029346749 EG Annotated Mild CN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](c2ncc[nH]2)C1 ZINC000029347117 EG Annotated Anodyne Cc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O ZINC000029388386 EG Annotated Bother COc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O ZINC000029389391 EG Annotated Bother O=C(OC[C@@H]1c2ccc(Cl)cc2N[C@H]1C(=O)O)c1ccccc1 ZINC000029389735 EG Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@H](C)O2 ZINC000029392692 EG Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](C)O2 ZINC000029392695 EG Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000029393762 EG Annotated Anodyne CCNCCCNCCCCCCCNCCCNC[C@@H](C)CC ZINC000029394136 EG Annotated Anodyne Cc1ccc(O)c(C(=O)NCCCN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000029394601 EG Annotated Anodyne COc1cc2sn(CCCCc3ccccn3)c(=O)c2cc1OC ZINC000029395770 EG Annotated Anodyne COc1cc2sn(CCCc3ccccn3)c(=O)c2cc1OC ZINC000029402210 EG Annotated Anodyne CN(C)CCCS/C(=N\O)C(=O)c1ccc(Br)cc1 ZINC000029408994 EG Annotated Mild C=CCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2CC=C)cc1 ZINC000029409900 EG Annotated Mild CNc1ccc(N(CCBr)CCBr)cc1 ZINC000029412279 EG Annotated Reactive CCCCCC/N=C(N)/N=C(\N)NCc1ccc(Cl)c(Cl)c1 ZINC000029414745 EG Annotated Mild C[C@@H](C(=O)OC1CCN(C)CC1)c1ccc(Br)cc1 ZINC000029414921 EG Annotated Anodyne C[C@H](C(=O)OC1CCN(C)CC1)c1ccc(Br)cc1 ZINC000029414924 EG Annotated Anodyne COc1cc(-n2cncc2-c2ccc(N)cc2)cc(OC)c1OC ZINC000029415858 EG Annotated Anodyne Cc1ccc(C2=C(CC(=O)O)[C@@H](c3cccnc3)NC(S)=N2)cc1 ZINC000029462079 EG Annotated Anodyne Cc1ccc(C2=C(CC(=O)O)[C@H](c3cccnc3)NC(S)=N2)cc1 ZINC000029462082 EG Annotated Anodyne CN(C)C#Cc1cc(CO)cc(Br)c1-c1ccc(O)cc1 ZINC000029462426 EG Annotated Mild COC(=O)c1sccc1-n1nc2c(cnc3ccccc32)c1O ZINC000029463447 EG Annotated Anodyne CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC#CCN(CC)CC ZINC000029463829 EG Annotated Mild CC[C@H](Oc1ccc(Cl)cc1)C(=O)OCC#CCN(CC)CC ZINC000029463831 EG Annotated Mild CCN1c2ncccc2-c2nccn2-c2ccc(N3CCCC3)nc21 ZINC000029464175 EG Annotated Anodyne N#CCCN(NC(=O)NC1CCCCC1)c1nc2ccccc2o1 ZINC000029465338 EG Annotated Reactive Cc1ccc(C2=C(CC(=O)O)[C@@H](c3ccco3)NC(S)=N2)cc1 ZINC000029465367 EG Annotated Anodyne Cc1ccc(C2=C(CC(=O)O)[C@H](c3ccco3)NC(S)=N2)cc1 ZINC000029465369 EG Annotated Anodyne Cc1cc(C(=O)O)c(-n2nc3c(cnc4ccccc43)c2O)s1 ZINC000029465724 EG Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F ZINC000029468363 EG Annotated Anodyne COc1cccc(OC)c1CN1C[C@@H]2CCCN2c2ncccc21 ZINC000029474076 EG Annotated Anodyne COc1cccc(OC)c1CN1C[C@H]2CCCN2c2ncccc21 ZINC000029474080 EG Annotated Anodyne Cc1ccccc1Cn1cnc2c(N(C)C)nc(C(F)(F)F)nc21 ZINC000029474179 EG Annotated Anodyne Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(C2CCCCC2)ccc1O ZINC000029478566 EG Annotated Bother Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(C2CCCCC2)ccc1O ZINC000029478570 EG Annotated Bother Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cccc(C2CCCCC2)c1O ZINC000029478931 EG Annotated Bother Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cccc(C2CCCCC2)c1O ZINC000029478935 EG Annotated Bother O=C(O)CCCOc1cc2c(cc1Cl)C(=O)N(C1CCCC1)C2 ZINC000029481131 EG Annotated Anodyne c1ccc2c(c1)C1CC2(CNCCCN2CCOCC2)c2ccccc21 ZINC000029481842 EG Annotated Anodyne Cn1nc[n+]2c1[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000029485038 EG Annotated Anodyne Cc1ncn(CCC(C(N)=O)(c2ccccc2)c2ccccc2)c1C ZINC000029485132 EG Annotated Anodyne CN(CCCl)CCNc1cccc2c1C(=O)c1ccccc1C2=O ZINC000029487035 EG Annotated Reactive CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3ccn(C)c32)C1(C)C ZINC000029487989 EG Annotated Anodyne CC(C)OC(=O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 ZINC000029545929 EG Annotated Clean CC[C@@]12CCN(CC3CC3)[C@@H](C(=O)c3ccc(NC=O)cc31)[C@@H]2C ZINC000029556297 EG Annotated Anodyne CSc1ncnc2c1ncn2[C@@H](C)c1cccc(OC(C)=O)c1 ZINC000029557492 EG Annotated Anodyne CSc1ncnc2c1ncn2[C@H](C)c1cccc(OC(C)=O)c1 ZINC000029557496 EG Annotated Anodyne Cc1ccc(-c2cc(CN(CC(N)=O)Cc3ccccc3)no2)cc1 ZINC000029564329 EG Annotated Anodyne COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1C ZINC000029566618 EG Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1C ZINC000029566622 EG Annotated Mild COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1C ZINC000029566625 EG Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1C ZINC000029566629 EG Annotated Mild CC(=O)SCCC(=O)N1Cc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC000029566774 EG Annotated Anodyne CC(=O)SCCC(=O)N1Cc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC000029566776 EG Annotated Anodyne NC(=O)N(O)[C@@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)C1CC1 ZINC000029566830 EG Annotated Mild NC(=O)N(O)[C@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)C1CC1 ZINC000029566833 EG Annotated Mild O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)[n+]([O-])c1 ZINC000029567179 EG Annotated Anodyne COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000029571215 EG Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000029571218 EG Annotated Mild COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000029571221 EG Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000029571224 EG Annotated Mild CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@H]2C1 ZINC000299804475 EG Annotated Mild CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@H]2C1 ZINC000299804476 EG Annotated Mild CC[C@@H](C)NC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000299804567 EG Annotated Anodyne CC[C@H](C)NC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000299804568 EG Annotated Anodyne CC[C@@H](C)NC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000299804569 EG Annotated Anodyne CC[C@H](C)NC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1 ZINC000299804570 EG Annotated Anodyne CCOC(=O)C(=O)/C=C\C(SCc1ccccc1)=C(\O)OCC ZINC000299804846 EG Annotated Mild COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 ZINC000299805039 EG Annotated Anodyne COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 ZINC000299805040 EG Annotated Anodyne COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 ZINC000299805041 EG Annotated Anodyne COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 ZINC000299805042 EG Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CCCC[C@@]1(CO)CC2)c1ccc(Cl)s1 ZINC000299806124 EG Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@H]1Br ZINC000299807094 EG Annotated Reactive CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@H](c2ccccc2)[C@]13C ZINC000299807702 EG Annotated Anodyne CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@@H](c2ccccc2)[C@]13C ZINC000299807705 EG Annotated Anodyne CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@H](c2ccccc2)[C@@]13C ZINC000299807707 EG Annotated Anodyne CCn1c(O)c(N=NC(=O)CNC(=O)c2ccco2)c2ccccc21 ZINC000299813174 EG Annotated Clean COC(=O)c1cc(N=Nc2sc(N)nc2C)cc(C(=O)OC)c1 ZINC000299813195 EG Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1 ZINC000299813222 EG Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1 ZINC000299813223 EG Annotated Clean Cc1c(N=NC2=C(O)CCCC2=O)c(=O)n(-c2ccccc2)n1C ZINC000299813346 EG Annotated Mild CCOC(=O)c1c(C)[nH]c(C(C)=NNC(=O)c2cccs2)c1C ZINC000299813856 EG Annotated Reactive CCCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2 ZINC000299814058 EG Annotated Mild COc1cccc([C@@]23CCC[C@@H](C2)NC[C@H]3Br)c1OC ZINC000299814240 EG Annotated Reactive CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O ZINC000299815987 EG Annotated Mild COc1ccc2[nH]c(C)cc(=NN=Cc3cccc([N+](=O)[O-])c3)c2c1 ZINC000299817945 EG Annotated Mild COc1ccc2c(=NN=Cc3cccc([N+](=O)[O-])c3)cc(C)[nH]c2c1 ZINC000299817949 EG Annotated Mild COc1ccc2[nH]c(C)cc(=NN=Cc3ccccc3[N+](=O)[O-])c2c1 ZINC000299817958 EG Annotated Mild COc1ccc2c(=NN=Cc3ccccc3[N+](=O)[O-])cc(C)[nH]c2c1 ZINC000299817981 EG Annotated Mild CC[N+](C)(CC)CCOCC(O)(c1ccccc1)c1ccccc1 ZINC000299818131 EG Annotated Bother CCOCCc1cnc(NC(=O)NC)c(Oc2cccnc2CC)c1 ZINC000299818736 EG Annotated Anodyne CCOc1ccc(Cc2nn3c(-c4cccnc4)nnc3s2)cc1 ZINC000299819216 EG Annotated Anodyne Cc1ccc(-c2cn(CCCN3C(=O)COc4ccccc43)nn2)cc1 ZINC000299819282 EG Annotated Anodyne N#Cc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)OC2=O)cc1 ZINC000299819304 EG Annotated Mild O=C1C=CC2(C=C1)OC(=O)C(c1ccc(CO)cc1)=C2c1ccccc1 ZINC000299819335 EG Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC(=O)[C@]13C[C@@H](CO)[C@H](CC[C@@H]21)C3 ZINC000299819589 EG Annotated Anodyne O=C1NN=C2C=C(c3ccccc3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000299819636 EG Annotated Bother O=C1NN=C2C=C(c3ccccc3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000299819637 EG Annotated Bother O=C1NN=C2C=C(c3ccccc3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000299819638 EG Annotated Bother O=C1NN=C2C=C(c3ccccc3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000299819639 EG Annotated Bother O=C1C=CC2(C=C1)OC(=O)C(c1ccc(O)cc1)=C2c1ccccc1 ZINC000299819900 EG Annotated Mild COc1ncc(-c2nc3cccnc3n2C2CCCC2)c(OC)n1 ZINC000299820143 EG Annotated Anodyne CCCCCCc1cn(CCCN2C(=O)COc3ccccc32)nn1 ZINC000299820796 EG Annotated Anodyne COc1cc(CCCC/C=C/C(=O)N2CCCC2)cc(OC)c1O ZINC000299821036 EG Annotated Anodyne C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4ccsc4)C(=O)O[C@@H]3[C@@H]1O2 ZINC000299821992 EG Annotated Anodyne COc1cc2ccn3c(CC(C)C)nc4c(O)nc(c1OC)c2c43 ZINC000299823051 EG Annotated Bother CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1ccccc1 ZINC000299823131 EG Annotated Anodyne CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1ccccc1 ZINC000299823133 EG Annotated Anodyne O=Cc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)OC2=O)s1 ZINC000299823717 EG Annotated Mild Nc1nc(CCCc2ccccc2O)nc2cn(-c3ccccc3)nc12 ZINC000299823851 EG Annotated Anodyne Cc1cc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)cs1 ZINC000299824163 EG Annotated Anodyne C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4cccs4)C(=O)O[C@@H]3[C@@H]1O2 ZINC000299824565 EG Annotated Anodyne CCNc1nnc(Cc2nc(O)c3c4c(sc3n2)CCCC4)s1 ZINC000299824751 EG Annotated Anodyne O=C(NCc1ccco1)c1ccc(CN2Cc3ccccc3C2=O)cc1 ZINC000299825643 EG Annotated Anodyne O=C(NCc1ccco1)c1ccc(Cn2oc3ccccc3c2=O)cc1 ZINC000299826739 EG Annotated Anodyne COc1ccc(C(=O)c2c(O)cc3c(c2O)CCC(C)(C)O3)cc1 ZINC000299827563 EG Annotated Anodyne N#Cc1ccc(/N=C2\c3ccccc3CN2c2ccc(C#N)nc2)cn1 ZINC000299827849 EG Annotated Mild COc1cc(CC/C=C/C=C/C(=O)N2CCCC2)cc(OC)c1OC ZINC000299827873 EG Annotated Anodyne N#Cc1ccc(/N=C2\c3ccccc3CN2c2ccc(C#N)cn2)nc1 ZINC000299827900 EG Annotated Mild c1cnc2c(c1)nc(-c1ccc(-c3nnn[nH]3)cc1)n2C1CCCC1 ZINC000299827973 EG Annotated Anodyne C#CCNC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccccc12 ZINC000299827994 EG Annotated Mild CC(C)C(=O)NC1=NN(C(=O)C(C)C)[C@](C)(c2ccccc2)S1 ZINC000299828061 EG Annotated Anodyne CC(C)C(=O)NC1=NN(C(=O)C(C)C)[C@@](C)(c2ccccc2)S1 ZINC000299828062 EG Annotated Anodyne c1ccc2[nH]c(CCC[C@H]3NC[C@H]4C[C@H]3CN3CCCC[C@H]43)nc2c1 ZINC000299828274 EG Annotated Anodyne c1ccc2[nH]c(CCC[C@@H]3NC[C@H]4C[C@H]3CN3CCCC[C@H]43)nc2c1 ZINC000299828276 EG Annotated Anodyne c1ccc2[nH]c(CCC[C@@H]3NC[C@H]4C[C@H]3CN3CCCC[C@@H]43)nc2c1 ZINC000299828279 EG Annotated Anodyne c1ccc2[nH]c(CCC[C@H]3NC[C@H]4C[C@H]3CN3CCCC[C@@H]43)nc2c1 ZINC000299828282 EG Annotated Anodyne O=C(Cc1ccc(-c2ccccc2)cc1)[C@@H]1Cc2cncn2C(=S)N1 ZINC000299828589 EG Annotated Anodyne CCCO[P@](=O)(O)OCCSC(=S)N1CCCCC1 ZINC000299828981 EG Annotated Anodyne COc1ccc2[nH]cc([C@]3(O)C(=O)Nc4ccc(Cl)cc43)c2c1 ZINC000299829783 EG Annotated Anodyne COc1ccc2[nH]cc([C@@]3(O)C(=O)Nc4ccc(Cl)cc43)c2c1 ZINC000299829785 EG Annotated Anodyne O=C1Nc2ccc(OC(F)(F)F)cc2[C@]1(O)c1c[nH]c2ccccc12 ZINC000299830561 EG Annotated Anodyne O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]1(O)c1c[nH]c2ccccc12 ZINC000299830564 EG Annotated Anodyne COc1cc([C@@H](O)CC=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299831245 EG Annotated Mild COc1cc([C@H](O)CC=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299831248 EG Annotated Mild CCc1noc(-c2cc3c(s2)C(=O)c2c(OC)cccc2C3=O)n1 ZINC000299831459 EG Annotated Clean CCCO[P@](=O)(O)OCCSC(=S)N1CCCCCC1 ZINC000299831779 EG Annotated Anodyne CCOC(=O)c1cc2c(n1CC)C(=O)C(Oc1ccccc1)=CC2=O ZINC000299832236 EG Annotated Mild COC(=O)CC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299832641 EG Annotated Anodyne COC(=O)CC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299832643 EG Annotated Anodyne CNCCNc1c(-c2nc3ccccc3[nH]2)c(O)nc2sccc12 ZINC000299833525 EG Annotated Anodyne Cc1ccc([C@H](c2ccccc2)c2oc(CO)cc(=O)c2O)s1 ZINC000299834011 EG Annotated Anodyne Cc1ccc([C@@H](c2ccccc2)c2oc(CO)cc(=O)c2O)s1 ZINC000299834013 EG Annotated Anodyne Nc1nc(-c2ccc(NC(=O)c3cc(F)c(F)c(F)c3)cc2)c[nH]1 ZINC000299834022 EG Annotated Anodyne Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12 ZINC000299834321 EG Annotated Anodyne O=S(=O)(Nc1ccc2cc[nH]c2c1)c1cnc2ccccc2c1O ZINC000299834322 EG Annotated Anodyne COc1cccc2c1C(=O)c1sc(C(=O)c3cccnc3)cc1C2=O ZINC000299834718 EG Annotated Clean C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](CO)C3 ZINC000299834832 EG Annotated Anodyne O=C1CCN(c2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1 ZINC000299835147 EG Annotated Anodyne COCCOC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299836286 EG Annotated Anodyne COCCOC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299836287 EG Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1 ZINC000299837221 EG Annotated Anodyne Cc1ccc(-c2ccc(COC(=O)N[C@H]3C(=O)O[C@H]3C)cc2)cc1 ZINC000299837692 EG Annotated Anodyne O=C1NN=C2C=C(c3cccs3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000299837904 EG Annotated Bother O=C1NN=C2C=C(c3cccs3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000299837905 EG Annotated Bother O=C1NN=C2C=C(c3cccs3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000299837907 EG Annotated Bother O=C1NN=C2C=C(c3cccs3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000299837909 EG Annotated Bother CC(C)(CF)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 ZINC000299838601 EG Annotated Anodyne CCc1ncccc1Oc1cc(CCCOC)cnc1NC(=O)NC ZINC000299838791 EG Annotated Anodyne COc1ccc2c(c1)[C@H](n1nnc3ccccc31)C1=C(CCCC1=O)O2 ZINC000299838966 EG Annotated Mild COc1ccc2c(c1)[C@@H](n1nnc3ccccc31)C1=C(CCCC1=O)O2 ZINC000299838968 EG Annotated Mild c1ccc(OCc2cc3n(n2)CCC[C@@H]3NCc2cccnc2)cc1 ZINC000299839719 EG Annotated Anodyne c1ccc(OCc2cc3n(n2)CCC[C@H]3NCc2cccnc2)cc1 ZINC000299839720 EG Annotated Anodyne c1ccc(OCc2cc3n(n2)CCC[C@@H]3NCc2ccncc2)cc1 ZINC000299840670 EG Annotated Anodyne c1ccc(OCc2cc3n(n2)CCC[C@H]3NCc2ccncc2)cc1 ZINC000299840671 EG Annotated Anodyne O=C(O)CC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299840753 EG Annotated Anodyne O=C(O)CC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299840754 EG Annotated Anodyne Fc1ccc(CNc2cc(N3CCCCC3)nc3ccnn23)cc1 ZINC000299841002 EG Annotated Anodyne Cc1cc(C[C@H]2COC[C@@H]2NCc2ccc(C(F)(F)F)cc2)on1 ZINC000299841689 EG Annotated Anodyne c1ccc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccsc2)nc1 ZINC000299841911 EG Annotated Anodyne CC(C)N(C)[C@H]1CCN(Cc2nccs2)[C@@H]1Cc1ccncc1 ZINC000299841917 EG Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC000299841991 EG Annotated Anodyne Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cccs2)o1 ZINC000299842023 EG Annotated Anodyne Cc1nc(COC[C@H]2CC[C@H]3[C@@H](CCN3c3ccccn3)O2)cs1 ZINC000299842085 EG Annotated Anodyne O=C(NCc1cccs1)[C@H]1CO[C@H]2CCN(C3CCCC3)C[C@@H]2C1 ZINC000299842178 EG Annotated Anodyne Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3Cc2ccncc2)s1 ZINC000299842235 EG Annotated Anodyne c1cncc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3cccs3)O2)c1 ZINC000299842334 EG Annotated Anodyne Fc1ccccc1CN1C[C@@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21 ZINC000299842415 EG Annotated Anodyne Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(C)oc2C)n1 ZINC000299842485 EG Annotated Anodyne CC[C@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC ZINC000299842510 EG Annotated Anodyne Fc1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@H]32)cc1 ZINC000299842531 EG Annotated Anodyne COc1cc(CN(C)[C@H]2COC[C@@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000299842538 EG Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2cccs2)C[C@H]2CCCO[C@@H]12 ZINC000299842617 EG Annotated Anodyne Cc1noc([C@H]2CCO[C@@H]3CCN(Cc4ccc(C)s4)C[C@@H]23)n1 ZINC000299842728 EG Annotated Anodyne COc1ccc(CN(C)[C@H]2COC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000299842760 EG Annotated Anodyne COc1ccc([C@H]2CN(Cc3ccncc3)C[C@@H]2c2cc[nH]n2)cc1 ZINC000299842799 EG Annotated Anodyne O=C(c1cccc(Cl)c1)N1CC[C@H]2[C@@H]1CCN2CC1CCOCC1 ZINC000299842813 EG Annotated Anodyne Cc1cccc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3ccco3)O2)n1 ZINC000299842871 EG Annotated Anodyne O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3cccc4ncccc34)C[C@H]21 ZINC000299842928 EG Annotated Anodyne COc1ccc(CN2C[C@H]3CCC[C@@H](CN(C)C4CC4)[C@@H]3C2)cn1 ZINC000299843094 EG Annotated Anodyne c1ccc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3cccs3)O2)nc1 ZINC000299843179 EG Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2ccsc2)C[C@H]2CCCO[C@@H]12 ZINC000299843205 EG Annotated Anodyne COCCO[C@H]1CCN(Cc2csc(C)n2)[C@@H]1Cc1ccccc1 ZINC000299843223 EG Annotated Anodyne Cc1ccc(CN2C[C@H](N(C)Cc3ccco3)[C@@H]3OCCC[C@@H]3C2)o1 ZINC000299843257 EG Annotated Anodyne c1cncc(OC[C@H]2CC[C@H]3[C@@H](CCN3Cc3cccs3)O2)c1 ZINC000299843425 EG Annotated Anodyne Cc1cccc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccsc2)n1 ZINC000299843471 EG Annotated Anodyne CN(Cc1ccco1)C[C@H]1OC[C@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000299843474 EG Annotated Anodyne Cc1ccc(CN2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)s1 ZINC000299843512 EG Annotated Anodyne CN(Cc1ccco1)C[C@H]1OC[C@H]2CCN(Cc3cccs3)C[C@H]21 ZINC000299843521 EG Annotated Anodyne C[C@H]1CN(Cc2ccsc2)C[C@]12CCN(Cc1cccnc1)C2=O ZINC000299843681 EG Annotated Anodyne CN(C)[C@H]1CN(Cc2cccnc2)C[C@@H]1c1cn(C)c2ccccc12 ZINC000299843733 EG Annotated Anodyne Cc1occc1C(=O)N1C[C@H]2CCC[C@@H](OCc3cccnc3)[C@@H]2C1 ZINC000299843774 EG Annotated Anodyne Cc1occc1C(=O)N1C[C@H]2CCC[C@H](OCc3cccnc3)[C@@H]2C1 ZINC000299843775 EG Annotated Anodyne Cc1cc(C[C@H]2COC[C@@H]2NCc2ccccc2C(F)(F)F)on1 ZINC000299843858 EG Annotated Anodyne CN(C)[C@H]1CN(Cc2ccccc2O)C[C@@H]1c1cn(C)c2ccccc12 ZINC000299843878 EG Annotated Clean Fc1ccc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@H]32)cc1 ZINC000299843932 EG Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@]12NNC(=S)N2 ZINC000299846687 EG Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@@]12NNC(=S)N2 ZINC000299846688 EG Annotated Anodyne CC(C)(C)[C@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1O2 ZINC000299846711 EG Annotated Mild CC(C)(C)[C@@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1O2 ZINC000299846713 EG Annotated Mild Cc1cc(C)c([C@@H]2C(=O)N3C[C@H]4CCCC[C@H]4CN3C2=O)c(C)c1 ZINC000299847290 EG Annotated Clean Cc1cc(C)c([C@H]2C(=O)N3C[C@H]4CCCC[C@H]4CN3C2=O)c(C)c1 ZINC000299847293 EG Annotated Clean Cc1cc([N+](=O)[O-])ccc1N=Nc1c(N)[nH]n(-c2ccccc2)c1=O ZINC000299847341 EG Annotated Clean O=C1O[C@@H](c2ccccc2)[C@@H]2C[C@H]3CC4(CC[C@H]3CN12)OCCO4 ZINC000299847480 EG Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H]2C[C@@H]3CC4(CC[C@H]3CN12)OCCO4 ZINC000299847487 EG Annotated Anodyne C[C@H]1CC[C@]23COC(=O)[C@@H]2[C@H](O)CC[C@H]3[C@]1(C)C[C@@H](O)c1ccoc1 ZINC000299847525 EG Annotated Anodyne C[C@H]1CC[C@]23COC(=O)[C@@H]2[C@H](O)CC[C@H]3[C@]1(C)C[C@H](O)c1ccoc1 ZINC000299847527 EG Annotated Anodyne O=C1C[C@@H]2CCCC[C@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000299847633 EG Annotated Bother O=C1C[C@@H]2CCCC[C@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000299847635 EG Annotated Bother O=C1C[C@@H]2CCC[C@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000299847636 EG Annotated Bother O=C1C[C@@H]2CCC[C@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000299847638 EG Annotated Bother COc1ccc2c(c1OC)C=N[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OCO[C@@H]3C[C@@H]12 ZINC000299848182 EG Annotated Anodyne COc1ccc2c(c1OC)C=N[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OCO[C@H]3C[C@@H]12 ZINC000299848185 EG Annotated Anodyne COc1ccc2c(c1OC)C=N[C@H]1[C@H]3C[C@@H]4OCO[C@H]4C[C@H]3CC[C@H]21 ZINC000299848187 EG Annotated Anodyne CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C ZINC000299848319 EG Annotated Mild in-vitro CN1C/C(=C\c2ccccc2)C2=NN(CCO)[C@H](c3ccccc3)[C@@H]2C1 ZINC000299848742 EG Annotated Anodyne CN1C/C(=C\c2ccccc2)C2=NN(CCO)[C@H](c3ccccc3)[C@H]2C1 ZINC000299848747 EG Annotated Anodyne CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@@H](O)C[C@H]1N(C)C ZINC000299849272 EG Annotated Anodyne CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@H](O)C[C@H]1N(C)C ZINC000299849274 EG Annotated Anodyne CC[C@H](C)Nc1nccc(-c2cnc3sc(C)c(C)n3c2=O)n1 ZINC000299849457 EG Annotated Anodyne NCCSc1nccc(-c2cnc(C3CC3)nc2-c2ccco2)n1 ZINC000299849869 EG Annotated Anodyne CS(=O)(=O)N1C[C@@]2(CCN(C3CCCCC3)C2)Cc2ccccc21 ZINC000299850084 EG Annotated Anodyne CS(=O)(=O)N1C[C@]2(CCN(C3CCCCC3)C2)Cc2ccccc21 ZINC000299850086 EG Annotated Anodyne O=C(NC[C@H]1CCCC[C@H]1O)c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000299850194 EG Annotated Anodyne CC(C)NC(=O)N1CC(=O)c2sc(NC3CCCCC3)nc2C1 ZINC000299850226 EG Annotated Anodyne Cc1ncc(-c2ccnc(N[C@@H](C)CO)n2)c(C2CCCCC2)n1 ZINC000299850237 EG Annotated Anodyne c1cncc(-c2nc(C3CC3)ncc2-c2ccnc(N3CCCC3)n2)c1 ZINC000299850240 EG Annotated Anodyne Cc1ncc(-c2ccnc(SCCN(C)C)n2)c(-c2ccco2)n1 ZINC000299850282 EG Annotated Anodyne CC(C)CC(=O)N1CC(=O)c2sc(NC3CCCCC3)nc2C1 ZINC000299850287 EG Annotated Anodyne CN1CCCN(c2nccc(-c3c[nH]nc3C3CCCCC3)n2)CC1 ZINC000299850302 EG Annotated Anodyne Cn1cc(C(=O)N2CCC[C@@H](Cc3cncc4ccccc34)C2)cn1 ZINC000299850350 EG Annotated Anodyne Cn1cc(C(=O)N2CCC[C@H](Cc3cncc4ccccc34)C2)cn1 ZINC000299850351 EG Annotated Anodyne c1cnnc(N[C@@H]2CC[C@@H]3CN(Cc4ccc5[nH]ccc5c4)C[C@@H]32)c1 ZINC000299850444 EG Annotated Anodyne CN1CCC(Cc2cccc(-c3cc(F)ccc3C(=O)O)n2)CC1 ZINC000299850464 EG Annotated Anodyne CN1N=C2/C(=C/c3ccccc3)CN(C(N)=O)C[C@@H]2[C@H]1c1ccccc1 ZINC000299850696 EG Annotated Anodyne c1cnnc(N[C@@H]2CC[C@@H]3CN(Cc4ccc5cc[nH]c5c4)C[C@@H]32)c1 ZINC000299850739 EG Annotated Anodyne O=C(c1cnccn1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 ZINC000299850800 EG Annotated Anodyne O=C(c1cnccn1)N1CCC[C@H](Cc2cccc3ncccc23)C1 ZINC000299850801 EG Annotated Anodyne CO[C@H]1CN(C(=O)c2ccc3oc(C)cc3c2)CC[C@@]12CCCO2 ZINC000299850841 EG Annotated Anodyne c1cnnc(N[C@@H]2CC[C@@H]3CN(Cc4c[nH]c5ccccc45)C[C@@H]32)c1 ZINC000299850998 EG Annotated Anodyne Cc1cc(-c2cc(F)ccc2C(=O)O)nc([C@@H]2CCCN(C)C2)n1 ZINC000299851000 EG Annotated Anodyne Cc1cc(-c2cc(F)ccc2C(=O)O)nc([C@H]2CCCN(C)C2)n1 ZINC000299851001 EG Annotated Anodyne CC(C)N1CC[C@H](Cc2cc(-c3cc(F)ccc3C(=O)O)ncn2)C1 ZINC000299851003 EG Annotated Anodyne CC(C)N1CC[C@@H](Cc2cc(-c3cc(F)ccc3C(=O)O)ncn2)C1 ZINC000299851004 EG Annotated Anodyne O=C(c1cnccn1)N1CCC[C@@H](Cc2cncc3ccccc23)C1 ZINC000299851016 EG Annotated Anodyne O=C(c1cnccn1)N1CCC[C@H](Cc2cncc3ccccc23)C1 ZINC000299851017 EG Annotated Anodyne Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2O)cc1O ZINC000299851472 EG Annotated Clean Cc1nc(-c2ccccc2C(=O)O)cc([C@H]2CCN(C(C)C)C2)n1 ZINC000299851480 EG Annotated Anodyne Cc1nc(-c2ccccc2C(=O)O)cc([C@@H]2CCN(C(C)C)C2)n1 ZINC000299851481 EG Annotated Anodyne CC(C)CN1C[C@H](COCc2ccccc2)Oc2ncccc2C1=O ZINC000299851744 EG Annotated Anodyne C=C1[C@@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3 ZINC000299852072 EG Annotated Mild COCCOC(=O)N1CC2=CC(C)(C)COc3ccc(OC)c(c32)C1 ZINC000299852337 EG Annotated Anodyne Cc1ccc(CCN2CCC[C@]23Cc2ccccc2CNC3=O)cc1 ZINC000299852546 EG Annotated Anodyne Cc1ccc(CCN2CCC[C@@]23Cc2ccccc2CNC3=O)cc1 ZINC000299852547 EG Annotated Anodyne O=C(c1ccc(Cl)cc1)N1C[C@@]2(CCNC2)OCc2ccccc21 ZINC000299852592 EG Annotated Anodyne O=C(c1ccc(Cl)cc1)N1C[C@]2(CCNC2)OCc2ccccc21 ZINC000299852593 EG Annotated Anodyne Cn1ccc2ccnc(CC3CN(C(=O)C4CCC(F)(F)CC4)C3)c21 ZINC000299852862 EG Annotated Anodyne CCC[C@H]1CN(CCOc2ccccc2)C(=O)c2cccnc2O1 ZINC000299852888 EG Annotated Anodyne CCC[C@@H]1CN(CCOc2ccccc2)C(=O)c2cccnc2O1 ZINC000299852889 EG Annotated Anodyne CNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)c1 ZINC000299853369 EG Annotated Anodyne COc1nccc(N2CCC(N(C)Cc3ccccc3Cl)CC2)n1 ZINC000299854547 EG Annotated Anodyne O=S(=O)(CCC(F)=C(F)F)c1ncc(-c2ccncc2)s1 ZINC000299855517 EG Annotated Anodyne C=C(C(=O)O)[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@H](C)[C@H]2CC(=O)C(C)=C[C@H]21 ZINC000299855615 EG Annotated Mild COc1ccc(/N=C/c2ccc(OC(C)=O)c(OC)c2[N+](=O)[O-])cc1 ZINC000299855837 EG Annotated Mild COc1cc(C2=CCOc3cc(CO)ccc32)cc(OC)c1OC ZINC000299856147 EG Annotated Anodyne CC(C)CCOc1cccc(-c2cc([S@](C)=O)c(C#N)c(O)n2)c1 ZINC000299856444 EG Annotated Mild CC(C)CCOc1cccc(-c2cc([S@@](C)=O)c(C#N)c(O)n2)c1 ZINC000299856445 EG Annotated Mild COc1ccc2c(c1N)OCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000299856531 EG Annotated Anodyne C=CCOc1nc([C@@](C)(O)c2ccc(OC)cc2)c2ccccc2n1 ZINC000299856788 EG Annotated Mild C=CCOc1nc([C@](C)(O)c2ccc(OC)cc2)c2ccccc2n1 ZINC000299856789 EG Annotated Mild CN(C)CCn1c(/C=C/c2ccc(F)cc2)nc2ccccc2c1=O ZINC000299857024 EG Annotated Anodyne COc1nccc(N2CCC(N(C)Cc3cccc(Cl)c3)CC2)n1 ZINC000299857195 EG Annotated Anodyne Cc1ccc(C)c(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c1 ZINC000299857409 EG Annotated Mild C=CCc1ccc(OCc2cn(-c3cccc(C#N)c3)nn2)c(O)c1 ZINC000299857803 EG Annotated Mild CCN(CCO)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 ZINC000299857893 EG Annotated Reactive COc1ccc(-c2ccc3nnc(-c4ccc(O)c(OC)c4)n3c2)cn1 ZINC000299857967 EG Annotated Anodyne C=C1C(=O)OC[C@@H]1CCOC(=O)Nc1ccc(Br)cc1 ZINC000299858583 EG Annotated Mild C=C1C(=O)OC[C@H]1CCOC(=O)Nc1ccc(Br)cc1 ZINC000299858584 EG Annotated Mild COc1ccc2c3nc4ccccc4n(CCN(C)C)c-3cc(=O)c2c1 ZINC000299858706 EG Annotated Bother CN(C)CCCn1c(/C=C/c2cccc(O)c2)nc2ccccc2c1=O ZINC000299859533 EG Annotated Anodyne O=c1[nH]n2c(O)c3c(nc2c1/N=N/c1ccccc1Cl)CCC3 ZINC000299860414 EG Annotated Clean COc1ccc2[nH]c(CCCO)c(/C=C/C(=O)c3ccncc3)c2c1 ZINC000299860616 EG Annotated Mild CC1(C)Cc2c(-c3ccc(Br)cc3)n[nH]c2[C@H](C(N)=O)C1 ZINC000299860778 EG Annotated Anodyne CC1(C)Cc2c(-c3ccc(Br)cc3)n[nH]c2[C@@H](C(N)=O)C1 ZINC000299860779 EG Annotated Anodyne CO[C@H]1CCN(C(=O)CC(C)(C)C)CC(=O)N(C)c2ccccc21 ZINC000299860790 EG Annotated Anodyne CO[C@@H]1CCN(C(=O)CC(C)(C)C)CC(=O)N(C)c2ccccc21 ZINC000299860791 EG Annotated Anodyne CCOP(=O)(OCC)[C@H]1CCN(OCc2ccccc2)C(=O)C1 ZINC000299861081 EG Annotated Anodyne CCOP(=O)(OCC)[C@@H]1CCN(OCc2ccccc2)C(=O)C1 ZINC000299861082 EG Annotated Anodyne O=c1c2nccn2c2c(n1C1CC1)-c1cccc(-c3ccccn3)c1C2 ZINC000299861582 EG Annotated Anodyne CSc1nccc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)n1 ZINC000299862280 EG Annotated Anodyne CNCc1nc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)s1 ZINC000299862384 EG Annotated Anodyne CCn1c(NC(C)C)nc2c(-c3ccnc(OC)c3)csc2c1=O ZINC000299863115 EG Annotated Anodyne COc1cc(N2CCC(N(C)Cc3cccc(Cl)c3)CC2)ncn1 ZINC000299863452 EG Annotated Anodyne COc1ccc2c(c1O)OCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000299863504 EG Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](O)c1ccoc1 ZINC000299863520 EG Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](O)c1ccoc1 ZINC000299863521 EG Annotated Mild COc1ccc2c(c1O)OCC[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299863534 EG Annotated Anodyne COc1ccc2c(c1O)OCC[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299863535 EG Annotated Anodyne COc1ccc2c(c1N)OCC[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299864217 EG Annotated Anodyne COc1ccc2c(c1N)OCC[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299864218 EG Annotated Anodyne O=C1NC2=C(CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1O ZINC000299864264 EG Annotated Bother CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ncc[nH]1 ZINC000299864274 EG Annotated Clean Cc1cc2nc(CCc3ccccc3)n(S(C)(=O)=O)c2cc1C ZINC000299864570 EG Annotated Anodyne Cc1ccc(O)c(N2CC=C(c3cccc([N+](=O)[O-])c3)NC2=O)c1 ZINC000299865071 EG Annotated Bother CSc1nccc(N2CCC(N(C)Cc3cccc(F)c3)CC2)n1 ZINC000299865830 EG Annotated Anodyne COc1cccc(N2CC=C(c3cccc([N+](=O)[O-])c3)NC2=O)c1 ZINC000299866196 EG Annotated Bother C=CCc1ccc(OCc2cn(-c3ccc(C#N)cc3)nn2)c(O)c1 ZINC000299866410 EG Annotated Mild O=c1cc(CO)oc([C@H]2C=C(c3ccccc3)Oc3ccccc32)c1O ZINC000299866413 EG Annotated Anodyne O=c1cc(CO)oc([C@@H]2C=C(c3ccccc3)Oc3ccccc32)c1O ZINC000299866414 EG Annotated Anodyne CC(C)CN1C(=O)C(=Cc2ccccc2)C(=O)N(CC(C)C)C1=O ZINC000299866491 EG Annotated Clean Cc1ccc(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c(C)c1 ZINC000299866644 EG Annotated Mild CO[C@@H]1CN(C(=O)CC2CCCC2)CCC(=O)N(C)c2ccccc21 ZINC000299867301 EG Annotated Anodyne CO[C@H]1CN(C(=O)CC2CCCC2)CCC(=O)N(C)c2ccccc21 ZINC000299867302 EG Annotated Anodyne CCCCNc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 ZINC000299867804 EG Annotated Reactive O=C1C[C@H](Sc2ccccc2F)N1C(=O)NCc1ccccc1 ZINC000299867869 EG Annotated Anodyne O=C1C[C@@H](Sc2ccccc2F)N1C(=O)NCc1ccccc1 ZINC000299867870 EG Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN[C@@H](c2cccs2)C1 ZINC000299868619 EG Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN[C@H](c2cccs2)C1 ZINC000299868620 EG Annotated Anodyne C=C1C(=O)OC[C@@H]1CCOC(=O)Nc1cccc(Br)c1 ZINC000299868960 EG Annotated Mild C=C1C(=O)OC[C@H]1CCOC(=O)Nc1cccc(Br)c1 ZINC000299868961 EG Annotated Mild CN1CCN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000299869488 EG Annotated Reactive CO[C@H]1CN(C(=O)CC(C)(C)C)CCC(=O)N(C)c2ccccc21 ZINC000299869514 EG Annotated Anodyne CO[C@@H]1CN(C(=O)CC(C)(C)C)CCC(=O)N(C)c2ccccc21 ZINC000299869515 EG Annotated Anodyne CC(C)CC1=C[C@H](c2oc(CO)cc(=O)c2O)c2ccccc2O1 ZINC000299869704 EG Annotated Anodyne CC(C)CC1=C[C@@H](c2oc(CO)cc(=O)c2O)c2ccccc2O1 ZINC000299869705 EG Annotated Anodyne O=C1C[C@H](Sc2cccc(F)c2)N1C(=O)NCc1ccccc1 ZINC000299871114 EG Annotated Anodyne O=C1C[C@@H](Sc2cccc(F)c2)N1C(=O)NCc1ccccc1 ZINC000299871115 EG Annotated Anodyne CO[C@@H]1CCN(C(=O)CC2CCCC2)CC(=O)N(C)c2ccccc21 ZINC000299871264 EG Annotated Anodyne CO[C@H]1CCN(C(=O)CC2CCCC2)CC(=O)N(C)c2ccccc21 ZINC000299871265 EG Annotated Anodyne Cc1cc(C)cc(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c1 ZINC000299871381 EG Annotated Mild CCOc1nn(-c2ncc(CC)cn2)c(C)c1C(=O)c1ccccc1 ZINC000299872080 EG Annotated Anodyne COc1ccc(/C=N/c2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC000299872087 EG Annotated Mild CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@@H](C)CC[C@@H]24)CC1 ZINC000299873779 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299874388 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299874389 EG Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@H](O)C[C@@H]2C ZINC000299877040 EG Annotated Mild C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C[C@H]2C ZINC000299877041 EG Annotated Mild C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C[C@@H]2C ZINC000299877042 EG Annotated Mild CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299878332 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299878333 EG Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@H]4CCCO4)[C@H]3C[C@H]12 ZINC000299884979 EG Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@H]4CCCO4)[C@H]3C[C@@H]12 ZINC000299884980 EG Annotated Anodyne C[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)C1 ZINC000299885019 EG Annotated Anodyne C[C@H]1CC[C@H]2[C@H](CN3CCC[C@@H](C)C3)C(=O)O[C@@]23[C@H]2O[C@]2(C)CC[C@H]13 ZINC000299885020 EG Annotated Anodyne C[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@@H]24)C1 ZINC000299885021 EG Annotated Anodyne C[C@H]1CC[C@H]2[C@H](CN3CCC[C@@H](C)C3)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13 ZINC000299885022 EG Annotated Anodyne Cc1cc(OCCCn2cnc3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000003000683 EG Annotated Bother CC(C)CC/N=C(\O)CCNC(=O)c1ccc(Br)o1 ZINC000003017973 EG Annotated Anodyne COc1ccc(Cl)cc1NC(=O)[C@H]1CSC(c2ccncc2)=N1 ZINC000003030088 EG Annotated Anodyne COc1ccc(Cl)cc1NC(=O)[C@@H]1CSC(c2ccncc2)=N1 ZINC000003030090 EG Annotated Anodyne Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3C)sc2n1 ZINC000003030654 EG Annotated Anodyne Cc1ccccc1Cc1c(C)nc2c(C(=O)n3ccnc3)cnn2c1C ZINC000003033434 EG Annotated Anodyne CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1cccc(C)c1 ZINC000003040051 EG Annotated Anodyne CN(C)C=NC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 ZINC000003069935 EG Annotated Anodyne CC(C)C1=CC(=NOS(=O)(=O)c2ccccc2)C=C(C(C)C)C1=O ZINC000003078333 EG Annotated Mild C[C@@]12CC[C@H]3C[C@]1(C#N)N(NC(=O)c1ccc(Cl)cc1)C[C@]32C ZINC000003105554 EG Annotated Mild C[C@@H]1CC(=O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CCC[C@]31CO1 ZINC000003108772 EG Annotated Anodyne CCN(CC)[P@@](=S)(c1ccccc1)c1c(C)nc2ccccn12 ZINC000003124057 EG Annotated Reactive CCN(CC)[P@](=S)(c1ccccc1)c1c(C)nc2ccccn12 ZINC000003124058 EG Annotated Reactive Cn1c(CC(=O)c2ccc(Br)cc2)[n+](C)c2ccccc21 ZINC000003176778 EG Annotated Anodyne Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1 ZINC000003192470 EG Annotated Anodyne Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2CC(=O)N(C)c1ccccc1 ZINC000003194115 EG Annotated Anodyne O=C(c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)c1ncccn1 ZINC000003196784 EG Annotated Anodyne CC1=C2[C@@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C ZINC000003197426 EG Annotated Mild Cc1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C)c1O2 ZINC000003197684 EG Annotated Anodyne in-vitro CC(=O)c1c(O)c(C)c(O)c2c1oc1c(C(C)=O)c(O)c(C)c(O)c12 ZINC000003197694 EG Annotated Anodyne in-vitro Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(C)n(C3CC3)c2C)cc1 ZINC000003201894 EG Annotated Mild O=S1(=O)CCN2C(c3cc(Cl)ccc3Cl)=CSC2=N1 ZINC000003212610 EG Annotated Anodyne COc1cc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1 ZINC000003223027 EG Annotated Anodyne FC(F)Oc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1 ZINC000003223201 EG Annotated Mild COc1cc([C@H]2NC(c3ccccc3)=NO2)cc(Br)c1O ZINC000003233212 EG Annotated Anodyne COc1cc([C@@H]2NC(c3ccccc3)=NO2)cc(Br)c1O ZINC000003233213 EG Annotated Anodyne Oc1ccc(-c2n[nH]cc2-c2ccn(-c3ccccc3)n2)c(O)c1O ZINC000003240397 EG Annotated Clean Cc1cc(NC(=O)Cc2cn3ccsc3n2)n(-c2ccccc2)n1 ZINC000003242377 EG Annotated Anodyne Cc1ccc(S(=O)(=O)/N=c2\ccc(Cl)cn2C(F)F)cc1 ZINC000003251806 EG Annotated Anodyne Cc1nc2ccccn2c1[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 ZINC000003270937 EG Annotated Anodyne Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1OC(F)F ZINC000003276401 EG Annotated Mild Cc1cc(/C=N/N2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000003291984 EG Annotated Mild CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(O)ccc1N ZINC000003297034 EG Annotated Anodyne Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(OC(F)F)cc1 ZINC000003299928 EG Annotated Mild CCOc1cccc(/C=N/N=C/c2cccc(OCC)c2O)c1O ZINC000003310221 EG Annotated Mild Cc1cc(C(=O)COC(=O)c2ccncc2)c(C)n1Cc1ccco1 ZINC000003314031 EG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F ZINC000003319450 EG Annotated Mild O=C(CO/N=C/c1ccccc1OC(F)F)NC1CCCCC1 ZINC000003319804 EG Annotated Mild O=C(CO/N=C/c1ccccc1OC(F)F)N1CCc2ccccc21 ZINC000003324159 EG Annotated Mild O=C(CO/N=C/c1ccccc1OC(F)F)NCc1cccs1 ZINC000003329641 EG Annotated Mild O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCc2ccccc21 ZINC000003330004 EG Annotated Mild C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 ZINC000003332579 EG Annotated Mild O=C(CO/N=C/c1ccc(OC(F)F)cc1)NCc1cccs1 ZINC000003333285 EG Annotated Mild Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(C(=O)O)cc1 ZINC000003342343 EG Annotated Mild CN(C)[C@@H](CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000003365786 EG Annotated Anodyne CN(C)[C@H](CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000003365789 EG Annotated Anodyne O=C(O)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12 ZINC000003378649 EG Annotated Anodyne C[C@H]1CCc2c(C(=O)Oc3cccc(-n4cnnn4)c3)csc2C1 ZINC000003398713 EG Annotated Anodyne C[C@@H]1CCc2c(C(=O)Oc3cccc(-n4cnnn4)c3)csc2C1 ZINC000003398716 EG Annotated Anodyne Cc1c(-c2cc[n+]([O-])cc2)oc2ccc(Br)cc2c1=O ZINC000003419176 EG Annotated Anodyne COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(F)cc1)N(C)C ZINC000003441456 EG Annotated Anodyne COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(F)cc1)N(C)C ZINC000003441459 EG Annotated Anodyne O=Cc1cc2ccccc2cc1N=CCOS(=O)(=O)C(F)(F)F ZINC000301054795 EG Annotated Unstable CC(C)(C)OC(=O)N1CCC2(CC1)CC(=NO)c1ccccc1O2 ZINC000301055236 EG Annotated Mild CCCN1C[C@H](C[S@](C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21 ZINC000306147284 EG Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000031158339 EG Annotated Anodyne CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@H]12 ZINC000031165907 EG Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=C[C@@H](O)OC1=O ZINC000031168144 EG Annotated Mild C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@@H]1CCC(=O)N2 ZINC000031829846 EG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5nonc5CC[C@]34C)[C@@H]1CCC(=O)N2 ZINC000031829847 EG Annotated Anodyne O=C1c2ccccc2C(=O)N1/N=C\c1ccc(Br)cc1 ZINC000031840332 EG Annotated Mild COc1ccc(N/N=C/C2=CC(C)(C)C(C#N)(C#N)C(O)=C2C#N)cc1 ZINC000031861954 EG Annotated Reactive O=[N+]([O-])c1cccnc1NCC1(CO)CC(Cc2ccccc2)C1 ZINC000031862435 EG Annotated Bother COc1ccc(/C=C2\N=C(SC)N(CN3CCCCC3)C2=O)cc1 ZINC000031872385 EG Annotated Anodyne CSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1CN1CCCCC1 ZINC000031872387 EG Annotated Anodyne N#Cc1c(N2CC[C@@H](O)C2)c2ccccc2n2c1nc1ccccc12 ZINC000031896068 EG Annotated Mild CCOC(=O)c1cc2c([nH]1)C(=O)CC1=C2CCN1Cc1ccccc1 ZINC000031896911 EG Annotated Anodyne Clc1cc(N2CCOCC2)nc2nc(N3CCCCC3)ccc12 ZINC000032037611 EG Annotated Anodyne Cc1ccc2c(N3CCOCC3)c(C)c(N3CCCCC3)nc2n1 ZINC000032037635 EG Annotated Anodyne CCOC(=O)C(=C(O)c1ccccc1)n1c(C)[n+](C)c2ccccc21 ZINC000032067896 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13[C@H](O)O[C@H]4OC(=O)[C@H](CC[C@H]21)[C@@H]43 ZINC000032072146 EG Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C=C[C@@H]3C(C)(C)[C@@H](O)CC[C@]23C)C1=O ZINC000032264396 EG Annotated Mild CC[C@@H]1C[C@H]2C[C@H]3[C@@H]1N(CC[C@]31Nc3ccc(OC)cc3C1=O)C2 ZINC000032297242 EG Annotated Anodyne COC(=O)/C(C)=C/COc1ccc2c(OC)c3ccoc3nc2c1 ZINC000032297565 EG Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H]2CCCN3CCCC[C@H]23)ccc1O ZINC000032302903 EG Annotated Anodyne Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1 ZINC000327091291 EG Annotated Anodyne Cc1ccc(CN2C[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2=O)cc1 ZINC000033028648 EG Annotated Anodyne Cc1ccc(CN2C[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2=O)cc1 ZINC000033028649 EG Annotated Anodyne Cc1ccc(CN2C[C@@H](C(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)CC2=O)cc1 ZINC000033028650 EG Annotated Anodyne Cc1ccc(CN2C[C@@H](C(=O)N[C@H]3CCC[C@H](C)[C@H]3C)CC2=O)cc1 ZINC000033028651 EG Annotated Anodyne O=C(CNc1cccc2ccccc12)N/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000033282100 EG Annotated Reactive CC(/C=N\NC(=O)c1cc(-c2cccn2C)n[nH]1)=C\c1ccccc1 ZINC000033284296 EG Annotated Reactive C[C@H](C(=O)/N=C1/C=C(C2CC2)N=N1)c1ccc(N2CCNC2=O)cc1 ZINC000033295965 EG Annotated Mild in-vivo CC(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000033362984 EG Annotated Anodyne CC(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000033362985 EG Annotated Anodyne CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000033362986 EG Annotated Anodyne CC(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000033362987 EG Annotated Anodyne CC(/C=N\NC(=O)CCn1nnc2ccccc21)=C\c1ccccc1 ZINC000033363210 EG Annotated Reactive Cc1cc(SCC2=NNC(=O)/C2=C\N(C)C)c(Cl)cc1Cl ZINC000033381032 EG Annotated Clean O=C(O[C@@H](C(=O)NCc1ccco1)c1ccc(F)cc1)c1ccco1 ZINC000033696019 EG Annotated Anodyne O=C(O[C@H](C(=O)NCc1ccco1)c1ccc(F)cc1)c1ccco1 ZINC000033696020 EG Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000033803680 EG Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000033803681 EG Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000033803682 EG Annotated Mild in-man CO[C@@H]1O[C@@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@@H]1N(C)C ZINC000033815026 EG Annotated Anodyne CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@@H]1N(C)C ZINC000033815027 EG Annotated Anodyne CO[C@@H]1O[C@@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@H]1N(C)C ZINC000033815028 EG Annotated Anodyne CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@H]1N(C)C ZINC000033815029 EG Annotated Anodyne CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@H](O)C[C@@H]1N(C)C ZINC000033815035 EG Annotated Anodyne CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@@H](O)C[C@@H]1N(C)C ZINC000033815037 EG Annotated Anodyne O=C1NCc2ccccc2OCC/C=C\c2cncc3ccc1nc23 ZINC000033817209 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@]4(CC[C@@H]21)OC[C@]4(O)C3 ZINC000033830127 EG Annotated Anodyne in-vitro biogenic CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2N ZINC000033832040 EG Annotated Clean in-man biogenic COC(=O)c1cncc2c1C=C[C@H]1c3[nH]c4ccccc4c3CCN1C2 ZINC000033832930 EG Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000033833055 EG Annotated Mild in-vitro biogenic CCOc1cc2c(C(=O)O)cn(CC(C)C)c(=O)c2cc1OCC ZINC000033834175 EG Annotated Anodyne C[C@H]1CN(/C(S)=N/N[C@@H](C)c2nccc3ccccc23)C[C@H](C)O1 ZINC000033845801 EG Annotated Mild C[N+](C)(C)CCCN1CCN(c2ccccc2)c2ccccc2C1=O ZINC000033854389 EG Annotated Bother C[C@@H](C[N+](C)(C)C)N1CCN(c2ccccc2)c2ccccc2C1=O ZINC000033854391 EG Annotated Bother C[C@H](C[N+](C)(C)C)N1CCN(c2ccccc2)c2ccccc2C1=O ZINC000033854393 EG Annotated Bother C=C(c1cc(C)cc(C)c1OC[C@H](O)CNC(C)(C)C)n1ccnc1 ZINC000033886638 EG Annotated Anodyne C=C(c1cc(C)cc(C)c1OC[C@@H](O)CNC(C)(C)C)n1ccnc1 ZINC000033886639 EG Annotated Anodyne COC(=O)[C@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1 ZINC000033913689 EG Annotated Mild COC(=O)[C@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1 ZINC000033913690 EG Annotated Mild COC(=O)[C@@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1 ZINC000033913691 EG Annotated Mild COC(=O)[C@@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1 ZINC000033913692 EG Annotated Mild CCCOCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000033922997 EG Annotated Anodyne O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N=C1O ZINC000033929197 EG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O ZINC000033940398 EG Annotated Mild C=C1C[C@]23C[C@H]1CC=C2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000033952888 EG Annotated Mild in-vitro biogenic C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3)CO ZINC000033955878 EG Annotated Mild COc1cc2ccc([C@](O)(c3cnc[nH]3)C(C)C)cc2cc1OC ZINC000033974951 EG Annotated Anodyne Cc1ccc([C@H](O)[C@@H]2CN(C)CC[C@@]2(O)c2ccc(C)cc2)cc1 ZINC000033981663 EG Annotated Anodyne C/C1=C\C=C(\[C@@](C)(O)CO)C[C@H](O)/C(C)=C/CC[C@]2(C)O[C@H]2CC1 ZINC000033982073 EG Annotated Anodyne OC1CCN(CC2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000033982538 EG Annotated Anodyne Cc1c(Cc2cc(Cl)cc(Cl)c2)c(N(C)C)nn1CCO ZINC000033993541 EG Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O ZINC000033997141 EG Annotated Anodyne Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccnn3)N2)cc1 ZINC000034005945 EG Annotated Anodyne Cc1nc2c(-c3ccc(O)cc3)[nH]c(-c3ccc(O)cc3)cn-2c1=O ZINC000034028871 EG Annotated Anodyne Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 ZINC000034029051 EG Annotated Anodyne Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br ZINC000034029194 EG Annotated Anodyne Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncnc3)=N2)cc1 ZINC000034053691 EG Annotated Anodyne CCc1nn(CCO)c(N(C)C)c1Cc1cc(Cl)cc(Cl)c1 ZINC000034054035 EG Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000034059155 EG Annotated Mild C/C1=C\C=C(\[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1 ZINC000034059394 EG Annotated Reactive CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\C#N)c1 ZINC000034080930 EG Annotated Reactive CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/C#N)c1 ZINC000034080934 EG Annotated Reactive CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(\C)C#N)c1 ZINC000034080940 EG Annotated Reactive CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C(C)=C/C#N)c1 ZINC000034080953 EG Annotated Reactive C[C@]1(COc2ccc(C(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000034086758 EG Annotated Bother C=C(C=O)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)CC[C@]1(C)CC(=O)O2 ZINC000034093646 EG Annotated Reactive COc1cccc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 ZINC000034093701 EG Annotated Reactive COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 ZINC000034093702 EG Annotated Reactive CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)CO[C@@H](C1=CCOC1=O)C3 ZINC000034093776 EG Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@H]12)CO[C@@H](C1=CCOC1=O)C3 ZINC000034093777 EG Annotated Anodyne C=C1CC[C@H]2[C@@H]([C@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)C2(C)C ZINC000034093902 EG Annotated Mild C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)[C@@H](O)OC3=O ZINC000034093918 EG Annotated Anodyne CC(C)CC(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000034101445 EG Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)C[C@H]1C=C(Cl)Cl ZINC000034132159 EG Annotated Anodyne CC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)C[C@@H]1C=C(Cl)Cl ZINC000034132162 EG Annotated Anodyne CC1(C)O[C@H]2c3ccc(O)cc3OC[C@@]2(Cc2ccc(O)c(O)c2)O1 ZINC000034165775 EG Annotated Clean in-vitro biogenic CC1(C)O[C@H]2c3ccc(O)cc3OC[C@@]2(Cc2ccc(O)cc2)O1 ZINC000034165777 EG Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CC/C=C(/C)CCC[C@H](C)[C@H]2O ZINC000034172714 EG Annotated Mild CNc1nc(Cl)c(Sc2ccccc2)c(N2CCN(C)CC2)n1 ZINC000034190063 EG Annotated Anodyne COC(=O)C[C@@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC[C@@]1(C)OC(C)=O ZINC000034277919 EG Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000034322438 EG Annotated Bother O=c1c(-c2cccnc2F)cc(-c2ccccn2)cn1-c1cccnc1 ZINC000034334558 EG Annotated Anodyne COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1 ZINC000034334942 EG Annotated Reactive COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1 ZINC000034334944 EG Annotated Reactive CC[C@H]1CN(C)[C@H](c2[nH]c3ccccc3c2CCO)C[C@@H]1CCO ZINC000034338056 EG Annotated Anodyne C=C1CC[C@@H](O)[C@@]2(C)CC[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C ZINC000034345454 EG Annotated Mild CCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1 ZINC000034362620 EG Annotated Anodyne NC/C=C/CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000034373197 EG Annotated Anodyne NC/C=C/CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000034373198 EG Annotated Anodyne Oc1c(-c2n[nH]c(Cc3ccc(Cl)cc3)n2)ncc2cccnc12 ZINC000034432909 EG Annotated Anodyne C[C@H]1C[C@@H](O)[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCOC1=O ZINC000034433942 EG Annotated Anodyne in-vitro biogenic Cc1ccc2c(c1C(=O)/C=C/C(C)(C)O)C(=O)C(O)=C(C(C)C)C2=O ZINC000034469473 EG Annotated Mild CC[C@H]1C[N+]23CCc4c([nH]c5c(C(=O)O)c(O)ccc45)[C@@H]2C[C@@H]1CC3 ZINC000034495443 EG Annotated Bother Oc1ccc(O)c2c1C=C[C@@H](O)C21Oc2cccc3cccc(c23)O1 ZINC000034499501 EG Annotated Anodyne C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CCOC1=O ZINC000034503152 EG Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000034534061 EG Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@]1(C)CC[C@@H](O)[C@@]2(C)[C@H]1CC=C1C(=O)O[C@@H](O)[C@@H]12 ZINC000034534065 EG Annotated Anodyne C[C@H]1C[C@@H](O)[C@]23C(=CCC[C@@H]2[C@@]1(C)CCc1ccoc1)CO[C@H]3O ZINC000034541965 EG Annotated Anodyne Cc1occc1[C@H]1CC[C@H]2[C@@H](CC=C3C[C@@H](O)[C@H](O)C[C@@]32C)C1=O ZINC000034542067 EG Annotated Anodyne in-vitro biogenic CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccnc3)nnc1-2 ZINC000034556927 EG Annotated Anodyne CC(C)Oc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12 ZINC000034578072 EG Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C(=O)O[C@@]2(/C=C/C=C(C)C)CO ZINC000034598584 EG Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@](O)(CC[C@H]12)[C@@]1(CO1)C3 ZINC000034598637 EG Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@@H]3C=C[C@](C)(O)[C@H](O)C[C@]3(C)CC[C@@]21C(=O)O ZINC000034598696 EG Annotated Anodyne CCOC(Cn1cccc1C(=O)C(Cl)(Cl)Cl)OCC ZINC000034623411 EG Annotated Anodyne Cc1nc(C(=O)Nc2ccc(O)c(C)n2)c(Nc2cccnc2)s1 ZINC000034634566 EG Annotated Anodyne COC(=O)c1ccc(N2C[C@H]3C[C@@]34C2=CC(=O)c2ccccc24)cc1 ZINC000034646311 EG Annotated Mild CC[C@@H]1CO[C@@H](O)[C@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2N1C ZINC000034649429 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)CC2=CCC[C@H](C)[C@]21C ZINC000034649577 EG Annotated Anodyne in-vitro biogenic Cc1coc2c1C(=O)C1=C(C2=O)[C@@]23CCCC(C)(C)[C@@H]2C[C@@H]1OC3=O ZINC000034659074 EG Annotated Mild N#Cc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl ZINC000034659231 EG Annotated Mild C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C=O)CCCC(C)(C)[C@@H]1CC2 ZINC000034729490 EG Annotated Mild CC(=O)N[C@@]1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21 ZINC000034741339 EG Annotated Anodyne CC(=O)N[C@]1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21 ZINC000034741340 EG Annotated Anodyne C/C(=N/NC(=O)CCC(=O)Nc1ccccc1Cl)c1ccco1 ZINC000034780390 EG Annotated Reactive O=C1ON=C(c2ccc(O)cc2)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000034799881 EG Annotated Mild CCOC(=O)[C@H]1C[C@]12C(=S)Nc1ccc(Br)cc12 ZINC000034817241 EG Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1 ZINC000034820393 EG Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccs3)c(C3CCCCC3)c(=O)n2n1 ZINC000034820397 EG Annotated Anodyne C=CCNC(=O)[C@]12C[C@@]1(CCCC)c1cc(Cl)ccc1NC2=O ZINC000034821545 EG Annotated Mild C=CCNC(=O)[C@@]12C[C@]1(CCCC)c1cc(Cl)ccc1NC2=O ZINC000034821547 EG Annotated Mild COc1cc(OC2=CS(=O)c3ccccc32)cc(OC)c1OC ZINC000034822100 EG Annotated Anodyne CNc1nc(N)nc2nc(-c3c(OC)cccc3C(F)(F)F)ccc12 ZINC000034843517 EG Annotated Anodyne CNc1nc(N)nc2nc(-c3ccccc3Br)ccc12 ZINC000034844660 EG Annotated Anodyne CNc1nc(N)nc2nc(-c3c(F)cccc3C(F)(F)F)ccc12 ZINC000034845167 EG Annotated Anodyne CC(C)CCC[C@](C)(O[P@@](=O)(O)OP(=O)(O)O)[C@@H](C)F ZINC000034855091 EG Annotated Anodyne CC(C)CCC[C@](C)(O[P@@](=O)(O)OP(=O)(O)O)[C@H](C)F ZINC000034855092 EG Annotated Anodyne COc1ccc(CCn2ncc(C(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000034867553 EG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1c1cnoc1C2 ZINC000034891764 EG Annotated Anodyne COc1cc(C(N)=O)ccc1-n1c2c(c3ccccc31)C(=O)CCC2 ZINC000034985042 EG Annotated Anodyne CCn1c(=O)n([C@H](CCNC)c2cccc(F)c2)c2c(F)cccc21 ZINC000034986676 EG Annotated Anodyne O=S(=O)(Cc1ccccc1Oc1ccccc1)c1cccc[n+]1[O-] ZINC000003586989 EG Annotated Anodyne Cc1ccc(NC2=CC(=O)c3nc(-c4ccccn4)[nH]c3C2=O)cc1 ZINC000003588214 EG Annotated Mild Cc1c(C(=O)NNc2ccccc2)n2c(S)nnc2c2ccccc12 ZINC000003588680 EG Annotated Reactive CCc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000003590229 EG Annotated Anodyne CCn1nnc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)n1 ZINC000003590235 EG Annotated Anodyne Cc1cc(CCCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000003590247 EG Annotated Anodyne CC(C)NCCC[C@@H](C)Nc1ccnc2ccc3nn(C)nc3c12 ZINC000003593725 EG Annotated Anodyne Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccccc1 ZINC000003595295 EG Annotated Mild O=C1c2cc3ccoc3cc2O[C@H]2COc3cc4c(cc3[C@@H]12)OCO4 ZINC000003596887 EG Annotated Anodyne in-man COc1cc2c(cc1OC)O[C@@H](c1c(OC)ccc(OC)c1O)CC2 ZINC000003597224 EG Annotated Anodyne Cc1ccc(N2CCC(CCOc3ccc(/C=N/O)cc3)CC2)nn1 ZINC000003618028 EG Annotated Mild O=C1CN(Cc2ccc3ccccc3c2)S(=O)(=O)c2ccccc21 ZINC000003630079 EG Annotated Anodyne COc1ccc(C[C@@H]2COc3cc(OC)cc(OC)c3C2=O)cc1 ZINC000003637251 EG Annotated Anodyne O=C(N/C=N/c1cccnc1)c1cccc(COCC(F)(F)F)c1 ZINC000003638883 EG Annotated Mild CCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C ZINC000003646561 EG Annotated Anodyne CN(C)c1ccc(-c2nc(NCc3ccccc3)nc(O)c2C#N)cc1 ZINC000003649576 EG Annotated Mild COc1ccc(-c2[nH]c(NC3CCCCCC3)nc(=O)c2C#N)cc1 ZINC000003649599 EG Annotated Mild Cc1ccc(-c2[nH]c(N3CCc4ccccc4C3)nc(=O)c2C#N)cc1 ZINC000003649633 EG Annotated Mild C[C@@H]1C[C@H](C[C@@H]2CCC(=O)N2Cc2ccccc2)C[C@H](CC(N)=O)C1 ZINC000003779115 EG Annotated Anodyne Cn1cc(-c2noc([C@@H]3CN4CCC3CC4)n2)c2cc(F)ccc21 ZINC000003780324 EG Annotated Anodyne CC1(C)Oc2cc(C(F)(F)F)ccc2[C@@H](N2CCCCC2=O)[C@@H]1O ZINC000003785295 EG Annotated Anodyne N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)sc1=O ZINC000003801012 EG Annotated Mild Cc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O ZINC000003805658 EG Annotated Bother Nc1nc(N)c2c(n1)CC[C@H](CNc1cc(Cl)ccc1Cl)C2 ZINC000003814877 EG Annotated Anodyne CNc1cc2ncn(C)/c(=N\c3cccc(Br)c3)c2cn1 ZINC000003815125 EG Annotated Anodyne O=C(C[C@@H]1CN2CCC1CC2)Nc1ccc2cccc([N+](=O)[O-])c2c1 ZINC000003818275 EG Annotated Bother Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O ZINC000003820376 EG Annotated Mild CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1ccc(Cl)cc1Cl ZINC000003822740 EG Annotated Anodyne CC[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccccc1 ZINC000003823964 EG Annotated Mild Cc1ccc([C@@H](C)/N=c2\c(O)c(O)\c2=N/c2ccc(C#N)cc2)cc1 ZINC000003823966 EG Annotated Mild NC(=O)N(O)[C@@H]1C=C[C@H](Oc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC000003825995 EG Annotated Anodyne O=C(c1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 ZINC000003834107 EG Annotated Clean COc1cc2c(c(N)c1OC)C(=O)/C(=C\c1cc(C)c(O)c(C)c1)C2 ZINC000003872902 EG Annotated Mild Clc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1 ZINC000003911159 EG Annotated Anodyne Cc1ccc2cc(CCNC(=O)c3c(F)cccc3F)c(=O)[nH]c2c1 ZINC000003911705 EG Annotated Anodyne C[C@@H](NC(=O)N1C(=O)C[C@H]1SCc1ccccn1)c1ccccc1 ZINC000003922164 EG Annotated Anodyne O=C1CO[C@@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1 ZINC000003922461 EG Annotated Mild C/C1=C\C=C(\[C@@](C)(O)CO)C[C@@H](O)/C(C)=C/CC[C@]2(C)O[C@H]2CC1 ZINC000003926301 EG Annotated Anodyne O=C1Nc2c(C(F)(F)F)cccc2[C@@]1(O)c1cc(Cl)ccc1O ZINC000003928902 EG Annotated Anodyne C[C@H]1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C ZINC000003940658 EG Annotated Anodyne Cc1ccc([C@H]2CC[C@]3(C)[C@@H](/C=N/OCCN)CC[C@]3(O)C2)cc1 ZINC000003946455 EG Annotated Mild O=C1[C@H]2[C@H]3CC[C@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 ZINC000003948655 EG Annotated Bother CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1 ZINC000003955248 EG Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1 ZINC000003955249 EG Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1 ZINC000003955250 EG Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ccccc1)C2 ZINC000003955777 EG Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 ZINC000003955884 EG Annotated Anodyne O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1 ZINC000003955940 EG Annotated Anodyne O=C(c1csnn1)N1CCC2(CCCN(c3ccccc3)C2)CC1 ZINC000003956155 EG Annotated Anodyne N#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cc1 ZINC000003956177 EG Annotated Mild aggregator COC(=O)N1CCC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000003956210 EG Annotated Mild C=CCN1c2cc(F)ccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F ZINC000003963046 EG Annotated Mild COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](O)C2=O ZINC000003965591 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1cc([C@H]2CCCNC2)c2ccccc21 ZINC000003976223 EG Annotated Anodyne in-vivo CC1=C2[C@H](O)C(=O)O[C@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C ZINC000003978313 EG Annotated Mild in-vitro CC1=C2[C@@H](O)C(=O)O[C@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C ZINC000003978314 EG Annotated Mild in-vitro CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C ZINC000003978315 EG Annotated Mild in-vitro CC1=C2[C@@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C ZINC000003978316 EG Annotated Mild in-vitro CC1=C(Cl)C(O)=CC(=O)[C@@]12Oc1cc(O)c(Cl)c(C)c1C2=O ZINC000003979047 EG Annotated Mild in-vitro CC1=C(Cl)C(O)=CC(=O)[C@]12Oc1cc(O)c(Cl)c(C)c1C2=O ZINC000003979048 EG Annotated Mild in-vitro O=C1NCc2ccccc2OCC/C=C/c2cncc3ccc1nc23 ZINC000003979637 EG Annotated Anodyne CC1=CC2=NC[C@@H](C(=O)c3ccc(Br)cc3)CN2C=C1 ZINC000003987286 EG Annotated Anodyne COc1cc(OC)nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)n1 ZINC000035010624 EG Annotated Mild Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(Cl)cc2F)n1 ZINC000035016111 EG Annotated Anodyne C=C(C)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@@](O)(CO)C3 ZINC000035029417 EG Annotated Mild CC1=C[C@H]2[C@H](O)CC[C@@H](C)[C@@H]2[C@@H](/C=C/C=C/C(=O)O)[C@H]1/C(C)=C/CO ZINC000035034288 EG Annotated Anodyne COC(=O)c1ccc(NC(=O)/N=c2\cc(C)[nH]c3ccccc23)cc1 ZINC000035049760 EG Annotated Anodyne Cc1c/c(=N\C(=O)Nc2ccc(C(=O)O)c(O)c2)c2ccccc2[nH]1 ZINC000035049763 EG Annotated Anodyne C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075231 EG Annotated Anodyne C[C@]12CC[C@@]34COC(=O)C3=C[C@H](O)C[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2 ZINC000035086326 EG Annotated Anodyne O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccccc1O ZINC000035242418 EG Annotated Clean C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)CC(=O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000035276613 EG Annotated Mild COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(N)n2)cc1OC ZINC000035342888 EG Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=C[C@H](O)OC1=O ZINC000035464895 EG Annotated Mild in-vitro biogenic COc1ccc([C@@H](O)[C@H](C)O[C@H](c2ccc(OC)cc2)[C@H](C)O)cc1 ZINC000035465331 EG Annotated Anodyne in-man COc1ccc([C@H](O[C@@H](C)[C@H](O)c2ccc(OC)cc2)[C@H](C)O)cc1 ZINC000035465334 EG Annotated Anodyne in-man COc1ccc([C@H](O[C@@H](C)[C@H](O)c2ccc(OC)cc2)[C@@H](C)O)cc1 ZINC000035465337 EG Annotated Anodyne in-man Cc1cc(N(C)Cc2ccccc2)n2nc(-c3cccnc3)nc2n1 ZINC000035476002 EG Annotated Anodyne CCc1c(C)nc2nc(NCc3ccc(C(C)C)cc3)nn2c1O ZINC000035562357 EG Annotated Anodyne CC(C)c1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1 ZINC000035562360 EG Annotated Anodyne NS(=O)(=O)c1cc(-c2nc3ccc(Cl)cc3s2)cs1 ZINC000035789055 EG Annotated Anodyne CCCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1 ZINC000035812559 EG Annotated Anodyne CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1C#Cc1ccc2occc2c1 ZINC000035839993 EG Annotated Mild CN(C)c1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1 ZINC000035845964 EG Annotated Mild CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)C2=O ZINC000035845983 EG Annotated Clean CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(C)C[C@@H]3[C@H](C[C@@H]1C2)C3(C)C ZINC000035876261 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4C(=O)[C@@H]3C[C@@H](O)[C@@H]12 ZINC000035900084 EG Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@@H](SCc2cccc(C(F)(F)F)c2)C1=O ZINC000035942027 EG Annotated Anodyne COc1ccc(N2CC[C@H](N)[C@H](c3cccc(C)c3)C2)cc1OC ZINC000035942375 EG Annotated Clean in-vivo C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 ZINC000035965434 EG Annotated Mild C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000035978883 EG Annotated Anodyne C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccccc1O ZINC000035995522 EG Annotated Mild CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C)(C)c2cccc(F)c21 ZINC000035996051 EG Annotated Anodyne Cc1cc(N2CCC(C)CC2)nc2ccc(N3C(=O)CCC3=O)cc12 ZINC000036064707 EG Annotated Anodyne CCCCCCCCCCCCc1cc([C@@H](O)[C@@H](N)CO)on1 ZINC000036079870 EG Annotated Mild Cc1oc2ccc(N3C[C@]4(CN5CCC4CC5)OC3=O)cc2c1C ZINC000036079931 EG Annotated Anodyne O=C1[C@H]2CCCN2[C@@H](c2c(F)cccc2Cl)N1c1nccs1 ZINC000036082184 EG Annotated Anodyne O=C1[C@H]2CCCN2[C@H](c2c(F)cccc2Cl)N1c1nccs1 ZINC000036082186 EG Annotated Anodyne COCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 ZINC000036093148 EG Annotated Anodyne CCOCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 ZINC000036093149 EG Annotated Anodyne CC(C)(O)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1 ZINC000036093166 EG Annotated Anodyne CC(C)(C)c1cc(-c2nnc(N=C(N)N)s2)cc(C(C)(C)C)c1O ZINC000036126891 EG Annotated Mild CNC(=O)Oc1cc(C)c(/C=C/c2cncc(C(=O)O)c2)c(C)c1 ZINC000036187611 EG Annotated Anodyne CC1=NN(C)[C@H]2[C@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12 ZINC000036187621 EG Annotated Mild CC1=NN(C)[C@H]2[C@@H]1N/C(=N/c1c(C)cccc1Cl)c1cnc(C)n12 ZINC000036187622 EG Annotated Mild CCO/N=C(\CCN1CCN(c2nccs2)CC1)c1ccccc1 ZINC000036216730 EG Annotated Mild C[C@H]1C(=O)N(C2CCCCCC2)C[C@@H]1COc1ccc(C#N)cn1 ZINC000036286287 EG Annotated Mild CCCCCCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)O[C@@H]1C ZINC000036289045 EG Annotated Reactive CCCCCCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)O[C@H]1C ZINC000036289046 EG Annotated Reactive C=C[C@@]1(C)C[C@@]2(OC[C@@]3(C)O[C@H]32)Oc2c1c(=O)oc1cccc(C)c21 ZINC000036374429 EG Annotated Mild C=C(C)[C@H]1C[C@]2(C)[C@@H](C)C[C@H](O)C[C@H]2[C@H](OC(=O)C=C(C)C)[C@@H]1O ZINC000036374469 EG Annotated Mild C=C(C)[C@H](O)Cc1cc(CCc2cc(O)cc(O)c2)cc(O)c1OC ZINC000036374836 EG Annotated Mild C=C(C)[C@@H](O)Cc1cc(CCc2cc(O)cc(O)c2)cc(O)c1OC ZINC000036374839 EG Annotated Mild CC(C)(O)CCc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21 ZINC000036375442 EG Annotated Anodyne Cc1nc2cc(Br)ccc2c(=O)n1Cc1cccc(O)c1 ZINC000036376361 EG Annotated Anodyne C/C=C(/CO)C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000036378616 EG Annotated Anodyne C=C[C@H]1C(=C)CC[C@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C ZINC000036378672 EG Annotated Mild C=C[C@H]1C(=C)CC[C@@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C ZINC000036378673 EG Annotated Mild Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@@H]1C2=O ZINC000036378998 EG Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@H]1C2=O ZINC000036379000 EG Annotated Anodyne Cn1c2cc(C#N)sc2c2cnn(Cc3ccccc3F)c(=O)c21 ZINC000036379096 EG Annotated Mild O=S(=O)(c1ccc2c(c1)[C@H](O)c1ccccc1CC2)C(F)(F)F ZINC000036379297 EG Annotated Anodyne O=S(=O)(c1ccc2c(c1)[C@@H](O)c1ccccc1CC2)C(F)(F)F ZINC000036379298 EG Annotated Anodyne Cc1ccccc1-c1csc2ncnc(Sc3nnnn3C)c12 ZINC000036380171 EG Annotated Anodyne Cc1cccc(-c2csc3ncnc(Sc4nnnn4C)c23)c1 ZINC000036380172 EG Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3ccccc3F)c12 ZINC000036380175 EG Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3cccc(F)c3)c12 ZINC000036380176 EG Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3cccs3)c12 ZINC000036380199 EG Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3ccsc3)c12 ZINC000036380200 EG Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccccc2C)C1 ZINC000036380463 EG Annotated Anodyne C[C@H]1CN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000036380485 EG Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(C)cc2)C1 ZINC000036380598 EG Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(C)c2)C1 ZINC000036380657 EG Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCCc2ccccc2)C1 ZINC000036380758 EG Annotated Anodyne Cn1ccc2cc(-c3csc(N4CCC(C(N)=O)CC4)n3)ccc21 ZINC000036380807 EG Annotated Anodyne COc1ccc(C#Cc2cnc(Cl)c3cncnc23)cc1OC ZINC000036380987 EG Annotated Mild OCCN(CCO)c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000036381139 EG Annotated Clean Cc1c(C(O)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C ZINC000036381353 EG Annotated Anodyne C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)O ZINC000036381741 EG Annotated Mild C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)/C=C/CC(=O)OC ZINC000036381749 EG Annotated Mild C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@@H]2C ZINC000036381754 EG Annotated Mild COC(=O)C1=C2CCCO[C@H]2[C@H]2[C@@H]1c1ccccc1[C@@H](OC)[C@@H]2C ZINC000036381783 EG Annotated Anodyne COC[C@@H](O)[C@H]1OCc2cc(OC)ccc2[C@@H]1/C=C/c1ccccc1 ZINC000036381849 EG Annotated Anodyne COC[C@@H](O)[C@H]1OCc2cccc(OC)c2[C@@H]1/C=C/c1ccccc1 ZINC000036381850 EG Annotated Anodyne C#CCN1C(=O)[C@]2(OCCC=C[C@H]2C)c2c(Br)cccc21 ZINC000036381889 EG Annotated Mild C#CCN1C(=O)[C@@]2(CC(C)=C[C@@H](C)O2)c2c(Br)cccc21 ZINC000036381976 EG Annotated Mild CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(CCc2ccccc2)CCC1=O ZINC000036382885 EG Annotated Clean CCCCNC(=O)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21 ZINC000036382906 EG Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000036382939 EG Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1ccccc1F ZINC000036382952 EG Annotated Anodyne CCCCN1CC[C@H]2C=CC[C@@H](C(=O)NC3CCCCC3)[C@H]2C1=O ZINC000036382963 EG Annotated Anodyne Cc1ccccc1CN1[C@H](C)[C@H](c2ccccc2)OCCS1(=O)=O ZINC000036383002 EG Annotated Anodyne CC[C@H]1C(=O)[C@@H](Cc2ccccc2)[C@@H]2CCN3C(=O)CCC[C@H]1[C@H]23 ZINC000036383019 EG Annotated Anodyne O=C1CCC[C@@H]2Cc3nc4cc5c(cc4cc3[C@@H]3CCN1[C@@H]32)OCO5 ZINC000036383070 EG Annotated Anodyne Cc1ccc(CN2[C@H](C)[C@H](c3ccccc3)OCCS2(=O)=O)cc1 ZINC000036383079 EG Annotated Anodyne O=C(Nc1ccccc1)O[C@H]1C[C@@H]2CCN3C(=O)CCC[C@H](C1)[C@H]23 ZINC000036383155 EG Annotated Anodyne CC[C@@H]1C(=O)[C@H](Cc2ccccc2)[C@H]2CCCC(=O)N3CC[C@@H]1[C@@H]23 ZINC000036383181 EG Annotated Anodyne Nc1c(Cl)cc(C2=NCCn3c2c2ccccc2[n+]3[O-])cc1Cl ZINC000036383457 EG Annotated Anodyne Cc1ccc(C2=NCCn3c2c2ccc(C(F)(F)F)cc2[n+]3[O-])cc1 ZINC000036383485 EG Annotated Anodyne CCOC(=O)c1cc(-c2ccccc2)nn1Cc1cc(CC)no1 ZINC000036384176 EG Annotated Anodyne CC(C)N1CCN(Cc2nc(-c3ccccc3)cs2)C[C@H]1CCO ZINC000036385576 EG Annotated Anodyne CN1CCN(Cc2nc(Cc3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000036385581 EG Annotated Anodyne CC(C)CCN1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000036385736 EG Annotated Anodyne C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000036386591 EG Annotated Anodyne C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000036386592 EG Annotated Anodyne CN(C)C1=NC[C@H](Cc2ccccc2)N1CCc1cccc(F)c1 ZINC000036386728 EG Annotated Anodyne COc1ccc(-c2cn(CCO)c(-c3ccc(Cl)nc3)n2)cc1 ZINC000036387396 EG Annotated Anodyne COc1ccc2cc(/C=N/S(=O)(=O)c3ccc(C)cc3)n(C)c2c1 ZINC000036387641 EG Annotated Mild CCOC(=O)c1ccc(N2C(=O)[C@H]3CCOc4ccccc4[C@H]32)cc1 ZINC000036387663 EG Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)[C@H]3CCOc4ccccc4[C@@H]32)cc1 ZINC000036387664 EG Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)[C@@H]3CCOc4ccccc4[C@H]32)cc1 ZINC000036387665 EG Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)[C@@H]3CCOc4ccccc4[C@@H]32)cc1 ZINC000036387666 EG Annotated Anodyne C=C(C)C[C@]1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C ZINC000036387726 EG Annotated Mild C=C(C)C[C@@]1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C ZINC000036387727 EG Annotated Mild CC1CCN(C(=O)c2[nH]cnc2C(=O)O[C@H](C)c2ccccc2)CC1 ZINC000036387802 EG Annotated Anodyne CCOC(=O)c1cc(-c2ccccc2C)n(Cc2cc(C)no2)n1 ZINC000036387822 EG Annotated Anodyne CCOC(=O)c1cc(-c2ccccc2C)nn1Cc1cc(C)no1 ZINC000036387824 EG Annotated Anodyne CN(C)c1ccc(C#Cc2ccc3cc(CCCO)oc(=O)c3c2)cc1 ZINC000036388906 EG Annotated Mild Cn1cncc1C#Cc1ccc2cc(C3(O)CCCCC3)oc(=O)c2c1 ZINC000036388913 EG Annotated Mild N#Cc1ccc(C(=O)OCCCc2cc3ccccc3c(=O)o2)cc1 ZINC000036388922 EG Annotated Mild CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)CCCCCCc2ccccc21 ZINC000036389193 EG Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCc2ccccc21 ZINC000036389194 EG Annotated Anodyne COc1cc2c3c(nccc3c1)[C@@](C)(O)c1c-2ccc(OC)c1OC ZINC000036416417 EG Annotated Anodyne in-vitro COc1cc2c3c(nccc3c1)[C@](C)(O)c1c-2ccc(OC)c1OC ZINC000036416418 EG Annotated Anodyne in-vitro C[C@@]12C[C@H](O)[C@@H]3[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(CC1=O)C2 ZINC000036422946 EG Annotated Anodyne CC(=O)O[C@@H]1/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(C)=O)[C@@H]1C(C)C ZINC000036423000 EG Annotated Reactive C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C=O)[C@@H]2Cc1c3n(C)c2c(OC)cccc12 ZINC000036423003 EG Annotated Mild C[C@@H](CO)N(C)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000036423998 EG Annotated Bother C[N+](C)(C)Cc1cc(-c2ccc(O)c(C[N+](C)(C)C)c2)ccc1O ZINC000036466000 EG Annotated Clean CN1C(=O)CN(CCCCCCCl)c2ccc([N+](=O)[O-])cc21 ZINC000036470692 EG Annotated Reactive COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(F)cc1Cl ZINC000036473693 EG Annotated Anodyne COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(F)cc1Cl ZINC000036473694 EG Annotated Anodyne O=C1C=CC(=C2N=CC=C(c3ccc(Br)cc3)N2)C=C1 ZINC000037868990 EG Annotated Mild O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccc(Cl)cc2)C=C1 ZINC000377466634 EG Annotated Anodyne O=C1N=c2ccccc2=C1C=C1C=CN(Cc2cccc(Cl)c2)C=C1 ZINC000377466641 EG Annotated Anodyne O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccccc2Cl)C=C1 ZINC000377466653 EG Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c(N)c(-c1nc3ccccc3s1)n2O ZINC000377553950 EG Annotated Anodyne COC(=O)c1c(C(C)(C)C)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000377722263 EG Annotated Anodyne CCCCCCNC(=O)N/N=C/c1ccc2c(c1)[N+](=O)C(C)(C)N2O ZINC000377795131 EG Annotated Reactive CN(C)c1ccc2nc3c4ccccc4c(=NCCCO)cc-3oc2c1 ZINC000377803821 EG Annotated Bother N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[n+](=O)c2ccccc2n1O ZINC000377812077 EG Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)cc2)n(O)c2ccccc2[n+]1=O ZINC000377812965 EG Annotated Anodyne O=[n+]1[nH]c2c(Br)cnn2c2cc(-c3ccccc3)ccc21 ZINC000377815842 EG Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000377815876 EG Annotated Mild CCOC(=O)c1c(-c2ccccc2)n(O)c2ccc(Cl)cc2[n+]1=O ZINC000377818580 EG Annotated Anodyne Cc1ccc([S@+](N)(=O)NC(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000377820009 EG Annotated Mild Cc1ccc([S@@+](N)(=O)NC(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000377820010 EG Annotated Mild O=C(c1cccs1)c1c(C(F)(F)F)[n+](=O)c2ccccc2n1O ZINC000377825234 EG Annotated Anodyne O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(C(F)(F)F)ccc21 ZINC000377827773 EG Annotated Anodyne O=[n+]1[nH]c2c(-c3cccs3)cnn2c2cc(C(F)(F)F)ccc21 ZINC000377827776 EG Annotated Anodyne Cc1ccc2c(c1)[n+](=O)c(C(F)F)c(C(=O)c1ccccc1)n2O ZINC000377836336 EG Annotated Anodyne O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3ccc[nH]3)ccc21 ZINC000377836348 EG Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)[n+](=O)c2cc(Cl)ccc2n1O ZINC000377836367 EG Annotated Anodyne O=C(c1ccccc1)c1c(C(F)(F)F)[n+](=O)c2ccccc2n1O ZINC000377836368 EG Annotated Anodyne Cc1ccc2c(c1)[n+](=O)c(C(F)(F)F)c(C(=O)c1ccccc1)n2O ZINC000377836370 EG Annotated Anodyne O=[n+]1[nH]c2c(-c3ccc[nH]3)cnn2c2cc(-c3ccsc3)ccc21 ZINC000377836381 EG Annotated Anodyne O=C(c1ccccc1)c1c(C(F)F)[n+](=O)c2cc(F)ccc2n1O ZINC000377839269 EG Annotated Anodyne CCOc1ccc2c(c1)n(O)c(-c1ccc(Cl)cc1)c(N)[n+]2=O ZINC000377840128 EG Annotated Anodyne CC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000377840460 EG Annotated Anodyne Cc1ccc(Nc2c(C#N)n(O)c3cc(Cl)ccc3[n+]2=O)cc1 ZINC000377841347 EG Annotated Mild N#Cc1c(Nc2ccc(F)cc2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000377841457 EG Annotated Mild Cc1cnn2c1[nH][n+](=O)c1ccc(OC[C@H](C)c3ccccc3)cc12 ZINC000377845194 EG Annotated Anodyne Cc1cnn2c1[nH][n+](=O)c1ccc(OC[C@@H](C)c3ccccc3)cc12 ZINC000377845197 EG Annotated Anodyne O=[n+]1[nH]n(Cc2ccccc2)c(C(=S)Nc2ccccc2)c1Cl ZINC000377845645 EG Annotated Anodyne Cc1cccc(NN=C(C(N)=O)C2=NC(C)(C)Cc3ccccc32)c1 ZINC000377848902 EG Annotated Mild O=c1c2c([nH]c3c(/N=N/c4ccccc4Cl)c(O)nn13)CCC2 ZINC000377853405 EG Annotated Clean Cc1nc2ccccn2c1P(=O)(c1ccccc1)c1ccccc1 ZINC000038142189 EG Annotated Reactive COC(=O)[C@@]1(C)[C@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000038142239 EG Annotated Anodyne C#CCN1C(=O)[C@]2(CC(C)=C[C@@H](C)O2)c2c(Br)cccc21 ZINC000038142361 EG Annotated Mild COc1cc(/C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O ZINC000038142782 EG Annotated Reactive N#C/C(=C\c1ccc([N+](=O)[O-])s1)c1n[nH]c(Cc2ccccc2)n1 ZINC000038144716 EG Annotated Reactive CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1ccccn1)CCC2 ZINC000038149926 EG Annotated Mild COc1ccc2c(c1)CN(C(=O)N(C)C)C[C@H]2c1cccc(O)c1 ZINC000038156062 EG Annotated Anodyne COc1ccc2c(c1)CN(C(=O)N(C)C)C[C@@H]2c1cccc(O)c1 ZINC000038156064 EG Annotated Anodyne CO[C@]1(c2ccc(S(C)(=O)=O)cc2)C=CC2(CCCCC2)OO1 ZINC000038158545 EG Annotated Reactive CO[C@@]1(c2ccc(S(C)(=O)=O)cc2)C=CC2(CCCCC2)OO1 ZINC000038158546 EG Annotated Reactive CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(CO)cc1 ZINC000038158738 EG Annotated Reactive COc1ccc(/C=N\Nc2snc(SC)c2C#N)cc1OC ZINC000038199691 EG Annotated Mild Cc1ccc(NC(=O)/C=N\OCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000038204133 EG Annotated Mild CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2occc2c1 ZINC000038208268 EG Annotated Mild CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1C#Cc1ccc2occc2c1 ZINC000038208270 EG Annotated Mild CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2occc2c1 ZINC000038208272 EG Annotated Mild CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000038208466 EG Annotated Clean CC(C)N(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1 ZINC000038214166 EG Annotated Anodyne Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2)s1 ZINC000038214210 EG Annotated Anodyne CCn1ncc2c(-c3cncc(Br)c3)c(C#N)c(C)nc21 ZINC000038214439 EG Annotated Mild Fc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21 ZINC000038223494 EG Annotated Anodyne CC1(C)Oc2cc3c(cc2C[C@H]1O)[C@@H]1Oc2cc(O)ccc2[C@@H]1CO3 ZINC000038223844 EG Annotated Anodyne C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21 ZINC000038230437 EG Annotated Mild O=C1CN(CCc2ccccc2CCl)c2ccc([N+](=O)[O-])cc2N1 ZINC000038230488 EG Annotated Reactive NC(=O)C[S@](=O)Cc1ccccc1Oc1ccc2ccccc2c1 ZINC000038237921 EG Annotated Anodyne NC(=O)C[S@@](=O)Cc1ccccc1Oc1ccc2ccccc2c1 ZINC000038237922 EG Annotated Anodyne O=[N+]([O-])c1cccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)c1 ZINC000038238012 EG Annotated Mild Cc1nc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2s1 ZINC000038238425 EG Annotated Anodyne NS(=O)(=O)c1cc(-c2nc3ccc(F)c(Cl)c3s2)cs1 ZINC000038248731 EG Annotated Anodyne CC[C@H]1C[C@@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]4(O)CCN(C2)[C@@H]13 ZINC000038260043 EG Annotated Anodyne CCC1=C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24 ZINC000038260298 EG Annotated Anodyne O=[N+]([O-])c1ccccc1/C=N/NC(=S)Nc1ncc(C2CCC2)o1 ZINC000038266917 EG Annotated Mild CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccsc2)c1 ZINC000038278387 EG Annotated Anodyne C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000038278489 EG Annotated Anodyne in-vitro biogenic CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccco1)NC(=O)CCl ZINC000038278723 EG Annotated Reactive CCc1cccc(C)c1NC(=O)[C@H](Cc1ccco1)NC(=O)CCl ZINC000038278724 EG Annotated Reactive CC(=O)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 ZINC000038321755 EG Annotated Anodyne CC#Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2 ZINC000038329812 EG Annotated Mild in-vitro biogenic COc1ccc2nc(Nc3nc(=O)c4ccc(C)cc4[nH]3)nc(C)c2c1 ZINC000038330427 EG Annotated Anodyne CCOCc1cc(Br)c(O)c(O)c1Br ZINC000038356134 EG Annotated Clean C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@]1(C)O[C@@H]13 ZINC000038356514 EG Annotated Anodyne CN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 ZINC000038357080 EG Annotated Anodyne CN1CCN(C[C@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 ZINC000038357082 EG Annotated Anodyne COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C(C)=O ZINC000038421792 EG Annotated Anodyne in-vitro biogenic N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2ccnc2)c1 ZINC000038462825 EG Annotated Mild COc1cc2c(cc1OC)C(c1ccc3ccccc3c1)=NNC(=O)C2 ZINC000038462888 EG Annotated Anodyne CCN(CC)CC(=O)N[C@@H]1CC(C)(C)Oc2c(C)c(C)c(O)c(C)c21 ZINC000038463063 EG Annotated Anodyne CCN(CC)CC(=O)N[C@H]1CC(C)(C)Oc2c(C)c(C)c(O)c(C)c21 ZINC000038463064 EG Annotated Anodyne NCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000038476977 EG Annotated Anodyne NCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000038476978 EG Annotated Anodyne C=C1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/CCOC1=O ZINC000038493157 EG Annotated Mild in-vitro biogenic C=C[C@@]1(C)C[C@@](O)([C@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21 ZINC000038493742 EG Annotated Mild Brc1cncc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000380752797 EG Annotated Anodyne C=C(CO)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)CC[C@]1(C)CC(=O)O2 ZINC000038692928 EG Annotated Mild CC(=O)[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CCOC1=O ZINC000038693467 EG Annotated Anodyne CC(=O)C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@@H]12)N3C ZINC000038693904 EG Annotated Mild CO[C@@H]1O[C@@H](OC)[C@H]2C1=CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000038821899 EG Annotated Anodyne CC/C(=N\NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000038822188 EG Annotated Mild C[C@H]1[C@H]2O[C@H](c3ccoc3)C[C@]1(C)[C@H]1CC[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C ZINC000038822496 EG Annotated Anodyne C[C@@H]1[C@H]2O[C@H](c3ccoc3)C[C@]1(C)[C@H]1CC[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C ZINC000038822498 EG Annotated Anodyne Cc1nc(N2CCCC2)c([N+](=O)[O-])n1CC(=O)c1ccc(Cl)cc1 ZINC000038846333 EG Annotated Bother C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12 ZINC000038846705 EG Annotated Mild CO[C@H]1O[C@@H](OC)[C@H]2C1=CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000038883802 EG Annotated Anodyne CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C ZINC000038883952 EG Annotated Anodyne C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C ZINC000038928459 EG Annotated Mild CC[C@@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000038961537 EG Annotated Bother CC[C@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000038961538 EG Annotated Bother COc1cc(OC(C)=O)cc2cc(C)c(C(C)=O)c(OC(C)=O)c12 ZINC000038985090 EG Annotated Anodyne C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@@H]([C@H]1C/C(=C\C)C(=O)O1)[C@@]2(C)O ZINC000038985255 EG Annotated Mild C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)C(=O)O[C@@H]3O ZINC000038985421 EG Annotated Anodyne COc1ccc(Cc2nc3cncc(Br)c3[nH]2)cc1OC ZINC000385609229 EG Annotated Anodyne C[C@H]1CC[C@@]23CO[C@@H](C=C2CO)C[C@H]3[C@]1(C)CCC1=CC(=O)OC1 ZINC000039005934 EG Annotated Anodyne C=C(C)[C@@H]1C[C@@H](OC(=O)C=C(C)C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C ZINC000039049722 EG Annotated Mild COC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)CC(=O)C(C(C)C)=C1C[C@H](O)[C@@H]2C ZINC000039052063 EG Annotated Mild C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)[C@H](O)OC3=O ZINC000039137905 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C ZINC000039158517 EG Annotated Mild C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)C(=O)O[C@@H]3O ZINC000039177906 EG Annotated Anodyne CN1CCC(=C2c3ccccc3C(CO)=C(CO)c3ccccc32)CC1 ZINC000039215293 EG Annotated Anodyne COc1ccc(OC)c(Sc2ncccc2C(=O)NCC2CC2)c1 ZINC000039263193 EG Annotated Anodyne Cc1ccc(Oc2ncccc2C(=O)N(C)CCCN(C)C)cc1 ZINC000039264166 EG Annotated Anodyne Cc1ccccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-] ZINC000039298649 EG Annotated Anodyne in-vitro C[C@@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O ZINC000039350686 EG Annotated Clean C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/[C@H](O)C1)OC3=O ZINC000039350757 EG Annotated Mild C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/[C@@H](O)C1)OC3=O ZINC000039350759 EG Annotated Mild C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@](O)(C/C(C)=C/[C@@H](O)C1)OC3=O ZINC000039350763 EG Annotated Mild COCc1noc(-c2ccc(NCc3cnc4ccccc4c3)nc2)n1 ZINC000039358188 EG Annotated Anodyne Cc1cc(CNc2cc([C@@H]3CCCNC3)ncn2)c(C(F)(F)F)o1 ZINC000039358435 EG Annotated Anodyne Cc1cc(CNc2cc([C@H]3CCCNC3)ncn2)c(C(F)(F)F)o1 ZINC000039358436 EG Annotated Anodyne CC[C@@H]1C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24 ZINC000039372699 EG Annotated Anodyne CC[C@H]1C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24 ZINC000039372701 EG Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=C2[C@@H](CCC3)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000039386794 EG Annotated Anodyne O=c1n(-c2ccc(Br)cc2)c(=S)n2n1CCCCC2 ZINC000039417798 EG Annotated Anodyne Oc1ccccc1CNc1ncccc1I ZINC000390816939 EG Annotated Clean COc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC ZINC000392268824 EG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cncc(F)c3)[nH]c12 ZINC000394394539 EG Annotated Anodyne COc1ccc2c(c1)O[C@@H](OC)[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 ZINC000039560292 EG Annotated Anodyne CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](OC(C)(C)C)C1 ZINC000039927559 EG Annotated Anodyne CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@H](OC(C)(C)C)C1 ZINC000039927560 EG Annotated Anodyne CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@@H](OC(C)(C)C)C1 ZINC000039927561 EG Annotated Anodyne CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1 ZINC000004013629 EG Annotated Mild CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1 ZINC000004013633 EG Annotated Mild CSc1nc(Cl)c(C#N)c(Nc2ccc3c(c2)OCCO3)n1 ZINC000004030162 EG Annotated Mild CC1=C(C(=O)N2CCc3ccccc32)C2(CCC(C)CC2)OC1=O ZINC000004035510 EG Annotated Anodyne COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)cc1C ZINC000004035575 EG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C ZINC000004053639 EG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C ZINC000004053640 EG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1 ZINC000004053653 EG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1 ZINC000004053654 EG Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004055588 EG Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055589 EG Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004055590 EG Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055591 EG Annotated Mild Cc1cc(N2CCN(c3ccccc3F)CC2)[nH]c2cc(=O)ccc1-2 ZINC000004057415 EG Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2CC(=O)N(C)c1ccccc1 ZINC000004058062 EG Annotated Anodyne Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2CC(=O)N(C)c1ccccc1 ZINC000004058063 EG Annotated Anodyne CCOC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1 ZINC000004092757 EG Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004097024 EG Annotated Mild in-vitro C/C=C1\[C@@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000004097859 EG Annotated Anodyne in-vitro CCn1c(=O)cc(OCC(=O)N(C)C2CCCCC2)c2ccccc21 ZINC000004101170 EG Annotated Anodyne CCc1ccccc1N(C(=O)c1cccs1)[C@H]1C=CS(=O)(=O)C1 ZINC000004101185 EG Annotated Anodyne CCc1ccccc1N(C(=O)c1cccs1)[C@@H]1C=CS(=O)(=O)C1 ZINC000004101186 EG Annotated Anodyne CCOC(=O)NCCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C ZINC000004101933 EG Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O ZINC000004102236 EG Annotated Mild in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102244 EG Annotated Mild in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O ZINC000004102271 EG Annotated Mild in-vitro CNCC[C@]1(c2ccc(OC)c(OC)c2)CCc2ncccc2C1 ZINC000004102441 EG Annotated Anodyne in-vitro CC[C@@H]1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21 ZINC000004111434 EG Annotated Anodyne CC[C@H]1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21 ZINC000004111435 EG Annotated Anodyne CCn1cnc2sc(C(=O)Oc3cccc(C)c3)c(C)c2c1=O ZINC000004117989 EG Annotated Anodyne COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1OC ZINC000004118919 EG Annotated Anodyne COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1OC ZINC000004118920 EG Annotated Anodyne N#CC1=C2S[C@H]3CCCC[C@]3(O)N2C(=O)[C@@H](C#N)C12CCCCC2 ZINC000004125512 EG Annotated Reactive CN(C1=C(Cl)C(=O)O[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004133147 EG Annotated Anodyne CN(C1=C(Cl)C(=O)O[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004133150 EG Annotated Anodyne C=C(C)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=S)CCC2 ZINC000004144449 EG Annotated Mild CC1=Nc2nnnn2[C@H](c2ccccc2)/C1=C(\O)OC1CCCCC1 ZINC000004148445 EG Annotated Anodyne C=CCSc1nc2nc3c(cc2c(=O)n1CC=C)CC(C)(C)OC3 ZINC000004163345 EG Annotated Mild CCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c2c1 ZINC000004169860 EG Annotated Anodyne COc1ccccc1[C@@H]1NCc2ccc3c(c2-n2cccc21)OCO3 ZINC000004191257 EG Annotated Anodyne CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1csc(C)n1 ZINC000004198723 EG Annotated Anodyne N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](Cc1ccccc1)O3 ZINC000004198934 EG Annotated Mild N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](Cc1ccccc1)O3 ZINC000004198935 EG Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N(C)C ZINC000004204541 EG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N(C)C ZINC000004204542 EG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N(C)C ZINC000004205003 EG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N(C)C ZINC000004205004 EG Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004207537 EG Annotated Mild N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004207538 EG Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004207539 EG Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004207540 EG Annotated Mild CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213278 EG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213279 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213281 EG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004213282 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004213364 EG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004213370 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004213373 EG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004213374 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCCOC ZINC000004214595 EG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCOC ZINC000004214597 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCCOC ZINC000004214599 EG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCOC ZINC000004214602 EG Annotated Anodyne CCCCCCC1=NOC[C@@]1(C)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215861 EG Annotated Anodyne CCCCCCC1=NOC[C@]1(C)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215864 EG Annotated Anodyne CCCCCCC1=NOC[C@@]1(C)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000004215867 EG Annotated Anodyne CCCCCCC1=NOC[C@]1(C)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000004215868 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CCOCC1 ZINC000004216494 EG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N1CCOCC1 ZINC000004216495 EG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CCOCC1 ZINC000004216497 EG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N1CCOCC1 ZINC000004216499 EG Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)C)C2)CC1 ZINC000004238035 EG Annotated Anodyne COC(=O)N1CCC2(CCCN(Cc3ccc(C#N)cc3)C2)CC1 ZINC000004238101 EG Annotated Mild O=C(c1ccco1)N1CCC2(CCCN(c3ccncc3)C2)CC1 ZINC000004238158 EG Annotated Anodyne O=c1cnc2cnc(Oc3ccccc3)nc2n1Cc1cccs1 ZINC000004238259 EG Annotated Anodyne O=c1cnc2cnc(Oc3ccccc3)nc2n1Cc1ccc(F)cc1 ZINC000004238273 EG Annotated Anodyne CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C3CC3)c2n1 ZINC000004238310 EG Annotated Anodyne O=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1 ZINC000004238420 EG Annotated Anodyne Cn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccccc3)nc21 ZINC000004238452 EG Annotated Anodyne O=c1cnc2cnc(Oc3ccccc3)nc2n1CCc1ccccc1 ZINC000004238475 EG Annotated Anodyne O=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccccc1 ZINC000004238524 EG Annotated Anodyne Cc1nc2cnc(Oc3ccccc3)nc2n(-c2ccccc2)c1=O ZINC000004238526 EG Annotated Anodyne O=c1cnc2cnc(Nc3ccccc3)nc2n1Cc1cccs1 ZINC000004238558 EG Annotated Anodyne CCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1 ZINC000004238694 EG Annotated Anodyne O=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccccc1 ZINC000004238839 EG Annotated Anodyne O=c1c(-c2cccs2)nc2cncnc2n1Cc1ccc(F)cc1 ZINC000004238842 EG Annotated Anodyne Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(C2CC2)c1=O ZINC000004238857 EG Annotated Anodyne O=c1c(-c2ccc(F)cc2)nc2cncnc2n1Cc1ccccc1 ZINC000004238895 EG Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc(N(C)Cc3ccco3)ncn2)cc1 ZINC000004239308 EG Annotated Anodyne CN(C)C(=O)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1 ZINC000004239357 EG Annotated Anodyne CCCCC1CCC(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000004248328 EG Annotated Bother COc1ccc(CCC(=O)NCCc2cn3c(C)csc3n2)cc1 ZINC000004248540 EG Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2cc(Nc3ccccc3)ncn2)c1 ZINC000004257413 EG Annotated Anodyne O=C(Nc1nnc(-c2ccco2)o1)c1ccc(Br)s1 ZINC000004264596 EG Annotated Anodyne CN(C)C(=O)c1ccc(-c2nccc(N(C)Cc3ccco3)n2)cc1 ZINC000004264838 EG Annotated Anodyne N#Cc1cccc(-c2ccc3ncnc(NC4CCNCC4)c3c2)c1 ZINC000004265808 EG Annotated Mild CCCCCCC1=NOC[C@@]1(C)C(=O)NC[C@H](O)c1ccccc1 ZINC000004295374 EG Annotated Anodyne CCCCCCC1=NOC[C@]1(C)C(=O)NC[C@H](O)c1ccccc1 ZINC000004295378 EG Annotated Anodyne CCCCCCC1=NOC[C@@]1(C)C(=O)NC[C@@H](O)c1ccccc1 ZINC000004295382 EG Annotated Anodyne CCCCCCC1=NOC[C@]1(C)C(=O)NC[C@@H](O)c1ccccc1 ZINC000004295389 EG Annotated Anodyne CCOC(=O)[C@@]1(C(F)(F)F)NC(C(F)(F)F)=Nc2ccccc21 ZINC000004320624 EG Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)F)NC(C(F)(F)F)=Nc2ccccc21 ZINC000004320625 EG Annotated Anodyne CCOC(=O)c1oc2cc(O)cc(C)c2c(=O)c1-c1cscn1 ZINC000004339384 EG Annotated Anodyne CCc1nn2c(N3CCOCC3)cc(C)nc2c1-c1ccc(F)cc1 ZINC000004355746 EG Annotated Anodyne Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1 ZINC000004375078 EG Annotated Anodyne O=C(O)C[C@@H]1S/C(=N/N=C2CCCCC2)N(c2ccccc2)C1=O ZINC000004380607 EG Annotated Mild O=C(O)C[C@H]1S/C(=N/N=C2CCCCC2)N(c2ccccc2)C1=O ZINC000004380608 EG Annotated Mild Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(N2CCOCC2)c1C ZINC000004388428 EG Annotated Anodyne CCc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(C)=O)C2 ZINC000004399934 EG Annotated Anodyne C=CCNc1nnc(SCC(=O)N2CCCCC2)c2ccccc12 ZINC000004400334 EG Annotated Mild CCC(=O)Nc1ccc(NC(=O)CN2CCC[C@H](C)C2)c(Cl)c1 ZINC000004400508 EG Annotated Anodyne CCC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](C)C2)c(Cl)c1 ZINC000004400509 EG Annotated Anodyne O=C(NCc1nnc(SC/C=C/c2ccccc2)o1)c1ccco1 ZINC000004436243 EG Annotated Anodyne Cc1nc2c(C(=O)NCCC3=CCCCC3)cnn2c(O)c1Cl ZINC000004437678 EG Annotated Clean CC(C)(C)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000004478862 EG Annotated Anodyne Cc1ccc(SCc2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)cc1 ZINC000004487051 EG Annotated Anodyne C[N+]1([O-])CCN(C2=Nc3ccccc3/C(=C\C#N)c3ccccc32)CC1 ZINC000040375235 EG Annotated Reactive C[C@H](NC1=NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccc(Cl)cc1 ZINC000040379422 EG Annotated Anodyne C[C@H](NC1=NC(=O)[C@](C)(C(C)(C)O)S1)c1ccc(Cl)cc1 ZINC000040379423 EG Annotated Anodyne Cc1cc2nc3c4cc(N)ccc4n(CCN(C)C)c3nc2cc1C ZINC000040379537 EG Annotated Bother COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H]3COC[C@H]32)ccc1O ZINC000040380246 EG Annotated Anodyne CC(=O)NCCSC(=O)/C=C/c1ccc(OCC=C(C)C)cc1 ZINC000040380627 EG Annotated Mild CC(C)(C)NC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1 ZINC000040391445 EG Annotated Anodyne CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000040392784 EG Annotated Anodyne Cc1nc2c(c3c1C(=O)c1c(O)cccc1C3=O)C(=O)CC(C)(C)C2 ZINC000040393955 EG Annotated Clean C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000040394769 EG Annotated Mild in-vitro biogenic C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)C[C@H]12 ZINC000040394868 EG Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13CC(=O)[C@@](CO)(CC[C@@H]21)C3 ZINC000040394894 EG Annotated Anodyne COc1cc(CO)c(-c2cc3cc(C)ccc3c(=O)[nH]2)cc1OC ZINC000040401332 EG Annotated Anodyne CO[C@]12C=C(Br)[C@H](C[C@H]1c1cccc(C)c1)[C@]1(CO1)C2=O ZINC000040402175 EG Annotated Anodyne CO[C@]12C=C(Br)[C@H](C[C@@H]1c1cccc(C)c1)[C@]1(CO1)C2=O ZINC000040402178 EG Annotated Anodyne O=C(O)c1ccccc1-c1nc2ccccc2n1C(=O)c1cccnc1 ZINC000040402524 EG Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)n1 ZINC000040402664 EG Annotated Anodyne Cc1ccnc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)n1 ZINC000040402667 EG Annotated Anodyne COc1ccc2nc(Nc3nc(=O)c4cc(C)ccc4[nH]3)nc(C)c2c1 ZINC000040402712 EG Annotated Anodyne COc1ccc(N[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1 ZINC000040402791 EG Annotated Mild COc1ccc(N[C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1 ZINC000040402794 EG Annotated Mild CC(=O)NC1=C(c2ccccc2Cl)C(=O)c2ccccc2C1=O ZINC000040403387 EG Annotated Mild O=c1cnnc2n1-c1ccc(Oc3ccc(Cl)cc3)cc1CC2 ZINC000040405188 EG Annotated Anodyne CCCCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000040406034 EG Annotated Anodyne CCCCSc1nnc(CSc2nc3nc(C)ccn3n2)o1 ZINC000040407812 EG Annotated Anodyne CCCCCN(C)CCc1cnc(N2CCN(CCC)CC2)s1 ZINC000040408670 EG Annotated Anodyne O=C(/C=C/c1cccs1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000040408735 EG Annotated Mild CCC[C@]1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000040409339 EG Annotated Anodyne CCC[C@@]1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000040409343 EG Annotated Anodyne CCNc1nc2c(ncn2-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000040410982 EG Annotated Anodyne COc1cc2c(c3c1CC[C@@](C)(CC(=O)C=C(C)C)O3)COC2=O ZINC000040411097 EG Annotated Mild COc1cc2c(c3c1CC[C@](C)(CC(=O)C=C(C)C)O3)COC2=O ZINC000040411100 EG Annotated Mild O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1Br ZINC000040411795 EG Annotated Reactive O=C1CS[C@@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1Br ZINC000040411798 EG Annotated Reactive O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1Br ZINC000040411801 EG Annotated Reactive O=C1CS[C@@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1Br ZINC000040411802 EG Annotated Reactive Cc1cc(C)cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000040413603 EG Annotated Anodyne Cc1cc(C)cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000040413606 EG Annotated Anodyne C[N+]1(C)[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)COC3)OCO4 ZINC000040414072 EG Annotated Bother COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(C)ccc32)c1 ZINC000040420396 EG Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(C)ccc32)c1 ZINC000040420398 EG Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 ZINC000040420831 EG Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 ZINC000040420833 EG Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2O)C[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000040422693 EG Annotated Anodyne CN1CCO[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000040423151 EG Annotated Anodyne in-vitro CN1CCO[C@@](O)(c2ccc(-c3ccc(Br)cc3)cc2)C1 ZINC000040423152 EG Annotated Anodyne in-vitro NC(=S)Nc1cccc(OCCCCCOc2ccccn2)c1 ZINC000040423421 EG Annotated Anodyne CCSC(=S)SCC(=O)c1ccc(CCNC(C)=O)cc1 ZINC000040423571 EG Annotated Anodyne CCCCCN1C(=O)/C(=N\NC(=O)C(C)(C)C)c2ccc(OC)cc21 ZINC000040424514 EG Annotated Reactive CCC[C@H]1OC(=O)[C@]2(S(=O)(=O)c3ccccc3)CCC=CC[C@H]12 ZINC000040424550 EG Annotated Anodyne O=C1CC[C@@H](CCCC[C@@H]2CC(C(=O)OCc3ccccc3)=NO2)O1 ZINC000040428738 EG Annotated Anodyne O=C1CC[C@@H](CCCC[C@H]2CC(C(=O)OCc3ccccc3)=NO2)O1 ZINC000040428739 EG Annotated Anodyne O=C1CC[C@H](CCCC[C@@H]2CC(C(=O)OCc3ccccc3)=NO2)O1 ZINC000040428740 EG Annotated Anodyne O=C1CC[C@H](CCCC[C@H]2CC(C(=O)OCc3ccccc3)=NO2)O1 ZINC000040428741 EG Annotated Anodyne O=C(O)C(=O)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 ZINC000040428876 EG Annotated Anodyne O=C(O)C(=O)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 ZINC000040428878 EG Annotated Anodyne Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ncccn3)=N2)cc1 ZINC000040429189 EG Annotated Anodyne CCOCCOC(=O)c1c(C(C)C)nn(-c2ccc(C)cc2)c1N ZINC000040429239 EG Annotated Anodyne CCCCCCNC(=O)c1cc(CCCC[C@@H]2CCC(=O)O2)on1 ZINC000040430099 EG Annotated Anodyne CCCCCCNC(=O)c1cc(CCCC[C@H]2CCC(=O)O2)on1 ZINC000040430101 EG Annotated Anodyne CN(Cc1cccnc1)c1ccc2ncc(-c3ccc(C#N)cc3)n2n1 ZINC000040430125 EG Annotated Mild Cc1nc2c(NCc3cccnc3)cc(-n3ccccc3=O)cn2c1C ZINC000040431163 EG Annotated Anodyne CCCCCN1C(=O)/C(=N\NC(=O)CC(C)C)c2ccc(OC)cc21 ZINC000040431349 EG Annotated Reactive C[C@@H]1CC[C@@](C)(/N=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000040465556 EG Annotated Clean C[C@H]1CC[C@@](C)(/N=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21 ZINC000040465561 EG Annotated Clean C=C(c1c(C)ccc(C)c1OC[C@H](O)CNC(C)(C)C)n1ccnc1 ZINC000040467001 EG Annotated Anodyne C=C(c1c(C)ccc(C)c1OC[C@@H](O)CNC(C)(C)C)n1ccnc1 ZINC000040467002 EG Annotated Anodyne CC(C)/C=C/C(=O)[C@H](C)CCC[C@]1(C)CO[C@H](CC(=O)O)CO1 ZINC000040492136 EG Annotated Mild CC(C)/C=C/C(=O)[C@H](C)CCC[C@@]1(C)CO[C@H](CC(=O)O)CO1 ZINC000040492139 EG Annotated Mild O=[N+]([O-])c1cnc2[nH]c(-c3cc(F)cc(Br)c3)nc2c1 ZINC000400268140 EG Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Br)cc3F)nc2c1 ZINC000400295919 EG Annotated Anodyne Cc1nc2[nH]c(CC(C)(C)CC(=O)O)nc2cc1Br ZINC000404502430 EG Annotated Anodyne Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)c(/N=C/C(=O)O)c12 ZINC000040504125 EG Annotated Mild CN1CCN2c3ccc(Cl)c(-c4ccccc4)c3CNC[C@@H]2C1 ZINC000040525998 EG Annotated Anodyne N#CC1=C(N)[C@@H]2[C@@H](c3ccccc3)c3ccc(O)cc3O[C@@H]2CC1=N ZINC000040533272 EG Annotated Reactive CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccn2)OC1=O ZINC000040556678 EG Annotated Anodyne CN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)c(F)c2)OC1=O ZINC000040564602 EG Annotated Anodyne O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1 ZINC000040564898 EG Annotated Mild C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccc(O)cc1 ZINC000040564969 EG Annotated Mild CN1CC[C@@H](CN(Cc2ccccc2)Cc2cccc(C#N)c2)OC1=O ZINC000040565124 EG Annotated Mild CCNC(=O)N(c1ccc(OC)cc1)c1ccnc(NC(C)C)n1 ZINC000040565905 EG Annotated Anodyne COc1ccc(CCn2cc(C(=O)c3ccc(C)c(C)c3)nn2)cc1 ZINC000040567001 EG Annotated Anodyne NC(=S)N/N=C1/CCC[C@@H](c2ccc(Br)cc2)C1 ZINC000040567050 EG Annotated Mild NC(=S)N/N=C1/CCC[C@H](c2ccc(Br)cc2)C1 ZINC000040567051 EG Annotated Mild CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1ccncc1)CCC2 ZINC000040568590 EG Annotated Mild CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1cccnc1)CCC2 ZINC000040575921 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@H](C(=O)OC)CC(=O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000040576940 EG Annotated Mild CNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1csnn1 ZINC000040577030 EG Annotated Anodyne CNC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1csnn1 ZINC000040577032 EG Annotated Anodyne O=C(O)c1cnn(-c2ccc(COCc3ccc(Cl)cc3)cn2)c1 ZINC000040584334 EG Annotated Anodyne O=C(O)c1cnn(-c2ccc(COCc3cccc(Cl)c3)cn2)c1 ZINC000040584336 EG Annotated Anodyne COc1ccc(Nc2ccc([N+](=O)[O-])c3nc[nH]c(=O)c23)cc1Cl ZINC000040585035 EG Annotated Bother COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 ZINC000040587743 EG Annotated Reactive COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 ZINC000040587744 EG Annotated Reactive O=S(=O)(N[C@@H]1[C@H]2CCCC[C@]1(CO)CC2)c1ccc(Cl)s1 ZINC000040614202 EG Annotated Anodyne CCN(CC)/C(=N\C#N)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 ZINC000040617208 EG Annotated Mild COc1ccc(-c2c(-c3ccc(F)cc3)nc3n2CC[S@]3=O)cc1 ZINC000040631396 EG Annotated Anodyne COc1ccc(-c2c(-c3ccc(F)cc3)nc3n2CC[S@@]3=O)cc1 ZINC000040631398 EG Annotated Anodyne O=C(O)c1cn2c(n1)N=[S@](=O)(c1ccccc1)c1ccccc1-2 ZINC000040632204 EG Annotated Anodyne Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@@H]1CC(C)(C)NC1(C)C ZINC000040640993 EG Annotated Anodyne Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@@H]1CC(C)(C)NC1(C)C ZINC000040640997 EG Annotated Anodyne Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@H]1CC(C)(C)NC1(C)C ZINC000040641000 EG Annotated Anodyne Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@H]1CC(C)(C)NC1(C)C ZINC000040641003 EG Annotated Anodyne C[N+]1([O-])CCN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 ZINC000040676613 EG Annotated Reactive COc1cc(/C=C2\C(=O)ON=C2c2cccs2)ccc1OC(C)=O ZINC000040685497 EG Annotated Mild CCN1CCN[C@H](c2ccc(O)cc2F)[C@@H]1c1ccc(O)cc1F ZINC000040685868 EG Annotated Anodyne Cc1ccc([C@H](O)[C@@H]2CN(C)CC[C@]2(O)c2ccc(C)cc2)cc1 ZINC000040709793 EG Annotated Anodyne CC(=O)ON(/C=C\C(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000040712352 EG Annotated Mild CC1=C(C#N)C(C2=CC=CN(C(=O)OC(C)(C)C)C2)C(C#N)=C(C)N1 ZINC000040720204 EG Annotated Reactive CN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](c2ncc[nH]2)C1 ZINC000040724099 EG Annotated Anodyne O=C(O)c1cnn(-c2ccc(COCc3ccccc3Cl)cn2)c1 ZINC000040753221 EG Annotated Anodyne Clc1ccc(Cl)c(-c2ccnc(N3CC[C@H]4CNC[C@H]43)n2)c1 ZINC000040762579 EG Annotated Anodyne CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2C#N)OC1=O ZINC000040762855 EG Annotated Mild Oc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)nn1 ZINC000040763201 EG Annotated Anodyne CN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O ZINC000040763395 EG Annotated Anodyne N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)cc2)o1 ZINC000040763480 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12 ZINC000040764413 EG Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)CC)=C/C[C@H]12 ZINC000040764414 EG Annotated Mild Cc1cccc(C)c1OC[C@@H](C)NC(=O)C1=CC(C)(C)NC1(C)C ZINC000040801172 EG Annotated Anodyne Cc1cccc(C)c1OC[C@H](C)NC(=O)C1=CC(C)(C)NC1(C)C ZINC000040801176 EG Annotated Anodyne O=C1CCC(c2ccc(NCc3ccnc4ccccc34)cc2)=NN1 ZINC000040801555 EG Annotated Anodyne COc1c(O)ccc2c1-c1c(OC)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000040802035 EG Annotated Bother CN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2F)OC1=O ZINC000040812388 EG Annotated Anodyne COc1cc(OC)c2c(=O)c3cc([N+](=O)[O-])c(Cl)cc3n(C)c2c1 ZINC000040812616 EG Annotated Bother O=S1(=O)C=C(OCc2ccccc2)[C@]2(CCc3ccccc3C2)O1 ZINC000040828935 EG Annotated Mild O=S1(=O)C=C(OCc2ccccc2)[C@@]2(CCc3ccccc3C2)O1 ZINC000040828937 EG Annotated Mild COc1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1 ZINC000040829486 EG Annotated Mild N#Cc1cnn(-c2ncnc3sc4c(c23)-c2ccccc2CC4)c1N ZINC000040829621 EG Annotated Mild CC/C=C\C[C@@H]1C(=O)C(I)=C[C@@H]1CC(=O)OC ZINC000040834055 EG Annotated Mild O=C1CC2(CCCCC2)C(=O)N1Nc1ccc(Br)cc1 ZINC000040834423 EG Annotated Anodyne CCCCn1nc(C(=O)c2cc(Cl)ccc2N)cc1C(=O)OCC ZINC000040834443 EG Annotated Anodyne COc1ccc2c(c1)O[C@@H]1CC(=N)C(C#N)=C(N)[C@@H]1[C@@H]2c1ccccc1 ZINC000040834482 EG Annotated Reactive COc1ccc2c(c1)O[C@H]1CC(=N)C(C#N)=C(N)[C@@H]1[C@@H]2c1ccccc1 ZINC000040834484 EG Annotated Reactive CC(=O)N1CCC(Oc2cc3cnccc3cc2Br)CC1 ZINC000040834699 EG Annotated Anodyne C=CC(C)(C)c1c(O)c(/C=C/C(=O)O)c2c(c1O)C(=O)CC(C)(C)O2 ZINC000040836111 EG Annotated Mild Cc1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-])cc1 ZINC000040845079 EG Annotated Mild CC(C)(C)c1cc2c(N/N=C\c3cccc(CN)n3)ncnc2s1 ZINC000040845154 EG Annotated Mild Cc1ccsc1/C=C/C(=O)c1ccc(O)c(CN2CCOCC2)c1 ZINC000040845464 EG Annotated Mild O=C1OCC2=C1[C@H](c1cc(F)cc(F)c1)c1cc3c(cc1N2)OCO3 ZINC000040845896 EG Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(F)cc(F)c1)c1cc3c(cc1N2)OCO3 ZINC000040845898 EG Annotated Anodyne C[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040846290 EG Annotated Mild C[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1 ZINC000040846292 EG Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13[C@H](O)O[C@@H]4OC(=O)[C@H](CC[C@H]21)[C@@H]43 ZINC000040846638 EG Annotated Anodyne Nc1nccc(-c2ccc3nc([C@@H]4COc5ccccc5C4)[nH]c3c2)n1 ZINC000040847209 EG Annotated Anodyne Nc1nccc(-c2ccc3nc([C@H]4COc5ccccc5C4)[nH]c3c2)n1 ZINC000040847211 EG Annotated Anodyne COc1cc(CO)c(Oc2cc(C)cc(OC)c2C(=O)O)c(OC)c1 ZINC000040847575 EG Annotated Anodyne C/C1=C\C=C(\[C@@](C)(O)CO)CC/C(C=O)=C/CC[C@]2(C)O[C@H]2CC1 ZINC000040847639 EG Annotated Reactive CCc1c(CC2=CC2)c(OC)nc2nc(C(=O)c3ccccc3)cn12 ZINC000040847883 EG Annotated Anodyne C[C@H](NC1=NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccccc1Cl ZINC000040848953 EG Annotated Anodyne C[C@H](NC1=NC(=O)[C@](C)(C(C)(C)O)S1)c1ccccc1Cl ZINC000040848955 EG Annotated Anodyne O=C(Oc1cccc(F)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000040860109 EG Annotated Bother S=C(N1CCCC1)N1CCC(c2cccc(Br)c2)=N1 ZINC000040861092 EG Annotated Anodyne CC(C)(C)CC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1 ZINC000040861278 EG Annotated Anodyne COc1cc2[nH]c3c(=O)[nH]cc(-c4ccc(O)cc4)c3c2cc1OC ZINC000040861937 EG Annotated Anodyne CC(C)(C)c1cc2c(N/N=C\c3cccc(CO)n3)ncnc2s1 ZINC000040862081 EG Annotated Mild COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@]3(CC[C@H]12)C[C@]4(O)CO ZINC000040862570 EG Annotated Anodyne CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cccc(F)c3)nn2)CC1 ZINC000040863121 EG Annotated Anodyne C[C@H](NC1=NC(=O)[C@@](C)(C2(O)CCCC2)S1)c1ccc(F)cc1 ZINC000040863450 EG Annotated Anodyne C[C@H](NC1=NC(=O)[C@](C)(C2(O)CCCC2)S1)c1ccc(F)cc1 ZINC000040863453 EG Annotated Anodyne COC1=C[C@@H]2C=Cc3c(CCN(C)O)cc4c(c3[C@H]2C=C1)OCO4 ZINC000040864975 EG Annotated Anodyne COC1=C[C@H]2C=Cc3c(CCN(C)O)cc4c(c3[C@H]2C=C1)OCO4 ZINC000040864978 EG Annotated Anodyne CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3)nn2)CC1 ZINC000040866263 EG Annotated Anodyne CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1 ZINC000040866265 EG Annotated Anodyne CO[C@]12C[C@@H]3C=C(CSC(C)=O)CC[C@H]3C(C)(C)C1=CC(=O)O2 ZINC000040866462 EG Annotated Anodyne CN(C)C(=O)c1cc2cc([C@]3(Cc4ccccc4)CCNC3)ccc2[nH]1 ZINC000040866668 EG Annotated Anodyne CN(C)C(=O)c1cc2cc([C@@]3(Cc4ccccc4)CCNC3)ccc2[nH]1 ZINC000040866670 EG Annotated Anodyne COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000040867043 EG Annotated Mild CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)cc1 ZINC000040872300 EG Annotated Anodyne CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)cc1 ZINC000040872302 EG Annotated Anodyne CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)cc1 ZINC000040872304 EG Annotated Anodyne CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)cc1 ZINC000040872306 EG Annotated Anodyne CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000040872308 EG Annotated Clean CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000040872310 EG Annotated Clean CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000040872312 EG Annotated Clean CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H]4C(=O)O[C@@H]([C@H](O)[C@@H]12)[C@@H]43 ZINC000040873083 EG Annotated Anodyne O=C(O)CN(C(=O)c1ccccc1O)c1cc(Cl)cc(Cl)c1 ZINC000040873503 EG Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13CC(=O)[C@](C)(C1)[C@H](O)C[C@@H]23 ZINC000040873538 EG Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C/C=C1/CCOC1=O ZINC000040875125 EG Annotated Mild COc1cc(CO)c(-c2cc3ccc(C)cc3c(=O)[nH]2)cc1OC ZINC000040875231 EG Annotated Anodyne NCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 ZINC000040875433 EG Annotated Anodyne CCN(CCO)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040877085 EG Annotated Bother CCSc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O ZINC000040877118 EG Annotated Anodyne COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1ccccc1OCC3 ZINC000040877135 EG Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@H]1O ZINC000040880459 EG Annotated Mild COc1cc2c3c(cc4cc5c(cc4c3c1OC)OCO5)N(C)C2=O ZINC000040880508 EG Annotated Bother COc1ccc(OC)c(Nc2nc(-c3ccccn3)ncc2OC)c1 ZINC000040891838 EG Annotated Anodyne Nc1ccccc1C#C/C=C\C#CC#C/C=C\C#Cc1ccccc1N ZINC000040892183 EG Annotated Mild CC/C=C\C=C/C(=O)N/C=C/C[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000040892754 EG Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C/C[C@H]1Cc2cccc(O)c2C(=O)O1 ZINC000040892757 EG Annotated Anodyne C[C@H]1C2=CC(=O)O[C@]2(O)C[C@H]2[C@H]1CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C ZINC000040893119 EG Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(CC[C@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3 ZINC000040893319 EG Annotated Mild O=C1COc2cc(NCc3ccc(Br)cc3)ccc2N1 ZINC000040894056 EG Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)[C@H]2C[C@@H](O)C=C3[C@@]1(C)CCc1ccoc1 ZINC000040894187 EG Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000040895717 EG Annotated Anodyne Nc1ccc(OS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc1 ZINC000040896529 EG Annotated Clean O=c1cnnc2n1-c1ccc(Oc3cccc(Cl)c3)cc1CC2 ZINC000040899461 EG Annotated Anodyne CCCC(=O)NNc1[nH]c(-c2ccc(C)cc2)cc1C(=O)OCC ZINC000040900340 EG Annotated Reactive CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]c1NNC(=O)C(C)C ZINC000040900629 EG Annotated Reactive O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1O2)OCO3 ZINC000040901022 EG Annotated Anodyne O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1O2)OCO3 ZINC000040901025 EG Annotated Anodyne C[C@]1(C(=O)N=c2[nH]cc[nH]2)CC2c3ccccc3C1c1ccccc12 ZINC000040901102 EG Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(\C)CC/C=C(\C)[C@H]2O ZINC000040901326 EG Annotated Mild CNC1=Nc2ncccc2C(c2nccs2)=N[C@@H]1c1cccs1 ZINC000040913395 EG Annotated Anodyne CNC1=Nc2ncccc2C(c2nccs2)=N[C@H]1c1cccs1 ZINC000040913397 EG Annotated Anodyne C=CC(=O)NC1=CC=C2N=CN=C(Nc3cccc(C(F)(F)F)c3)[C@@H]21 ZINC000040914226 EG Annotated Anodyne C=CC(=O)NC1=CC=C2N=CN=C(Nc3cccc(C(F)(F)F)c3)[C@H]21 ZINC000040914227 EG Annotated Anodyne CC(=O)NC1=C(c2cccc(Cl)c2)C(=O)c2ccccc2C1=O ZINC000040914375 EG Annotated Mild O=c1cnnc2n1-c1ccc(Oc3ccccc3Cl)cc1CC2 ZINC000040915097 EG Annotated Anodyne CC[C@H](O)CNCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040915765 EG Annotated Bother CC[C@@H](O)CNCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040915767 EG Annotated Bother OC[C@H]1C[C@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 ZINC000040915877 EG Annotated Mild CC(=O)n1c(=O)n(Cc2c(F)cccc2F)c2cc(Cl)ccc21 ZINC000040915994 EG Annotated Anodyne O=C(/C=C/c1cccs1)c1cccc(O)c1CN1CCOCC1 ZINC000040916345 EG Annotated Mild C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(CC1=O)C2 ZINC000040916391 EG Annotated Anodyne CN(C)c1cc(O)cc(OCCCOc2cc(O)cc(N(C)C)c2)c1 ZINC000040917188 EG Annotated Anodyne CCOc1cc2cn3c(cc-2cc1=O)-c1cc2c(cc1CC3)OCO2 ZINC000040918087 EG Annotated Anodyne Cc1ccsc1/C=C/C(=O)c1cccc(O)c1CN1CCOCC1 ZINC000040918602 EG Annotated Mild CCC1(CC)CC(=O)N(Nc2ccc(Br)cc2)C1=O ZINC000040918638 EG Annotated Anodyne CCCCOc1nc(NC)c2ncn(Cc3c(F)cccc3F)c2n1 ZINC000040918643 EG Annotated Anodyne c1ccc(CO/N=C2\c3ccccc3CC[C@@H]2Cn2cncn2)cc1 ZINC000040918797 EG Annotated Mild c1ccc(CO/N=C2\c3ccccc3CC[C@H]2Cn2cncn2)cc1 ZINC000040918798 EG Annotated Mild Nc1cccc(Nc2ncnc3c2ncn3CCc2ccc(O)cc2)c1 ZINC000040919068 EG Annotated Anodyne CCCC(CCC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000040919117 EG Annotated Anodyne CC(C)(CO)NCCCOc1cccc2c(=O)c3ccccc3oc12 ZINC000040933029 EG Annotated Bother C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]12OC3=O ZINC000040933717 EG Annotated Mild O=C(Nc1ccc(Oc2cncnc2)nc1)c1c[nH]c2ccccc12 ZINC000040934248 EG Annotated Anodyne CC[C@H](CC(C)C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000040936050 EG Annotated Anodyne O=C1OCC2=C1[C@H](c1ccccc1Cl)c1cc3c(cc1N2)OCO3 ZINC000040937295 EG Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccccc1Cl)c1cc3c(cc1N2)OCO3 ZINC000040937297 EG Annotated Anodyne O=S(=O)(Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000040937523 EG Annotated Anodyne NCc1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1 ZINC000040938140 EG Annotated Anodyne CN(C)c1ccc(N2C(=O)c3ccc(OCCCF)cc3C2=O)cc1 ZINC000040938823 EG Annotated Anodyne Cc1c(OS(=O)(=O)c2cccc(F)c2)cccc1C1CCNCC1 ZINC000040938859 EG Annotated Anodyne NCc1cccc(-c2cc3ccncc3cc2OC2CCNCC2)c1 ZINC000040939787 EG Annotated Anodyne Cc1c(OS(=O)(=O)c2ccccc2)cccc1C1CCNCC1 ZINC000040939809 EG Annotated Anodyne CNc1ccc(N2C(=O)c3ccc(OCCCF)cc3C2=O)cc1 ZINC000040943026 EG Annotated Anodyne O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@@H]1[N+](=O)[O-] ZINC000040943386 EG Annotated Bother O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@@H]1[N+](=O)[O-] ZINC000040943388 EG Annotated Bother O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@@H]1[N+](=O)[O-] ZINC000040943390 EG Annotated Bother O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@@H]1[N+](=O)[O-] ZINC000040943391 EG Annotated Bother O=C1NCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040943484 EG Annotated Anodyne O=C1NCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040943486 EG Annotated Anodyne Nc1n[nH]c2c1S(=O)(=O)c1cc(Cl)ccc1N2c1ccccc1 ZINC000040943534 EG Annotated Anodyne Cc1nc([N+](=O)[O-])cn1CCOCc1ccc(OC(F)(F)F)cc1 ZINC000040949281 EG Annotated Bother O=c1[nH]c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]1 ZINC000040949951 EG Annotated Anodyne CCC[C@@H]1O[C@H](CC(=O)OCC)CC2=C1C(=O)c1ccccc1C2=O ZINC000040950553 EG Annotated Mild O=C1N=C(NC2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1 ZINC000040951254 EG Annotated Anodyne Oc1c(-c2nc(Cc3cccc(Cl)c3)n[nH]2)ncc2cccnc12 ZINC000040951855 EG Annotated Anodyne O=c1c2cccc(/C=N\Nc3ccccn3)c2oc2cc(O)cc(O)c12 ZINC000040952520 EG Annotated Mild O=C(NNc1cccc2ncccc12)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000040953279 EG Annotated Reactive O=c1c2ccc(/C=N/Nc3ccccn3)cc2oc2cc(O)cc(O)c12 ZINC000040954011 EG Annotated Mild CCC[C@H]1O[C@H](CC(=O)OCC)CC2=C1C(=O)c1ccccc1C2=O ZINC000040955889 EG Annotated Mild C=CCn1c(COc2ccc(NC(=S)NCC)cc2)n[nH]c1=S ZINC000040956480 EG Annotated Mild Cc1ccccc1CNc1cc(-n2cncn2)cn2c(C)c(C)nc12 ZINC000040972839 EG Annotated Anodyne O=c1c2cc(/C=N/Nc3ccccn3)ccc2oc2cc(O)cc(O)c12 ZINC000040976630 EG Annotated Mild O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCCc2ccc(F)cc2)C1 ZINC000040977261 EG Annotated Anodyne Clc1ccc(Nc2nc3ccc(C4=NCCN4)cc3s2)nc1 ZINC000040977267 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC(Nc2cccc(OC(F)(F)F)c2)=CC1=O ZINC000040979441 EG Annotated Mild CCOC(=O)[C@H]1CCC(Nc2cccc(OC(F)(F)F)c2)=CC1=O ZINC000040979443 EG Annotated Mild Cc1cn2c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c(C)nc2s1 ZINC000040979701 EG Annotated Clean Cc1ccc(C)c2c(CC(=O)N/N=C/c3ccccc3)cc(=O)oc12 ZINC000040981129 EG Annotated Reactive COc1cc(OC)c(-c2oc3cc(O)c(O)cc3c2C=O)c(OC)c1 ZINC000042878416 EG Annotated Clean Cc1c(OS(=O)(=O)c2ccccc2F)cccc1C1CCNCC1 ZINC000042879064 EG Annotated Anodyne O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000042888663 EG Annotated Anodyne O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000042888667 EG Annotated Anodyne Nc1n[nH]c2c1S(=O)(=O)c1ccc(Cl)cc1N2c1ccccc1 ZINC000042889207 EG Annotated Anodyne O=C1c2c(ccc(O)c2O)CN1Cc1cc(Cl)c(F)cc1F ZINC000042919981 EG Annotated Clean CCOC(OCC)n1c2ccccc2c2c(N)cc(N(C)C)nc21 ZINC000042920242 EG Annotated Anodyne Cc1c(CN2CCN(C(=O)NC(C)C)CC2)sc2ccccc12 ZINC000042921581 EG Annotated Anodyne COc1ccccc1CN(C)CCCn1c(=O)oc2ccccc21 ZINC000042921712 EG Annotated Anodyne CCCN(C)C(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1 ZINC000042921835 EG Annotated Anodyne COc1ccc(C2=NO[C@H](c3noc(C(F)(F)F)n3)C2)cc1F ZINC000042921905 EG Annotated Anodyne COc1ccc(C2=NO[C@@H](c3noc(C(F)(F)F)n3)C2)cc1F ZINC000042921907 EG Annotated Anodyne C#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 ZINC000042924153 EG Annotated Reactive CC[C@H]1NC(=O)OC12CC[N+](C)(CCc1c[nH]c3ccccc13)CC2 ZINC000042963707 EG Annotated Bother CC[C@@H]1NC(=O)OC12CC[N+](C)(CCc1c[nH]c3ccccc13)CC2 ZINC000042963710 EG Annotated Bother CCc1c(Sc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O ZINC000042988901 EG Annotated Anodyne Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(Cl)cccc1Cl ZINC000042989238 EG Annotated Bother CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12 ZINC000042989886 EG Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000042989944 EG Annotated Bother CN(Cc1cccc2ccccc12)Cn1nc(-c2ccncc2)oc1=O ZINC000043009912 EG Annotated Anodyne CCOP(=O)(OCC)O[C@H](NCCCN(C)C)c1ccco1 ZINC000043010348 EG Annotated Anodyne CCOP(=O)(OCC)O[C@@H](NCCCN(C)C)c1ccco1 ZINC000043010351 EG Annotated Anodyne COc1ccc(-c2nc(-c3ccc(O)cc3)cnc2NC(C)=O)cc1 ZINC000043014430 EG Annotated Anodyne CC(C)=CCc1cc(C(=O)[C@@H](O)Cc2ccc(O)cc2)c(O)cc1O ZINC000043016569 EG Annotated Anodyne O=c1cc(CNCc2ccc(Cl)cc2)oc2ccc(O)c(O)c12 ZINC000043018076 EG Annotated Clean COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3COC[C@H]23)ccc1O ZINC000043019296 EG Annotated Anodyne OCc1c(CO)c(-c2ccc(F)c(F)c2)n2c1Cc1ccccc1-2 ZINC000043019331 EG Annotated Anodyne O=C(CCCc1cccs1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2 ZINC000043019775 EG Annotated Anodyne C=CCN(CC=C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21 ZINC000043020386 EG Annotated Mild CC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000043022483 EG Annotated Anodyne CCNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1 ZINC000043022983 EG Annotated Anodyne O=C1c2c(ccc(O)c2O)CN1Cc1c(F)ccc(F)c1Cl ZINC000043023710 EG Annotated Clean O=C(CCCc1cccs1)Nc1ccc2c(c1)C[C@@H](C(=O)O)OC2 ZINC000043023878 EG Annotated Anodyne O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000043024459 EG Annotated Clean CC1=CC=CC2=NC[C@H](C(=O)c3ccc(Br)cc3)CN12 ZINC000043062410 EG Annotated Anodyne CC1=CC=CC2=NC[C@@H](C(=O)c3ccc(Br)cc3)CN12 ZINC000043062413 EG Annotated Anodyne O=C1c2c(ccc(O)c2O)CN1Cc1cccc(Br)c1 ZINC000043063489 EG Annotated Clean Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1 ZINC000043064306 EG Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1 ZINC000043068427 EG Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1 ZINC000043068439 EG Annotated Anodyne COc1c(O)ccc2c1OCC(c1ccc(O)c(OC)c1OC)=C2 ZINC000043069949 EG Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C(/C=C/CCC)C(=O)[C@@]21C ZINC000043070378 EG Annotated Mild O=C(O)c1c(-c2ccccc2)csc1NC(=S)N1CCOCC1 ZINC000043071574 EG Annotated Anodyne C#CCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21 ZINC000043072471 EG Annotated Mild CN(C)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1 ZINC000043072788 EG Annotated Anodyne O=c1cc(CNCc2cccc(Cl)c2)oc2ccc(O)c(O)c12 ZINC000043074183 EG Annotated Clean O=c1c(Cl)nc(Cl)c(CBr)n1-c1ccccc1 ZINC000043074881 EG Annotated Reactive Cc1cccc(OC(C)(C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000043075223 EG Annotated Reactive CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O ZINC000043075278 EG Annotated Anodyne N#CCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21 ZINC000043075796 EG Annotated Mild COc1ccc(CNC(=O)Oc2ccc(C3=NCCS3)cc2)cc1 ZINC000043075918 EG Annotated Anodyne CC(=O)c1ccc(/N=N/N(C)C(=O)NCCc2ccc(O)cc2)cc1 ZINC000043075957 EG Annotated Reactive Cc1nc2c(-c3ccc(F)cc3)[nH]c(-c3ccc(O)cc3)cn-2c1=O ZINC000043076953 EG Annotated Anodyne CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1 ZINC000043077062 EG Annotated Bother CC(C)c1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O ZINC000043077071 EG Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1ccccc1[N+](=O)[O-] ZINC000043121419 EG Annotated Bother COc1ccc(-c2[nH]c(-c3ccc(O)cc3)cn3c(=O)c(C)nc2-3)cc1 ZINC000043122605 EG Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1cccc([N+](=O)[O-])c1 ZINC000043122903 EG Annotated Bother O=C(Nc1nnc(C2CCCC2)s1)c1ccc2c(c1)OCCO2 ZINC000043123534 EG Annotated Anodyne NC[C@@H]1CCCc2cc(S(=O)(=O)c3c[nH]c4ccccc34)ccc21 ZINC000043130645 EG Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](CO)[C@@]2(C)CCC1=CCOC1=O ZINC000043153150 EG Annotated Mild Cc1ccc(CNCC2(F)CCN(C(=O)c3cccs3)CC2)nc1 ZINC000043204879 EG Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3ccsc3)CC2)nc1 ZINC000043204882 EG Annotated Anodyne CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@@H]2CC[C@H]3CCCC[C@]13OO2 ZINC000043328004 EG Annotated Reactive CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@H]2CC[C@H]3CCCC[C@@]13OO2 ZINC000043328005 EG Annotated Reactive CO[C@@]12CCC[C@@H](C1)[C@@H](I)C(C)(C)OO2 ZINC000043393655 EG Annotated Reactive CO[C@@]12CCC[C@@H](C1)[C@H](I)C(C)(C)OO2 ZINC000043393658 EG Annotated Reactive CO[C@]12CCC[C@H](C[C@](C)(CI)OO1)C2 ZINC000043393863 EG Annotated Reactive CO[C@]12CCC[C@H](C[C@@](C)(CI)OO1)C2 ZINC000043393866 EG Annotated Reactive CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H]1O4 ZINC000043397139 EG Annotated Reactive CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H]1O4 ZINC000043397140 EG Annotated Reactive CCCCCCCN(C(=O)Cc1ccc(OC)cc1)[C@@H](CC)C(N)=O ZINC000043397160 EG Annotated Mild CCCCCCCN(C(=O)Cc1ccc(OC)cc1)[C@H](CC)C(N)=O ZINC000043397161 EG Annotated Mild COC(=O)c1ccc([C@H]2OO[C@@]3(CCC[C@@H](C)C3)[C@@H](OC)O2)cc1 ZINC000043443083 EG Annotated Reactive COC(=O)c1ccc([C@H]2OO[C@]3(CCC[C@@H](C)C3)[C@@H](OC)O2)cc1 ZINC000043443085 EG Annotated Reactive CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@H]2Cc1ccc(CO)cc1 ZINC000043450363 EG Annotated Reactive CCOC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043470174 EG Annotated Reactive CCCCCCCCCc1cc2cn(COCCO)c(=O)nc2o1 ZINC000043470287 EG Annotated Mild CCCCCCCCC#Cc1cc2cn(COCCO)c(=O)nc2o1 ZINC000043481798 EG Annotated Mild CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2O ZINC000043510289 EG Annotated Clean in-man C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC2(CCCC2)OO1 ZINC000043552525 EG Annotated Reactive C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC2(CCCC2)OO1 ZINC000043552527 EG Annotated Reactive CC#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 ZINC000043552674 EG Annotated Reactive C#C[C@@]12C=C(C#N)C(=O)C=C1[C@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 ZINC000043553024 EG Annotated Reactive C#C[C@@]12C=C(C#N)C(=O)C=C1[C@]1(C)C=C(C#N)C(=O)C(C)(C)[C@H]1CC2 ZINC000043553026 EG Annotated Reactive C=C1COOC2(CCC(Cc3ccc(C(=O)OC)cc3)CC2)OOC1 ZINC000043606211 EG Annotated Reactive CCCCCCCCCCC#Cc1csc([C@@H](O)[C@@H](N)CO)n1 ZINC000043815505 EG Annotated Mild O=C1N(Cc2ccccc2)C[C@H](c2ccc(F)cc2)[C@]12CCCNC2 ZINC000044137525 EG Annotated Anodyne O=C1N(Cc2ccccc2)C[C@@H](c2ccc(F)cc2)[C@]12CCCNC2 ZINC000044137528 EG Annotated Anodyne O=C1N(Cc2ccccc2)C[C@H](c2ccc(F)cc2)[C@@]12CCCNC2 ZINC000044137530 EG Annotated Anodyne O=C1N(Cc2ccccc2)C[C@@H](c2ccc(F)cc2)[C@@]12CCCNC2 ZINC000044137533 EG Annotated Anodyne CCCCCCC[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O ZINC000044247208 EG Annotated Reactive COC(=O)c1ccc(CC2CCC3(CC2)OOCCCOO3)cc1 ZINC000044265243 EG Annotated Reactive COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)C=CC(=O)C3(C)C ZINC000044307534 EG Annotated Mild CC1(C)C[C@H]([C@]23C=C[C@](CO)(CC2)OO3)CC[C@@H]1Br ZINC000044351011 EG Annotated Reactive O=[S@@](Cc1cc(OCC2CC2)ccn1)c1nc2cc(F)ccc2[nH]1 ZINC000004591823 EG Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004598113 EG Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004598114 EG Annotated Anodyne CCO[C@@H](C)n1c([S@@](=O)Cc2ccccn2)nc2ccccc21 ZINC000004626797 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1cc([C@@H]2CCCNC2)c2ccccc21 ZINC000004636349 EG Annotated Anodyne in-vivo COC(=O)C1(OC(=O)c2ccccc2)CC(C)(C)N(C)C(C)(C)C1 ZINC000004655036 EG Annotated Anodyne in-vitro O=C(CC[C@H]1CC(=O)Nc2ccccc21)NCc1ccc(F)cc1 ZINC000004675274 EG Annotated Anodyne CS[P@@]1(=S)N=C(N2CCCCC2)C(C#N)=C2CCCN21 ZINC000004784903 EG Annotated Reactive CS[P@]1(=S)N=C(N2CCCCC2)C(C#N)=C2CCCN21 ZINC000004784905 EG Annotated Reactive C[C@H]1CCC[C@H](NC(=O)COC(=O)/C=C/c2ccc(F)cc2)[C@@H]1C ZINC000004836264 EG Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccc(F)cc2)[C@@H]1C ZINC000004836265 EG Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccc(F)cc2)[C@@H]1C ZINC000004836267 EG Annotated Anodyne O=C(On1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1 ZINC000004837865 EG Annotated Mild O=C(O)C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000004869453 EG Annotated Mild COc1ccc2c(c1)sc(=N)n2CC(=O)Nc1cc(C)cc(C)c1 ZINC000004883496 EG Annotated Anodyne CCOC(=O)CNC(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000004885948 EG Annotated Anodyne O=C(NCc1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 ZINC000004886264 EG Annotated Anodyne COc1ccccc1[C@@H](OC(=O)c1ccco1)C(=O)NC(C)(C)C ZINC000004900372 EG Annotated Anodyne COc1ccccc1[C@H](OC(=O)c1ccco1)C(=O)NC(C)(C)C ZINC000004900387 EG Annotated Anodyne CC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000004921094 EG Annotated Mild C/C(=N\N1C(=O)CSC1=S)c1ccc(Br)cc1 ZINC000004924704 EG Annotated Mild CCC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCC(C)CC1 ZINC000004925299 EG Annotated Anodyne CCC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCC(C)CC1 ZINC000004925304 EG Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@H]1NC(=O)C[C@H]1c1ccccc1 ZINC000004928710 EG Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@@H]1NC(=O)C[C@H]1c1ccccc1 ZINC000004928714 EG Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@H]1NC(=O)C[C@@H]1c1ccccc1 ZINC000004928720 EG Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@@H]1NC(=O)C[C@@H]1c1ccccc1 ZINC000004928724 EG Annotated Anodyne COC(=O)c1ccc([C@H]2NC(=O)c3[nH]nc(-c4ccc(C)cc4)c32)cc1 ZINC000004928984 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2NC(=O)c3[nH]nc(-c4ccc(C)cc4)c32)cc1 ZINC000004928985 EG Annotated Anodyne COc1ccc(CCNC(=O)c2cc3c(s2)CSC3)cc1OC ZINC000004937255 EG Annotated Anodyne Cn1c(C(=O)N2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21 ZINC000004938601 EG Annotated Anodyne CCn1c(=O)c2cc(C(=O)N3CCCC3)sc2c2ccccc21 ZINC000004939004 EG Annotated Anodyne aggregator COc1ccc2cc3c(N)nn(C(=O)c4ccccc4F)c3nc2c1 ZINC000004939888 EG Annotated Anodyne CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2[C@H]1O ZINC000004940066 EG Annotated Anodyne aggregator CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2[C@@H]1O ZINC000004940067 EG Annotated Anodyne aggregator O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCC(O)CC1 ZINC000004959063 EG Annotated Anodyne O=c1[nH][nH]c(-c2ccccc2)c1Cc1c(-c2ccccc2)n[nH]c1O ZINC000004978342 EG Annotated Anodyne CCOC(=O)N/N=C(\C)c1ccc(OC(F)F)cc1OC(F)F ZINC000004979672 EG Annotated Reactive COC(=O)c1cc(C(=O)CN(Cc2ccccc2)C(C)C)ccc1O ZINC000045168308 EG Annotated Anodyne CCC1(CC)NC(N)=NC(=N)N1OCc1ccc(Cl)c(Cl)c1 ZINC000045189603 EG Annotated Anodyne CCCNC(=O)Nc1ccc(N(C)c2ccnc(NC3CC3)n2)cc1 ZINC000045195727 EG Annotated Anodyne Cc1cc(C(=O)Nc2nc(-c3ccccn3)nc3ccsc23)no1 ZINC000045201520 EG Annotated Anodyne Cc1cc(N(C)[C@@H]2CCN(C)C2)nc(Nc2ccc(Cl)cc2)n1 ZINC000045202917 EG Annotated Anodyne Cc1cc(N(C)[C@H]2CCN(C)C2)nc(Nc2ccc(Cl)cc2)n1 ZINC000045202919 EG Annotated Anodyne Cc1ccc2ccccc2c1CCCON1C(=N)NC(=N)NC1(C)C ZINC000045226920 EG Annotated Anodyne Cc1c(-c2ccc3c(c2)C[C@H](C2CC2)C3=O)nnn1-c1cccnc1 ZINC000045245547 EG Annotated Anodyne Cc1c(-c2ccc3c(c2)C[C@@H](C2CC2)C3=O)nnn1-c1cccnc1 ZINC000045245548 EG Annotated Anodyne CCN(CC)C(=O)c1c(NCC(C)C)c2cccnc2n2ccnc12 ZINC000045245890 EG Annotated Anodyne CCC1(CC)C(=O)N(c2ccccc2CSc2nccn2C)C1=O ZINC000045246067 EG Annotated Anodyne O=C(NO)c1cc2ccn(Cc3c(F)ccc(Cl)c3F)c2cn1 ZINC000045252997 EG Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccc(C)cc3)c2)c(O)c1 ZINC000045253184 EG Annotated Anodyne CCC/N=C(\c1ccc(=O)n(CCC)c1)c1ccc(OC)cc1O ZINC000045253383 EG Annotated Mild CCc1nn(CCO)c(CC)c1[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000045254380 EG Annotated Anodyne CCc1nn(CCO)c(CC)c1[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000045254382 EG Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(C3CCCCC3)c2)c(O)c1 ZINC000045254624 EG Annotated Anodyne CCOc1c(Cc2cc(Cl)cc(Cl)c2)c(C)nn1CCO ZINC000045254774 EG Annotated Anodyne COCc1nn(CCO)c(C)c1Cc1cc(Cl)cc(Cl)c1 ZINC000045254780 EG Annotated Anodyne CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCC1 ZINC000045255250 EG Annotated Anodyne CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000045255350 EG Annotated Anodyne CC(=O)N1N=C(Nc2nc3ccc(C)cc3s2)C[C@H]1OC1=CC=C1 ZINC000045255636 EG Annotated Anodyne CC(=O)N1N=C(Nc2nc3ccc(C)cc3s2)C[C@@H]1OC1=CC=C1 ZINC000045255639 EG Annotated Anodyne O=[N+]([O-])c1ccc(O)c(/C=N/CCSCCc2ccccn2)c1 ZINC000045255808 EG Annotated Mild O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1c1nnn[nH]1 ZINC000045255956 EG Annotated Anodyne Cn1cncc1CSCc1ccc(I)cc1 ZINC000045256648 EG Annotated Anodyne Cc1cnc(NC(=O)[C@]2(C)CCCC[C@@H]2C)cc1CN1CCOCC1 ZINC000045257847 EG Annotated Anodyne Cc1cnc(NC(=O)[C@@]2(C)CCCC[C@@H]2C)cc1CN1CCOCC1 ZINC000045257851 EG Annotated Anodyne Cc1cnc(NC(=O)[C@]2(C)CCCC[C@H]2C)cc1CN1CCOCC1 ZINC000045257854 EG Annotated Anodyne Cc1cnc(NC(=O)[C@@]2(C)CCCC[C@H]2C)cc1CN1CCOCC1 ZINC000045257857 EG Annotated Anodyne COc1ccc2c(c[n+](C)c3c4cc(O)c(O)cc4ccc23)c1OC ZINC000045259358 EG Annotated Clean CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1 ZINC000045259583 EG Annotated Anodyne CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCC3 ZINC000045259757 EG Annotated Reactive COc1ccc(C(=O)c2ccc(=O)n(-c3cc(C)ccc3C)c2)c(O)c1 ZINC000045260316 EG Annotated Anodyne O=C(CN(Cc1ccccc1)Cc1ccc2ccccc2c1)OCCO ZINC000045260352 EG Annotated Anodyne Cc1ccc2cc3c(OC(=O)COc4ccccc4)nn(C)c3nc2c1 ZINC000045260398 EG Annotated Anodyne COc1ccc(/C(=N/C(C)C)c2ccc(=O)n(C(C)C)c2)c(O)c1 ZINC000045260423 EG Annotated Mild C[C@@H](CO)c1cc2c(c(O)c1O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 ZINC000045261708 EG Annotated Clean C[C@H](CO)c1cc2c(c(O)c1O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 ZINC000045261713 EG Annotated Clean COc1ccc([C@@H](O)c2ccc3c(ccn3C)c2)c(OC)c1OC ZINC000045287129 EG Annotated Anodyne COc1ccc([C@H](O)c2ccc3c(ccn3C)c2)c(OC)c1OC ZINC000045287130 EG Annotated Anodyne O=C(O)/C=C/C(=O)n1cc(C(=O)Nc2ccccc2)c2ccccc21 ZINC000045287154 EG Annotated Anodyne Cn1cnc(CSCc2ccc(I)cc2)c1 ZINC000045287279 EG Annotated Anodyne Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4F)cc23)n1 ZINC000045288676 EG Annotated Anodyne C[C@@H](CO)c1cc(O)c2c(c1)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]1(O)C2 ZINC000045290367 EG Annotated Anodyne C[C@H](CO)c1cc(O)c2c(c1)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]1(O)C2 ZINC000045290370 EG Annotated Anodyne c1ccc([C@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045290578 EG Annotated Anodyne c1ccc([C@@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)cc1 ZINC000045290581 EG Annotated Anodyne N#Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1 ZINC000045290757 EG Annotated Mild N#Cc1nc2ccc3c(nnn3-c3ccnc4ccccc34)c2s1 ZINC000045291306 EG Annotated Mild N#Cc1ccccc1CN1CCC(Oc2cccc3onc(N)c23)CC1 ZINC000045291383 EG Annotated Mild C/C(=N/NC(=O)c1nc(C(C)C)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000045298440 EG Annotated Reactive N#Cc1nc2ccc3c(nnn3-c3ccc4ccccc4n3)c2s1 ZINC000045298929 EG Annotated Mild N#Cc1nn(-c2ccc(/N=N/c3ccccc3)cc2)c(=N)c(C#N)c1N ZINC000045299076 EG Annotated Mild Cc1c(-c2ccc(C(=O)N(C)C(C)C)cc2)nnn1-c1cccnc1 ZINC000045299718 EG Annotated Anodyne Cc1cn2c(n1)-c1cc(Br)ccc1-n1cnc(C)c1C2 ZINC000045299828 EG Annotated Anodyne CCc1nc2c(o1)C(=O)C(Nc1ccccc1)=C(Br)C2=O ZINC000045299834 EG Annotated Mild O=c1c2c3c(sc2nc2n1CCCCC2)C(Cl)=C(CO)CC3 ZINC000045300191 EG Annotated Anodyne COc1ccc(/C(=N\O)c2ccc3c(ccn3C)c2)c(OC)c1OC ZINC000045300762 EG Annotated Mild CC(C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000045300998 EG Annotated Mild COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(O)c1 ZINC000045301916 EG Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@H]1c1ccc(O)cc1 ZINC000045302109 EG Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@H]1c1ccc(O)cc1 ZINC000045302111 EG Annotated Anodyne Cc1ncn2c1Cn1c(C)cnc1-c1cc(Br)ccc1-2 ZINC000045302430 EG Annotated Anodyne c1ccc(CN2CCc3cc4nccc(N5CCNCC5)c4cc32)cc1 ZINC000045302731 EG Annotated Anodyne N#Cc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1 ZINC000045319546 EG Annotated Mild C[S@@](=O)c1ccc(-c2coc3ccc(-c4nnc(N)o4)cc23)cc1 ZINC000045319633 EG Annotated Anodyne C[S@](=O)c1ccc(-c2coc3ccc(-c4nnc(N)o4)cc23)cc1 ZINC000045319637 EG Annotated Anodyne Cc1cc(N(C)[C@@H]2CCN(C)C2)nc(Nc2ccccc2Cl)n1 ZINC000045321124 EG Annotated Anodyne Cc1cc(N(C)[C@H]2CCN(C)C2)nc(Nc2ccccc2Cl)n1 ZINC000045321127 EG Annotated Anodyne Cc1cc(N2CC[C@H](N(C)C)C2)nc(Nc2ccc(Cl)cc2)n1 ZINC000045323572 EG Annotated Anodyne Cc1cc(N2CC[C@@H](N(C)C)C2)nc(Nc2ccc(Cl)cc2)n1 ZINC000045323575 EG Annotated Anodyne COc1ccc(OC)c2c1C[C@@H]1NC[C@H]2c2c(OC)ccc(OC)c21 ZINC000045324403 EG Annotated Anodyne COc1ccc(OC)c2c1C[C@H]1NC[C@@H]2c2c(OC)ccc(OC)c21 ZINC000045324404 EG Annotated Anodyne O=C1OCc2c1cc1ccc3c(c1c2-c1ccc(O)c(O)c1)OCO3 ZINC000045335494 EG Annotated Clean CC(=O)OCC/C=C1/C=C(c2ccc(Br)cc2)C(=O)O1 ZINC000045335972 EG Annotated Anodyne O=c1[nH]c2ccccc2nc1N/N=C1\CCCC[C@@H]1Br ZINC000045337088 EG Annotated Reactive O=c1[nH]c2ccccc2nc1N/N=C1\CCCC[C@H]1Br ZINC000045337090 EG Annotated Reactive O=c1cc(CSc2ccc([N+](=O)[O-])cn2)c2ccc(O)cc2o1 ZINC000045337163 EG Annotated Bother CN(Cc1ccncc1)[C@@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000045337175 EG Annotated Anodyne CN(Cc1ccncc1)[C@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000045337177 EG Annotated Anodyne O=C(N/C=C/c1ccc(Cl)cc1Cl)N1CCC[C@H](CO)C1 ZINC000045338271 EG Annotated Anodyne O=C(N/C=C/c1ccc(Cl)cc1Cl)N1CCC[C@@H](CO)C1 ZINC000045338273 EG Annotated Anodyne O=C(Nc1ccncc1)C(=O)c1cn(-c2ccncc2)c2ccccc12 ZINC000045339717 EG Annotated Anodyne CCNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12 ZINC000045339983 EG Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)ccc3C[C@H]2OC(C)=O)cc1OC ZINC000045340059 EG Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C[C@@H]2OC(C)=O)cc1OC ZINC000045340081 EG Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C[C@@H]2OC(C)=O)cc1OC ZINC000045340083 EG Annotated Anodyne Cc1nc2cc3c(cc2c(=O)n1/N=C/c1ccc(C(C)C)cc1)OCO3 ZINC000045340255 EG Annotated Mild O=c1[nH]c2ccccc2n(CN(c2ccccc2)c2ccccc2)c1=O ZINC000045347717 EG Annotated Anodyne COc1ccc([C@H]2Oc3cc(O)ccc3C[C@@H]2OC(C)=O)cc1OC ZINC000045348012 EG Annotated Anodyne CC(C)[C@@H](c1ccc(Cl)cc1)S(=O)(=O)/N=c1\[nH]ccs1 ZINC000045348168 EG Annotated Anodyne CC(C)[C@H](c1ccc(Cl)cc1)S(=O)(=O)/N=c1\[nH]ccs1 ZINC000045348171 EG Annotated Anodyne O=C(NCCC/N=C/c1c(O)ccc2ccccc12)c1ccccc1O ZINC000045348377 EG Annotated Mild CC(=O)O[C@@H](C)CCCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21 ZINC000045349123 EG Annotated Anodyne CC(=O)O[C@H](C)CCCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21 ZINC000045349126 EG Annotated Anodyne CC(=O)O[C@@H](C)CCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21 ZINC000045349129 EG Annotated Anodyne CC(=O)O[C@H](C)CCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21 ZINC000045349131 EG Annotated Anodyne O=C(Nc1ccncc1)C(=O)c1cn(-c2cccnc2)c2ccccc12 ZINC000045349164 EG Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1c(F)cc(F)cc1F ZINC000045349321 EG Annotated Bother O=C(/C=C/N1CCC(c2ccc(O)cc2)CC1)c1ccc(O)cc1O ZINC000045349509 EG Annotated Mild CC(=O)OCCCCCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21 ZINC000045350183 EG Annotated Anodyne CC(=O)OCCCCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21 ZINC000045350186 EG Annotated Anodyne O=C1CCCC2=C1[C@@H](c1ccccc1Cl)N=C(c1cnccn1)N2 ZINC000045350189 EG Annotated Mild Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(F)c2)c(=O)n1C ZINC000045352079 EG Annotated Anodyne Cc1ccc2c(c1)c(/C=C1\NC(=O)NC1=O)cn2Cc1ccccc1 ZINC000045354689 EG Annotated Anodyne COC(=O)CCC[n+]1ccc2c(c1)[nH]c1ccc(Br)cc12 ZINC000045354948 EG Annotated Anodyne O=C(O)c1cn(CCc2ccccc2)c2c(F)ccc(F)c2c1=O ZINC000045355579 EG Annotated Anodyne CN(C)C1=NN(c2ccccc2)CN(c2ccccc2Cl)C1=O ZINC000045355637 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@@H]4C[C@@]3(CC[C@H]12)C[C@]4(O)CO ZINC000045356348 EG Annotated Anodyne in-vitro biogenic OCCNCCNc1nc2ccc(F)cc2c2[nH]c3ccccc3c12 ZINC000045357370 EG Annotated Bother O=C(Nc1ccncc1)C(=O)c1cn(-c2ccccn2)c2ccccc12 ZINC000045357712 EG Annotated Anodyne C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@H]1O2 ZINC000045358055 EG Annotated Mild CC[C@@H]1CN([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc21 ZINC000045358961 EG Annotated Anodyne CC[C@H]1CN([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc21 ZINC000045358964 EG Annotated Anodyne CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2cc(Cl)ccc21 ZINC000045365096 EG Annotated Anodyne CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O ZINC000045366667 EG Annotated Anodyne C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@@H]1O2 ZINC000045366820 EG Annotated Mild COc1ccccc1CN1CCc2nc(-c3cnccn3)sc2C1 ZINC000045368017 EG Annotated Anodyne CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C)(C)c2ccccc21 ZINC000045371197 EG Annotated Anodyne CNC[C@@H](O)[C@H](c1cc(F)cc(F)c1)N1CC(C)(C)c2ccccc21 ZINC000045374765 EG Annotated Anodyne CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C)(C)c2ccc(F)cc21 ZINC000045375257 EG Annotated Anodyne C=CCC1=CC2=C(OC)[C@H](C1=O)[C@]2(C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000045385911 EG Annotated Mild CCOc1ccc2nc(NCCNC(=O)c3ccco3)c(C)cc2c1 ZINC000045390226 EG Annotated Anodyne CCN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12 ZINC000045391472 EG Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C[C@H]2OC(C)=O)cc1OC ZINC000045393344 EG Annotated Anodyne CCN(C)CCc1ccc2c(S(=O)(=O)c3ccccc3)c[nH]c2c1 ZINC000045393887 EG Annotated Anodyne CCN(C)CCc1cccc2c(S(=O)(=O)c3ccccc3)c[nH]c12 ZINC000045393899 EG Annotated Anodyne CN(Cc1ccccn1)[C@@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000045394523 EG Annotated Anodyne CN(Cc1ccccn1)[C@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000045394527 EG Annotated Anodyne C=CCS/C=C(/C)n1c(C(=O)c2ccc(Cl)cc2)noc1=O ZINC000045495832 EG Annotated Mild c1cc2c(cc1C[C@@H]1COC[C@@H]1Cc1ccc3c(c1)OCO3)OCO2 ZINC000045496065 EG Annotated Anodyne c1cc2c(cc1C[C@H]1COC[C@@H]1Cc1ccc3c(c1)OCO3)OCO2 ZINC000045496067 EG Annotated Anodyne in-vitro biogenic c1cc2c(cc1C[C@@H]1COC[C@H]1Cc1ccc3c(c1)OCO3)OCO2 ZINC000045496069 EG Annotated Anodyne CCOC(=O)c1c(O[C@@H]2CCCC[C@@H]2Cl)c(CC)c(C)[nH]c1=O ZINC000045496409 EG Annotated Reactive CCOC(=O)c1c(O[C@H]2CCCC[C@@H]2Cl)c(CC)c(C)[nH]c1=O ZINC000045496411 EG Annotated Reactive CCOC(=O)c1c(O[C@@H]2CCCC[C@H]2Cl)c(CC)c(C)[nH]c1=O ZINC000045496413 EG Annotated Reactive CCOC(=O)c1c(O[C@H]2CCCC[C@H]2Cl)c(CC)c(C)[nH]c1=O ZINC000045496415 EG Annotated Reactive Cc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1 ZINC000045497484 EG Annotated Anodyne CCCNc1nc(NCCc2cccs2)ncc1-c1nnc(C)o1 ZINC000045497555 EG Annotated Anodyne NC(=S)Nc1cccc(OCCCCCOc2cccnc2)c1 ZINC000045506541 EG Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O ZINC000045506696 EG Annotated Clean CCOC(=O)c1c(-c2ccccc2)n(O)c2cc(C)c(C)cc2[n+]1=O ZINC000471072562 EG Annotated Anodyne CCOc1ccc2c(c1)n(O)c(-c1ccccc1Cl)c(N)[n+]2=O ZINC000472660142 EG Annotated Anodyne CON=CCCC(F)(F)c1ccc([C@@H](C)[S@](C)(=O)=NC#N)cn1 ZINC000472780969 EG Annotated Mild CON=CCCC(F)(F)c1ccc([C@H](C)[S@@](C)(=O)=NC#N)cn1 ZINC000472781061 EG Annotated Mild CON=CCCC(F)(F)c1ccc([C@@H](C)[S@@](C)(=O)=NC#N)cn1 ZINC000472781065 EG Annotated Mild CON=CCCC(F)(F)c1ccc([C@H](C)[S@](C)(=O)=NC#N)cn1 ZINC000472781072 EG Annotated Mild Cc1ccc(C=NNC(=O)c2cc(Cl)ccc2C(=O)NC(C)C)o1 ZINC000472791553 EG Annotated Reactive CCCCNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccco1 ZINC000472791588 EG Annotated Reactive CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1cccs1 ZINC000472791611 EG Annotated Reactive O=c1c(-c2cccs2)nnc2n1CCN2c1cccc(Cl)c1 ZINC000473081293 EG Annotated Anodyne CCCNCc1ccc(-c2[nH]c3cccc4c(O)n[nH]c(=O)c2c34)cc1 ZINC000473081434 EG Annotated Anodyne CC(C)NCc1ccc(-c2[nH]c3cccc4c(O)n[nH]c(=O)c2c34)cc1 ZINC000473082622 EG Annotated Anodyne O=c1c(-c2cccs2)nnc2n1CCN2c1ccccc1Cl ZINC000473083930 EG Annotated Anodyne CCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000473085458 EG Annotated Clean O=c1c(-c2cccs2)nnc2n1CCN2c1ccc(Cl)cc1 ZINC000473085535 EG Annotated Anodyne Cc1ccn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2n1 ZINC000473086970 EG Annotated Anodyne C=C(C(C)=O)[C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC(=O)[C@]23C)O1 ZINC000473088024 EG Annotated Mild CC(C)C1=CC(=O)[C@@]2(CC1)OC(=O)C[C@@H]1C(C)(C)[C@H](O)CC[C@]12C ZINC000473089062 EG Annotated Mild CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(N)cc3)o2)c1 ZINC000473089065 EG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOCc1ccc(Cl)cc1)CC2 ZINC000473089623 EG Annotated Bother O=C1CN(C(=O)c2cncc(-c3cccc(O)c3)c2)c2ccccc2N1 ZINC000473089712 EG Annotated Anodyne C=C(C(C)=O)[C@@H]1C[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@]3(O)CC[C@@]2(C)O1 ZINC000473089911 EG Annotated Mild C=C(C(C)=O)[C@H]1C[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@]3(O)CC[C@@]2(C)O1 ZINC000473089912 EG Annotated Mild C=C([C@H](C)O)[C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC(=O)[C@]23C)O1 ZINC000473090977 EG Annotated Mild C=C([C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC(=O)[C@]23C)O1)[C@@H](C)O ZINC000473090980 EG Annotated Mild C[C@H]1O[C@]1(C)C(=O)C[C@H]1[C@](C)(O)CC[C@@]2(O)C(C)(C)CCC[C@]12C ZINC000473091559 EG Annotated Anodyne C[C@@H]1O[C@@]1(C)C(=O)C[C@H]1[C@](C)(O)CC[C@@]2(O)C(C)(C)CCC[C@]12C ZINC000473091566 EG Annotated Anodyne O=C1CN(C(=O)c2cncc(-c3ccc(F)cc3)c2)c2ccccc2N1 ZINC000473091876 EG Annotated Anodyne CCc1ccnc(-c2nccn2Cc2nnc(-c3ccccc3N)o2)c1 ZINC000473093306 EG Annotated Anodyne CCCCN1C(=O)/C(=C/NCc2cccnc2)C(=O)c2cccc(C)c21 ZINC000473097918 EG Annotated Mild CCCCN1C(=O)/C(=C/NN2CCCCC2)C(=O)c2cccc(C)c21 ZINC000473109196 EG Annotated Mild CCO[C@H](Cc1nn[nH]n1)c1ccc(OCc2ccccc2C)cc1 ZINC000473109459 EG Annotated Anodyne CCO[C@@H](Cc1nn[nH]n1)c1ccc(OCc2ccccc2C)cc1 ZINC000473109460 EG Annotated Anodyne CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cc(F)cc(F)c2)no1 ZINC000473111399 EG Annotated Mild C=CC(=O)Nc1cccc(-c2cn3c(C(=O)OCC)csc3n2)c1 ZINC000473111861 EG Annotated Anodyne Cc1ccc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)cc1 ZINC000473112604 EG Annotated Anodyne Cc1cc(C)cc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)c1 ZINC000473114618 EG Annotated Anodyne O=C(Nc1ccc(Cc2nnc(O)c3ccccc23)cc1)C(F)(F)F ZINC000473115538 EG Annotated Anodyne O=C(C1CC1)N1CCc2c1ccc1[nH]c(-c3ccccc3)cc(=O)c21 ZINC000473116246 EG Annotated Anodyne N=c1[nH][nH]c(=NCc2c(Cl)cccc2Sc2ccccc2)[nH]1 ZINC000473117959 EG Annotated Anodyne Cc1cc2c(-c3cccnc3C)cnc(NC3CCNCC3)c2nc1O ZINC000473119287 EG Annotated Anodyne CCOC(=O)/C=C/c1cccc(OC(=O)c2nc(C)c(C)nc2C)c1 ZINC000473121194 EG Annotated Anodyne Cc1ccc(-c2cnc(NC3CCNCC3)c3nc(O)c(C)cc23)cn1 ZINC000473121229 EG Annotated Anodyne COc1cc(/C=C/C(=O)O/N=C/c2cccs2)cc2c1OCO2 ZINC000473121252 EG Annotated Mild CCCOc1nc(Cl)c(C)c(=NCc2sc(C)nc2C)[nH]1 ZINC000473121489 EG Annotated Anodyne O=c1c2ccc(F)cc2ncn1CCCCCCBr ZINC000473123189 EG Annotated Reactive Cc1cccc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)c1C ZINC000473123821 EG Annotated Anodyne CC(=O)c1ccc(Nc2nc(=NCCC(C)C)[nH]c3[nH]cnc23)cc1 ZINC000473123960 EG Annotated Anodyne CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000473124085 EG Annotated Anodyne C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)O[C@@H]1O ZINC000473124746 EG Annotated Mild C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)O[C@H]1O ZINC000473124748 EG Annotated Mild Cc1cncc(-c2cnc(NC3CCNCC3)c3nc(O)c(C)cc23)c1 ZINC000473124772 EG Annotated Anodyne CCOC(=O)/C=C/c1ccccc1OC(=O)c1nc(C)c(C)nc1C ZINC000473124792 EG Annotated Anodyne CCOC(=O)/C=C/c1ccc(OC(=O)c2nc(C)c(C)nc2C)cc1 ZINC000473124800 EG Annotated Anodyne Cc1ccncc1-c1cnc(NC2CCNCC2)c2nc(O)c(C)cc12 ZINC000473127453 EG Annotated Anodyne Oc1ccc(-c2nnc(S)n2/N=C/c2ccccc2Cl)cc1 ZINC000473131272 EG Annotated Mild OCc1ccc(-c2cnc3ccc(=NCc4cccc(F)c4)[nH]n23)cc1 ZINC000473132417 EG Annotated Anodyne N#Cc1cccc(-c2cnc3ccc(=NCc4ccccc4)[nH]n23)c1 ZINC000473133395 EG Annotated Mild C=CC[C@@]12C[C@]3(OCOC3=CC1=O)[C@@H](C)[C@@H]2c1ccc2c(c1)OCO2 ZINC000473134468 EG Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)CCCN=[N+]=[N-])cc1OC(C)=O ZINC000473134781 EG Annotated Mild Cc1ccc([C@H]2C3=C(OC[C@@H]2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 ZINC000473137252 EG Annotated Mild Cc1cc(NCc2ncccn2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473153642 EG Annotated Anodyne O=C(NC1CCCCC1)c1c(NO)cc(-c2ccc(F)cc2)oc1=O ZINC000473154226 EG Annotated Anodyne C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(C=O)cc1C2=O ZINC000473154254 EG Annotated Mild O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCO)C2 ZINC000473154571 EG Annotated Bother O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCO)C2 ZINC000473154572 EG Annotated Bother O=C(Nc1ccccc1O)c1c(NO)cc(-c2ccccc2)oc1=O ZINC000473154688 EG Annotated Anodyne N#CCO[C@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 ZINC000473154917 EG Annotated Mild N#CCO[C@@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 ZINC000473154918 EG Annotated Mild C/C1=C/C[C@@H](O)[C@@]2(C)CC[C@@](C(C)C)(C[C@@H](O)[C@]3(C)CC[C@H]1O3)O2 ZINC000473154973 EG Annotated Anodyne O=C(Nc1ccccc1)c1c(NO)cc(-c2cccs2)oc1=O ZINC000473154999 EG Annotated Anodyne Cc1cc(NCc2nccn2C)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473155146 EG Annotated Anodyne C/C1=C\[C@@H](O)C[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1 ZINC000473156105 EG Annotated Anodyne COc1cc(CNC#N)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000473158146 EG Annotated Bother CCOC(=O)[C@@]1(C)[C@H](c2ccc(Cl)cc2)N(C)C(=S)N[C@@H]1C ZINC000473158399 EG Annotated Anodyne CCOC(=O)[C@]1(C)[C@@H](C)NC(=S)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000473158400 EG Annotated Anodyne CCOC(=O)[C@]1(C)[C@H](C)NC(=S)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000473158402 EG Annotated Anodyne CCOC(=O)[C@]1(C)[C@H](C)NC(=S)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000473158404 EG Annotated Anodyne CCCc1cc(O)nc(SSc2nc(O)cc(CCC)n2)n1 ZINC000473167974 EG Annotated Reactive C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@H](C(=O)O)[C@H]1CC2 ZINC000473169794 EG Annotated Bother C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@H](C(=O)O)[C@H]1CC2 ZINC000473169800 EG Annotated Bother C[C@]1(CO)CCC[C@]2(C)c3cc4c(cc3C(=O)C[C@@H]12)C(=O)C=CC4=O ZINC000473169981 EG Annotated Mild O=S(=O)(Nc1ccc(-c2ccncc2)c2cccnc12)C1CC1 ZINC000473170077 EG Annotated Anodyne Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cn1 ZINC000473170719 EG Annotated Anodyne Cc1cc(NCc2ccccn2)n2ncc(-c3cccc(N)c3)c2n1 ZINC000473172873 EG Annotated Anodyne N=C1N[C@@](c2cc(NCC3CCC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000473213473 EG Annotated Anodyne CCCc1cc(=O)n2nc(OCc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473247204 EG Annotated Mild CCCc1cc(=O)n2nc(COc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473247246 EG Annotated Mild O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(O)c(O)c1 ZINC000473247533 EG Annotated Clean N#Cc1ccc(Nc2nccc(=NCc3ccc(F)cc3F)[nH]2)cc1 ZINC000473248098 EG Annotated Mild COc1cccc(CN=c2ccnc(Nc3ccc(C#N)cc3)[nH]2)c1 ZINC000473248657 EG Annotated Mild CCCc1cc(=O)n2nc(CNc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473249338 EG Annotated Mild CCCc1cc(=O)n2nc(CCc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473249360 EG Annotated Mild COC(=O)/C(=C\c1c[nH]c2ccccc12)S(=O)(=O)c1ccccc1 ZINC000473249948 EG Annotated Anodyne COc1cc2c(N3C[C@@H](C)C[C@@H](C)C3)cnnc2c(OC)c1OC ZINC000474603316 EG Annotated Anodyne CNCCN(C)Cc1c[nH]nc1-c1ccc(OC(C)C)c(Cl)c1 ZINC000474609329 EG Annotated Anodyne COc1cc(C(=O)c2cccc3c2ccn3C)c(O)c(OC)c1OC ZINC000474609635 EG Annotated Anodyne CC(C)n1cnc2cc3c(=O)c4ccccc4n(CCN(C)C)c3nc21 ZINC000474609897 EG Annotated Bother COc1cc2c(N3C[C@@H](C)C[C@@H](C)C3)nncc2c(OC)c1OC ZINC000474609985 EG Annotated Anodyne O=c1c2ccccc2n(CCO)c2nc3c(cc12)ncn3C1CCCC1 ZINC000474610050 EG Annotated Bother COc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(OC)c1O ZINC000048877422 EG Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(Cl)c1O ZINC000048877593 EG Annotated Anodyne COc1cc(-c2c(C=O)c(O)cc3cc(OC)c(O)cc23)ccc1O ZINC000049014037 EG Annotated Anodyne COc1cc(-c2cc(C=O)c(O)c3cc(OC)c(O)cc23)ccc1O ZINC000049014105 EG Annotated Anodyne O=C(c1cccc(Cl)c1Cl)N(C1=CCOC=C1)[C@H]1CCNC1 ZINC000049015757 EG Annotated Anodyne O=S(=O)(c1cccc(F)c1)c1cn([C@@H]2CCNC2)c2ccccc12 ZINC000049033417 EG Annotated Anodyne O=S(=O)(c1cccc(F)c1)c1cn([C@H]2CCNC2)c2ccccc12 ZINC000049033419 EG Annotated Anodyne C=CCCC#CC#CC#CCCCCCC[C@@H]1C[C@@H](CO)OC1=O ZINC000049034105 EG Annotated Mild in-vitro biogenic COc1cc(C(C)C)ccc(Cn2cc(Cc3ccccc3)nn2)c1=O ZINC000049035315 EG Annotated Anodyne CN(C)C(=O)Oc1cccc(-c2cn3c(Cl)cccc3[n+]2C)c1 ZINC000049036569 EG Annotated Anodyne CN[C@@H](C)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049036935 EG Annotated Anodyne CN[C@H](C)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049036937 EG Annotated Anodyne CCc1cn(CS(C)(=O)=O)c(CC)c1Oc1ccc(C#N)cc1 ZINC000049037062 EG Annotated Mild CNCC[C@H](C)N1c2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049037124 EG Annotated Anodyne CNCC[C@@H](C)N1c2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049037126 EG Annotated Anodyne CCn1c(C(F)(F)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000049037273 EG Annotated Mild CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccc(O)cc1 ZINC000049048674 EG Annotated Anodyne CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccc(O)cc1 ZINC000049048678 EG Annotated Anodyne Cn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1 ZINC000049052065 EG Annotated Anodyne CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1ccccc1 ZINC000049052333 EG Annotated Bother CNCCC[C@@H]1Cc2ccccc2N(c2ccccc2)S1(=O)=O ZINC000049052361 EG Annotated Anodyne CNCCC[C@H]1Cc2ccccc2N(c2ccccc2)S1(=O)=O ZINC000049052365 EG Annotated Anodyne CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049053521 EG Annotated Anodyne Cc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1 ZINC000049053829 EG Annotated Anodyne C=C(CC/C=C1\C[C@@H](C=C(C)C)OC1=O)[C@H](O)CCC1=CC(=O)OC1 ZINC000049054172 EG Annotated Mild C=C(CC/C=C1\C[C@@H](C=C(C)C)OC1=O)[C@@H](O)CCC1=CC(=O)OC1 ZINC000049054175 EG Annotated Mild C[C@@H](CNC(=O)c1ccccc1O)/N=C/c1c(O)ccc2ccccc12 ZINC000049055453 EG Annotated Mild C[C@H](CNC(=O)c1ccccc1O)/N=C/c1c(O)ccc2ccccc12 ZINC000049055456 EG Annotated Mild COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1 ZINC000049066541 EG Annotated Anodyne CN1CC[C@]2(CCCCCC2=O)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000049066555 EG Annotated Anodyne CN1CC[C@@]2(CCCCCC2=O)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000049066557 EG Annotated Anodyne CO[C@]1(C)OC(=O)C=C1[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 ZINC000049066599 EG Annotated Reactive CCCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049066838 EG Annotated Clean Cc1cc(C)cc(CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1 ZINC000049066988 EG Annotated Anodyne CC(=O)N1CCC[C@@]1(Cc1ccsc1)C(=O)OCc1ccccc1 ZINC000049067595 EG Annotated Anodyne CC(=O)N1CCC[C@]1(Cc1ccsc1)C(=O)OCc1ccccc1 ZINC000049067597 EG Annotated Anodyne NC/C=C\CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000049067615 EG Annotated Anodyne NC/C=C\CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000049067617 EG Annotated Anodyne C#CCn1c(Cc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O ZINC000049068616 EG Annotated Mild OC1([C@H](CN2CCNCC2)c2csc(Cl)c2)CCCCC1 ZINC000049070220 EG Annotated Anodyne OC1([C@@H](CN2CCNCC2)c2csc(Cl)c2)CCCCC1 ZINC000049070223 EG Annotated Anodyne COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc21 ZINC000049071183 EG Annotated Anodyne C/C(=N\NC(=S)Nc1cc(C)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC000049071425 EG Annotated Mild N#Cc1ccc(Nc2nccc(/C(=N\O)c3ccccc3F)n2)cc1 ZINC000049071851 EG Annotated Mild C[C@@H](/C=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(F)cc1 ZINC000049072341 EG Annotated Clean C[C@H](/C=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(F)cc1 ZINC000049072343 EG Annotated Clean CCN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(OC)nc1 ZINC000049072355 EG Annotated Anodyne CN1CCC=C([C@@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1 ZINC000049072574 EG Annotated Anodyne CN1CCC=C([C@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1 ZINC000049072576 EG Annotated Anodyne CNCCC[C@@H]1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O ZINC000049072943 EG Annotated Anodyne CNCCC[C@H]1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O ZINC000049072944 EG Annotated Anodyne OC1([C@H](CN2CCNCC2)c2ccsc2Cl)CCCCC1 ZINC000049087546 EG Annotated Anodyne OC1([C@@H](CN2CCNCC2)c2ccsc2Cl)CCCCC1 ZINC000049087549 EG Annotated Anodyne N#Cc1ccc(NC(=S)N/N=C/c2ccc3ccccc3n2)cc1 ZINC000049088227 EG Annotated Mild Cc1ccccc1[C@@H]1CCc2c(C(N)=O)cc3c(nc(C)n3C)c2O1 ZINC000049088458 EG Annotated Anodyne Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1 ZINC000049089188 EG Annotated Anodyne CC(C)c1csc(-c2nnc(S)n2/N=C/c2ccccc2O)n1 ZINC000049089533 EG Annotated Mild CCN1CCC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049089760 EG Annotated Anodyne CCN1CCC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049089761 EG Annotated Anodyne OC1([C@H](CN2CCNCC2)c2ccc(Cl)s2)CCCCC1 ZINC000049089797 EG Annotated Anodyne OC1([C@@H](CN2CCNCC2)c2ccc(Cl)s2)CCCCC1 ZINC000049089798 EG Annotated Anodyne N#Cc1c(-c2ccco2)cc(-c2c(O)c3ccccc3oc2=O)nc1N ZINC000049089927 EG Annotated Mild CC(C)=C[C@@H]1OC(=O)[C@H](/C=C/C/C(C)=C/CCC2=CC(=O)OC2)[C@@H]1O ZINC000049109681 EG Annotated Anodyne N#Cc1ccc(Nc2nccc(/C(=N\O)c3cccc(F)c3)n2)cc1 ZINC000049110108 EG Annotated Mild CN(C)C(=O)Oc1ccc(-c2cn3c(Cl)cccc3[n+]2C)cc1 ZINC000049111429 EG Annotated Anodyne CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000049111933 EG Annotated Anodyne CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000049111935 EG Annotated Anodyne Nc1ccc2sc(NC(=S)NC(=O)c3cccs3)nc2c1 ZINC000049112025 EG Annotated Anodyne CN(C)/C=C/C(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccccc1 ZINC000049112044 EG Annotated Mild CO[C@@]1(C)OC(=O)C=C1[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 ZINC000049112180 EG Annotated Reactive CC(C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049112311 EG Annotated Clean CCN(C(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(OC)nc1 ZINC000049112590 EG Annotated Anodyne Cc1ccc(C(=O)NC[C@@H](C)/N=C/c2cc(Cl)ccc2O)c(O)c1 ZINC000049112926 EG Annotated Mild Cc1ccc(C(=O)NC[C@H](C)/N=C/c2cc(Cl)ccc2O)c(O)c1 ZINC000049112927 EG Annotated Mild CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1)O2 ZINC000049112931 EG Annotated Anodyne Clc1ccc2oc3c(N4C[C@@H]5CCCN[C@@H]5C4)ncnc3c2c1 ZINC000049112947 EG Annotated Anodyne Clc1ccc2oc3c(N4C[C@H]5NCCC[C@@H]5C4)ncnc3c2c1 ZINC000049112948 EG Annotated Anodyne CCOc1ccc([C@@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 ZINC000049113033 EG Annotated Reactive CCOc1ccc([C@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 ZINC000049113034 EG Annotated Reactive CCOc1ccc([C@@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 ZINC000049113035 EG Annotated Reactive CCOc1ccc([C@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 ZINC000049113036 EG Annotated Reactive CNCCC[C@@H]1Cc2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049113081 EG Annotated Anodyne CNCCC[C@H]1Cc2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049113082 EG Annotated Anodyne NC(N)=NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049113958 EG Annotated Mild NC(N)=NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049113961 EG Annotated Mild CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(N)CCCCC2)CC1 ZINC000049113998 EG Annotated Anodyne Nc1cc(OCCN2c3ccccc3C=Cc3ccccc32)nc(N)n1 ZINC000049114126 EG Annotated Anodyne CCOC(=O)c1cc2c(ccn3cc(C(OCC)OCC)nc23)[nH]1 ZINC000049114642 EG Annotated Anodyne CCn1nc(C#N)c2c(C)n(-c3c(Cl)cccc3Cl)nc2c1=O ZINC000049115124 EG Annotated Mild COc1cc(-n2ncnc2-c2ccc(C)cc2)cc(OC)c1OC ZINC000049115528 EG Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CCC(F)(F)F ZINC000049116279 EG Annotated Anodyne CC(C)=C[C@@H]1OC(=O)/C(=C/CC/C(C)=C/CCC2=CC(=O)OC2)[C@@H]1O ZINC000049124548 EG Annotated Anodyne CC(C)[C@H](N1CCOCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000049125653 EG Annotated Anodyne in-vivo CC(C)[C@@H](N1CCOCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000049125657 EG Annotated Anodyne in-vivo CNC1=Nc2ncccc2C(c2ccns2)=N[C@@H]1c1cccs1 ZINC000049552078 EG Annotated Anodyne CNC1=Nc2ncccc2C(c2ccns2)=N[C@H]1c1cccs1 ZINC000049552079 EG Annotated Anodyne C/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@@H]2OCCCC ZINC000049573648 EG Annotated Mild COc1ccc2c(c1)C(=O)c1nccc3c(O)c(OC)c(OC)c-2c13 ZINC000049583183 EG Annotated Anodyne N#C/C=C1/c2ccccc2N=C(N2CCC(O)CC2)c2ccccc21 ZINC000049649406 EG Annotated Reactive C[C@]1(CC(=O)NCc2ccc(C(=O)O)cc2)CC2(CCCCC2)OO1 ZINC000049709405 EG Annotated Reactive C[C@@]1(CC(=O)NCc2ccc(C(=O)O)cc2)CC2(CCCCC2)OO1 ZINC000049709406 EG Annotated Reactive C=CCNC(=O)c1ccc2c(c1)N=CN(CCOc1ccccc1)C2 ZINC000049710650 EG Annotated Mild C[C@]1(CC(=O)NCc2ccc3c(c2)OCC3)CC2(CCCCC2)OO1 ZINC000049745191 EG Annotated Reactive C[C@@]1(CC(=O)NCc2ccc3c(c2)OCC3)CC2(CCCCC2)OO1 ZINC000049745193 EG Annotated Reactive CC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049762218 EG Annotated Reactive COc1ccc(C2=C(c3ccc(SC)cc3)C(=O)OC2=O)cc1 ZINC000049771486 EG Annotated Reactive COc1cc(-n2ncnc2-c2ccc(F)cc2)cc(OC)c1OC ZINC000049784299 EG Annotated Anodyne COc1cc(-n2ncnc2-c2cccc(F)c2)cc(OC)c1OC ZINC000049784404 EG Annotated Anodyne Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1 ZINC000049784879 EG Annotated Anodyne COc1cc(-c2ncnn2-c2cccc(F)c2)cc(OC)c1OC ZINC000049784886 EG Annotated Anodyne Cc1ccc([C@H]2NC(=N)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000049785373 EG Annotated Anodyne Cc1ccc([C@@H]2NC(=N)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000049785374 EG Annotated Anodyne O=C(NC[C@@H]1CCCNC1)c1ccccc1-c1nc(Cl)cs1 ZINC000049785616 EG Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccccc1-c1nc(Cl)cs1 ZINC000049785617 EG Annotated Anodyne CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@H]1c2ccc(O)cc2OC[C@@H]31 ZINC000049785827 EG Annotated Anodyne in-vivo CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H]1c2ccc(O)cc2OC[C@@H]31 ZINC000049785828 EG Annotated Anodyne in-vivo CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@@H]1c2ccc(O)cc2OC[C@H]31 ZINC000049785829 EG Annotated Anodyne in-vivo CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@@H]1c2ccc(O)cc2OC[C@H]31 ZINC000049785830 EG Annotated Anodyne in-vivo O=C(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3F ZINC000049793833 EG Annotated Reactive CCn1ncc2c(Cl)c(C(=O)NCc3cccc(C)c3)cnc21 ZINC000049793885 EG Annotated Anodyne COc1cccc2cc3c(cc12)[C@]1(C)CC[C@H](O)[C@@H]2COC(=C21)C3=O ZINC000049802924 EG Annotated Mild COc1ccc(COc2ncnc(-c3ccco3)c2[N+](=O)[O-])cc1 ZINC000049803299 EG Annotated Bother COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(N)c3)C[C@H]1C=N2 ZINC000049803529 EG Annotated Anodyne COc1ccc(CN(C)c2ncnc(-c3ccco3)c2[N+](=O)[O-])cc1 ZINC000049803595 EG Annotated Bother COc1cc2c(cc1OC)C(=O)N1C=C(c3ccncc3)C[C@H]1C=N2 ZINC000049803736 EG Annotated Anodyne OCCOc1ncc(/C=C\c2ccc(O)cc2)cc1Br ZINC000049803787 EG Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(N)cc3)C[C@H]1C=N2 ZINC000049807887 EG Annotated Anodyne COc1ccc(CNc2nc(F)nc(-c3ccco3)c2NC=O)cc1 ZINC000049808043 EG Annotated Anodyne COc1ccc(CNc2nc(C)nc(-c3ccco3)c2NC=O)cc1 ZINC000049808158 EG Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3cccnc3)C[C@H]1C=N2 ZINC000049808578 EG Annotated Anodyne NCCc1c2c(c3nccc4c5ccccc5[nH]c1c34)NC(=O)CS2 ZINC000049820575 EG Annotated Bother F[C@@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832252 EG Annotated Anodyne F[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832255 EG Annotated Anodyne F[C@@H]1CCN[C@@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832257 EG Annotated Anodyne F[C@@H]1CCN[C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832259 EG Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C=C[C@@]3(O)C(C)(C)CCC[C@]23C)C1=O ZINC000049872404 EG Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C=C[C@]3(O)C(C)(C)CCC[C@]23C)C1=O ZINC000049872405 EG Annotated Mild Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@@H]2c2ccccc2)c1 ZINC000000551046 EG Annotated Reactive Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@H]2c2ccccc2)c1 ZINC000000551047 EG Annotated Reactive COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763075 EG Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763076 EG Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000763141 EG Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000763142 EG Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000763143 EG Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000763144 EG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1 ZINC000000767690 EG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N(C)C ZINC000000771534 EG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N(C)C ZINC000000771536 EG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N(C)C ZINC000000771723 EG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N(C)C ZINC000000771725 EG Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773601 EG Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773602 EG Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775187 EG Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775188 EG Annotated Anodyne CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000775584 EG Annotated Anodyne CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000775585 EG Annotated Anodyne CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000775586 EG Annotated Anodyne CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000775587 EG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccoc1 ZINC000000775764 EG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccoc1 ZINC000000775765 EG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccoc1 ZINC000000775766 EG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccoc1 ZINC000000775767 EG Annotated Anodyne CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC ZINC000000775792 EG Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC ZINC000000775793 EG Annotated Anodyne CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1 ZINC000000775814 EG Annotated Anodyne CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccsc1 ZINC000000775871 EG Annotated Anodyne COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2C)c1OC ZINC000000775881 EG Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2C)cc(OC)c1 ZINC000000775883 EG Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000000896026 EG Annotated Mild in-man COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O ZINC000000897714 EG Annotated Anodyne in-man metabolite Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000000900926 EG Annotated Bother in-vitro biogenic CCc1nn2c(NCCCO)cc(C)nc2c1-c1ccc(F)cc1 ZINC000005000323 EG Annotated Anodyne CCCN1Cc2cccc(C(=O)NCCc3cccc(C)c3)c2C1=O ZINC000005005850 EG Annotated Anodyne Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)sc2n1 ZINC000005036184 EG Annotated Anodyne Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)sc2n1 ZINC000005036187 EG Annotated Anodyne Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCC(C)C)o2)cc1 ZINC000005042486 EG Annotated Anodyne O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21 ZINC000005055199 EG Annotated Anodyne CC1=C(C(=O)N(C)Cc2ccccc2)C2(CCC(C)CC2)OC1=O ZINC000005058801 EG Annotated Anodyne C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000005070898 EG Annotated Mild CCc1cccc(NC(=O)Cn2c(C(=O)OC)cc3occc32)c1 ZINC000005084466 EG Annotated Anodyne aggregator COC(=O)c1cc2occc2n1CC(=O)Nc1cccc(SC)c1 ZINC000005084472 EG Annotated Anodyne aggregator CC[C@@H](C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000005085611 EG Annotated Anodyne CC[C@H](C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000005085625 EG Annotated Anodyne N/C(Cc1cccc2ccccc12)=N\OC(=O)COc1ccccc1 ZINC000005092237 EG Annotated Mild CCCc1n[nH]c2c1[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 ZINC000005095133 EG Annotated Reactive CCCc1n[nH]c2c1[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 ZINC000005095134 EG Annotated Reactive COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000005113562 EG Annotated Anodyne COc1ccc(NCC(=O)N/N=C(\C)c2cc3ccccc3o2)cc1 ZINC000005119798 EG Annotated Reactive CCN1CCN(c2cc(SC)nc(-c3ccc(OC)cc3)n2)CC1 ZINC000005126526 EG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2 ZINC000005134285 EG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2 ZINC000005134317 EG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2 ZINC000005134340 EG Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2 ZINC000005134361 EG Annotated Anodyne Cn1c(C(=O)NCc2ccccc2Br)cc2occc21 ZINC000005135173 EG Annotated Anodyne CCOC(=O)c1cc(Br)c(N)c(CN(CC)CC)c1 ZINC000005139356 EG Annotated Anodyne O=C(Cn1cc2c(n1)CCCCC2)Nc1c(F)c(F)cc(F)c1F ZINC000005148826 EG Annotated Anodyne Cc1cnc(NC[C@@H](C)CN(C)C)c2c3cc(O)ccc3n(C)c12 ZINC000005161434 EG Annotated Anodyne Cc1cnc(NC[C@H](C)CN(C)C)c2c3cc(O)ccc3n(C)c12 ZINC000005161436 EG Annotated Anodyne C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)s1 ZINC000005164208 EG Annotated Reactive C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)s1 ZINC000005164210 EG Annotated Reactive C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2o1 ZINC000005164233 EG Annotated Reactive C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cc2ccccc2o1 ZINC000005164235 EG Annotated Reactive C/C(=N\NC(=O)COc1ccccc1F)c1cc2ccccc2o1 ZINC000005164463 EG Annotated Reactive O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccco1 ZINC000005169711 EG Annotated Anodyne COc1ccc(OC)c(/N=C2\SCC(=O)N2Cc2ccccc2)c1 ZINC000005171448 EG Annotated Mild O=C(OCc1nc2ccsc2c(=O)[nH]1)c1ccc(Cl)s1 ZINC000005172865 EG Annotated Anodyne C[C@H](NC(=O)c1cccnc1)c1cc2c(cc1Cl)OCCCO2 ZINC000005175788 EG Annotated Anodyne C[C@@H](NC(=O)c1cccnc1)c1cc2c(cc1Cl)OCCCO2 ZINC000005175789 EG Annotated Anodyne COC(=O)C1CCN(c2csc3ccc(Cl)cc3c2=O)CC1 ZINC000005202480 EG Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C21CC1 ZINC000005205474 EG Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C21CC1 ZINC000005205477 EG Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000005369090 EG Annotated Anodyne C[C@H]1C[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000005369093 EG Annotated Anodyne in-vitro biogenic COc1c2ccoc2nc2c(OC)c(OC/C=C(\C)CO)ccc12 ZINC000005380776 EG Annotated Anodyne CC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1[N+](=O)[O-] ZINC000005382952 EG Annotated Mild CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O ZINC000005395843 EG Annotated Mild CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COC(=O)C3=CC[C@H]12 ZINC000005439422 EG Annotated Reactive COc1cc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1 ZINC000005446103 EG Annotated Anodyne N#C/C(=N\Nc1cccc2ccccc12)c1nnc2n1CCCCC2 ZINC000005447048 EG Annotated Mild COC(=O)C1=CO[C@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12 ZINC000005487275 EG Annotated Anodyne CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2c3ccccc3C[C@@H]12 ZINC000005499729 EG Annotated Bother CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2c3ccccc3C[C@@H]12 ZINC000005499738 EG Annotated Bother CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2c3ccccc3C[C@H]12 ZINC000005499745 EG Annotated Bother CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2c3ccccc3C[C@H]12 ZINC000005499752 EG Annotated Bother CCO[C@]12SC(Nc3ccc(C)cc3)=NN1C(=S)N(C)N=C2C ZINC000005499853 EG Annotated Anodyne CCO[C@@]12SC(Nc3ccc(C)cc3)=NN1C(=S)N(C)N=C2C ZINC000005499861 EG Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCc1ccoc1 ZINC000523041435 EG Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@H](CO)[C@H]3O ZINC000523041493 EG Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1[C@]2(CC3=CCC[C@H](C)[C@]31C)C(=O)O[C@@H]1O[C@@]12C ZINC000523041728 EG Annotated Anodyne biogenic C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000523041739 EG Annotated Mild CC(C)=CCC(=O)/C(C)=C/CC[C@]1(CO)O[C@@H]1CC/C(C)=C\CO ZINC000523042414 EG Annotated Mild CC(C)=CCC(=O)/C(C)=C/CC[C@@]1(CO)O[C@H]1CC/C(C)=C\CO ZINC000523042415 EG Annotated Mild CC(C)=CCC(=O)/C(C)=C/CC[C@@]1(CO)O[C@@H]1CC/C(C)=C\CO ZINC000523042416 EG Annotated Mild C[C@@]1(C(=O)O)CCC[C@@]2(C)C3=C[C@@H](O)[C@@H]4C[C@@]3(CC[C@H]12)C[C@]41CO1 ZINC000525915056 EG Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@H](CO)[C@H]3O ZINC000525915155 EG Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@H](CO)[C@@H]3O ZINC000525915156 EG Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@H](CO)[C@@H]3O ZINC000525915157 EG Annotated Anodyne CC(C)=CCC/C(=C\CC/C(=C/CC/C(=C\CO)CO)CO)CO ZINC000525915242 EG Annotated Anodyne C/C(=C/CC/C(=C/CC/C(C)=C/CC/C(=C\CO)CO)CO)CO ZINC000525915274 EG Annotated Anodyne CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@H](C)C(=O)C3(C)C ZINC000053186831 EG Annotated Anodyne CC(C)OC(=O)N/N=c1\sc2cc(OC(F)(F)F)ccc2n1C ZINC000053193464 EG Annotated Reactive C=C1C[C@@]2(C(=O)Nc3ccc(Br)cc3)C=CC(=O)[C@@H]1C2 ZINC000053229662 EG Annotated Mild O=C(c1c2c(c3ccccn13)C(=O)N(c1ccccc1)C2=O)C1CC1 ZINC000053229932 EG Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c2cc(C)ccn2c1C(=O)C1CC1 ZINC000053230929 EG Annotated Anodyne COC(=O)c1cc(C(=O)C2CC2)n2c(C)ccc(Br)c12 ZINC000053242702 EG Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12 ZINC000053293968 EG Annotated Anodyne CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[C@H](N(C)C)C1 ZINC000053295506 EG Annotated Mild O=C(NCc1ccccc1O)c1cc(C(=O)c2ccccc2F)c[nH]1 ZINC000053295894 EG Annotated Clean CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(C(C)C)CC2)O1 ZINC000053297650 EG Annotated Anodyne COc1cc(OC)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O ZINC000053312708 EG Annotated Mild CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[C@@H](N(C)C)C1 ZINC000053312949 EG Annotated Mild OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@H](O)CCC2 ZINC000053313775 EG Annotated Anodyne OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@@H](O)CCC2 ZINC000053313779 EG Annotated Anodyne CC[C@@]12C=C(C(=O)OC)N3c4ccccc4[C@@H]4CCN(CCC1)[C@@H]2[C@H]43 ZINC000005500000 EG Annotated Anodyne N#Cc1c(N2CC[C@H](O)C2)c2ccccc2n2c1nc1ccccc12 ZINC000005543722 EG Annotated Mild CCOC(=O)c1c[nH]c2c(Sc3ccccc3)nccc2c1=O ZINC000005544004 EG Annotated Anodyne COc1ccccc1OCCN1C(=O)S/C(=C\c2ccco2)C1=O ZINC000005559191 EG Annotated Anodyne COc1cccc(/C=N/C[C@@H](C)/N=C/c2cccc(OC)c2O)c1O ZINC000005560077 EG Annotated Mild CCO[C@H]1O[C@@H]2CC=C3CCN(C)[C@H]3[C@@H]2c2cc(OC)c(OC)cc21 ZINC000005576093 EG Annotated Anodyne CN1C(=O)[C@H]2c3c([nH]c4ccccc34)[C@H]3Nc4ccccc4[C@H]3[C@H]2C1=O ZINC000005581712 EG Annotated Anodyne C/C(Cc1ccc2c(c1)OCO2)=N\N=c1\sc2ccccc2n1C ZINC000005596281 EG Annotated Mild CC#Cc1c(C#CC)c(OC)c2c(c1OC)C(=O)c1ccccc1C2=O ZINC000005601280 EG Annotated Mild CO[C@H]1[C@@H](OC(=S)Nc2ccccc2)c2ccccc2N1C(C)=O ZINC000005602192 EG Annotated Anodyne CO[C@H]1[C@H](OC(=S)Nc2ccccc2)c2ccccc2N1C(C)=O ZINC000005602197 EG Annotated Anodyne Cc1[nH]nc2c1C1(C(C#N)=C(N)O2)c2ccccc2-c2ccccc21 ZINC000005634715 EG Annotated Reactive CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2N ZINC000005649041 EG Annotated Clean in-man CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cc(O)ccc1N ZINC000005658835 EG Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cc(O)ccc1N ZINC000005658842 EG Annotated Anodyne COC(=O)[C@H](CC(=O)c1ccccc1)c1ccccc1NC(C)=O ZINC000005663705 EG Annotated Anodyne CCc1nnc(/N=C/c2c(C)nn(-c3ccc(F)cc3)c2O)s1 ZINC000005686841 EG Annotated Mild COC1(OC)CCCC[C@@H]2c3cccc(OC(C)=O)c3[C@]21OC(C)=O ZINC000005712435 EG Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000005730149 EG Annotated Bother Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000005730152 EG Annotated Bother Cc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000005730541 EG Annotated Bother Cc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000005730544 EG Annotated Bother Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2scc(-c3ccccc3)n12 ZINC000005731528 EG Annotated Mild CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32 ZINC000005733911 EG Annotated Clean Cc1ccc(NC(=O)/C=N/OCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000005752649 EG Annotated Mild C=CC(C)(C)c1c(O)c(/C=C/C(=O)O)c(O)c2c1OC(C)(C)CC2=O ZINC000005762112 EG Annotated Mild C/C(=C\CC[C@H](C)C1=CC[C@@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@H]3O)CO ZINC000005762711 EG Annotated Mild C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O ZINC000005763827 EG Annotated Anodyne CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)[C@@]3(O)C(=O)C(O)=C(C)C(=O)[C@]123 ZINC000005800965 EG Annotated Mild CCOC(=O)c1cccc(/N=N/c2ncc(/C=C/C(=O)OC)[nH]2)c1 ZINC000005801089 EG Annotated Clean CCOC(=O)c1cccc(/N=N/c2nc[nH]c2/C=C/C(=O)OC)c1 ZINC000005801091 EG Annotated Clean Cc1nnc2n1N=C(c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CS2 ZINC000005807972 EG Annotated Bother COc1ccc([C@H]2Cc3cc(OC)c(OC)c(OC)c3C2=O)cc1 ZINC000005808616 EG Annotated Anodyne C[C@H]1CC[C@]23COC(=O)[C@@H]2[C@H](O)CC[C@@H]3[C@]1(C)C[C@H](O)c1ccoc1 ZINC000005808750 EG Annotated Anodyne O=C1C2=C(c3ccccc31)[C@H](c1ccccc1)N1C(=O)CSC1=N2 ZINC000005809392 EG Annotated Mild C=C1C(=O)[C@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@@]1(O)C3 ZINC000005810065 EG Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H]2C[C@@H]3CC4(CC[C@@H]3CN12)OCCO4 ZINC000005810173 EG Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H]2C[C@H]3CC4(CC[C@@H]3CN12)OCCO4 ZINC000005810178 EG Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O ZINC000005811786 EG Annotated Mild Cc1ccc2c(c1)[nH]c(=S)n2CNc1ccc(C(=O)O)c(O)c1 ZINC000005813015 EG Annotated Anodyne O=C1c2cc(Cl)ccc2N=C(NC2CCCC2)[C@H]2CSCN12 ZINC000005822915 EG Annotated Anodyne C[C@]12OC[C@H](c3ccccc3)N1C(=O)[C@@H]1[C@H]2CC12SCCS2 ZINC000005823170 EG Annotated Anodyne Cc1ccccc1NC(=O)CSCc1nc2ccsc2c(=O)[nH]1 ZINC000005827036 EG Annotated Anodyne CC(=O)O[C@H]1C/C(C)=C\CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000005831742 EG Annotated Anodyne CC(C)(C)Nc1cc2c(cc1N)c(=O)c(C(=O)O)cn2C(C)(C)C ZINC000005833879 EG Annotated Anodyne O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl ZINC000005838458 EG Annotated Reactive O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl ZINC000005838466 EG Annotated Reactive CC(=O)N1N=C(c2c(O)ccc3ccccc23)C[C@H]1C(=O)c1ccco1 ZINC000005838539 EG Annotated Clean CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@H]1C(=O)c1ccco1 ZINC000005838582 EG Annotated Clean CN(CC(=O)O)c1ncc2c(n1)-c1ccccc1O[C@@H]2c1ccccc1 ZINC000005839181 EG Annotated Anodyne C[C@@H]1[C@H](O)CC2=C(CC[C@@H](O)C2(C)C)[C@@]1(CO)CCc1ccoc1 ZINC000005839650 EG Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(N)cc3)nc21 ZINC000005841870 EG Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cccc(N)c3)nc21 ZINC000005841917 EG Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccccn3)nc21 ZINC000005841959 EG Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cncs3)nc21 ZINC000005842019 EG Annotated Anodyne COc1ccccc1/C=C1\C(=O)N(C(=O)Cc2ccccc2)N=C1C ZINC000005842876 EG Annotated Clean COc1cccc(/C=C2\C(=O)N(C(=O)Cc3ccccc3)N=C2C)c1 ZINC000005842879 EG Annotated Clean CCOC(=O)[C@H](C)c1nc2cc3cccnc3c(Cl)c2nc1O ZINC000005844403 EG Annotated Bother CCc1cc(CCCN2C(=O)c3ccccc3C2=O)c(OC)nc1C ZINC000005847571 EG Annotated Anodyne COC(OC)c1cccc2c1C(=O)CC[C@@]1(O)c3ccccc3[C@@H]1C2 ZINC000005847709 EG Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 ZINC000005849321 EG Annotated Mild CN1C(=O)c2cccnc2N(C2CC2)c2nc(-c3ccncc3)ccc21 ZINC000005851658 EG Annotated Anodyne C=CCN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cscc21 ZINC000005852497 EG Annotated Mild COc1cc([S@@](=O)c2cccc(N)c2C#N)cc(C(F)(F)F)c1 ZINC000005853302 EG Annotated Mild COc1cc([S@](=O)c2cccc(N)c2C#N)cc(C(F)(F)F)c1 ZINC000005853310 EG Annotated Mild COc1ccc2c(c1)[C@@](C#Cc1ccccn1)(C(F)(F)F)NC(=O)N2 ZINC000005854504 EG Annotated Mild COc1ccc2c(c1)[C@](C#Cc1ccccn1)(C(F)(F)F)NC(=O)N2 ZINC000005854509 EG Annotated Mild CC(=O)N1N=C(c2c(O)ccc3ccccc23)C[C@@H]1C(=O)c1ccco1 ZINC000005855418 EG Annotated Clean CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1C(=O)c1ccco1 ZINC000005855429 EG Annotated Clean CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000005857687 EG Annotated Clean CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000005857734 EG Annotated Clean CC(=O)O[C@H]1[C@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000005858237 EG Annotated Clean CC(=O)O[C@H]1[C@@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000005858283 EG Annotated Clean C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(O)c(O)c1 ZINC000005861808 EG Annotated Mild C/C(=N\NC(=O)C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000005862936 EG Annotated Reactive C=CCN1C(=O)C(c2c(O)n(CCCC)c3ccccc23)=NC1=S ZINC000005869764 EG Annotated Anodyne CCc1c(C)[nH]c(=O)c(N2CCOCC2)c1Cc1cc(C)cc(C)c1 ZINC000005886219 EG Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)CCOC)c1Cc1cccc(C)c1 ZINC000005886429 EG Annotated Anodyne in-vivo C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1CCC(=O)N2 ZINC000005890148 EG Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CC/C=C(\C)CCC[C@H](C)[C@H]2O ZINC000005922176 EG Annotated Mild CC(=O)[C@H]1[C@@H](OCc2ccccc2)O[N+]([O-])=C(C)[C@@H]1c1ccccc1 ZINC000005923764 EG Annotated Anodyne C[C@H](N[C@H]1CCC[C@]1(O)C#Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000005924632 EG Annotated Mild C[C@@H](NC(=O)N1C(=O)C[C@H]1SCc1ccncc1)c1ccccc1 ZINC000005929928 EG Annotated Anodyne C[C@@H](NC(=O)N1C(=O)C[C@@H]1SCc1ccncc1)c1ccccc1 ZINC000005929934 EG Annotated Anodyne Cc1cc(C)cc(Cc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c1 ZINC000005930678 EG Annotated Mild Cc1cc2c(cc1C)N(C)S(=O)(=O)c1cccnc1N2C(C)C ZINC000005930813 EG Annotated Anodyne OCCOCn1c(Br)nc2c(Cl)cc(Cl)cc21 ZINC000005932744 EG Annotated Anodyne OCCOCn1c(Br)nc2cc(Cl)c(Cl)cc21 ZINC000005932801 EG Annotated Anodyne OCCOCn1c(Br)nc2c(Cl)c(Cl)ccc21 ZINC000005932933 EG Annotated Anodyne O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)c2scnc21 ZINC000005933372 EG Annotated Mild N#Cc1ccc(Nc2nc(N)nc(Cc3ccccc3Cl)n2)cc1 ZINC000005933917 EG Annotated Mild O=C1Nc2ccc(F)cc2[C@](C#Cc2ccccn2)(C(F)(F)F)N1 ZINC000005940552 EG Annotated Mild O=C1Nc2ccc(F)cc2[C@@](C#Cc2ccccn2)(C(F)(F)F)N1 ZINC000005940574 EG Annotated Mild Cc1cc(O)c(C2=NCCS[C@H](c3ccc(F)cc3)C2)c(=O)o1 ZINC000005956907 EG Annotated Anodyne Cc1cc(O)c(C2=NCCS[C@@H](c3ccc(F)cc3)C2)c(=O)o1 ZINC000005956919 EG Annotated Anodyne CC(C)C#C[C@@]1(C(C)C)NS(=O)(=O)Nc2ccc(Cl)cc21 ZINC000005962450 EG Annotated Mild CC(C)C#C[C@]1(C(C)C)NS(=O)(=O)Nc2ccc(Cl)cc21 ZINC000005962457 EG Annotated Mild CC1(C)CN(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)C=N1 ZINC000005963658 EG Annotated Anodyne CC1(C)CN(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)C=N1 ZINC000005963659 EG Annotated Anodyne CC1=NCCN1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000005964568 EG Annotated Anodyne CC1=NCCN1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000005964569 EG Annotated Anodyne CCCCOn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000005973732 EG Annotated Anodyne Nc1nc(N)c2c(n1)CC[C@@H](CNc1cc(Cl)ccc1Cl)C2 ZINC000005973980 EG Annotated Anodyne Oc1nc(SCc2ccc(F)cc2C(F)(F)F)c2ncnc-2[nH]1 ZINC000005973985 EG Annotated Anodyne CCCc1ncc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)cn1 ZINC000055211475 EG Annotated Anodyne CCCc1ncc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)cn1 ZINC000055211476 EG Annotated Anodyne Cc1ncc(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000055382895 EG Annotated Anodyne Cc1ncc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000055382899 EG Annotated Anodyne C[C@@H]1CN(c2ccccc2)CCN1Cc1nc(Cc2ccccc2)no1 ZINC000055569075 EG Annotated Anodyne C[C@H]1CN(c2ccccc2)CCN1Cc1nc(Cc2ccccc2)no1 ZINC000055569076 EG Annotated Anodyne CC(C)(C)n1nnnc1CN(Cc1ccc(F)cc1)Cc1ccco1 ZINC000056686523 EG Annotated Anodyne COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@H]3CCCN32)cc1 ZINC000057011016 EG Annotated Anodyne COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)[C@H]3CCCN23)cc1 ZINC000057011017 EG Annotated Anodyne C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc[nH]1 ZINC000057453997 EG Annotated Reactive CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1 ZINC000057669677 EG Annotated Anodyne CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1 ZINC000057669678 EG Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CCCCCC1 ZINC000057710767 EG Annotated Mild CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCCCCC1 ZINC000057710768 EG Annotated Mild COc1cccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(F)cc2)c1 ZINC000058046104 EG Annotated Anodyne COc1cccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(F)cc2)c1 ZINC000058046106 EG Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccccc2F)cc1 ZINC000058046200 EG Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccccc2F)cc1 ZINC000058046201 EG Annotated Anodyne CCOc1ccccc1[C@H]1N(c2nccs2)C(=O)[C@H]2CCCN21 ZINC000058047265 EG Annotated Anodyne CCOc1ccccc1[C@@H]1N(c2nccs2)C(=O)[C@H]2CCCN12 ZINC000058047270 EG Annotated Anodyne CN(C)c1ccc([C@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN32)cc1 ZINC000058047317 EG Annotated Clean CN(C)c1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN23)cc1 ZINC000058047324 EG Annotated Clean COc1ccc([C@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN32)cc1 ZINC000058047368 EG Annotated Anodyne COc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN23)cc1 ZINC000058047369 EG Annotated Anodyne COc1ccccc1[C@H]1N(c2ccc(F)cc2)C(=O)[C@H]2CCCN21 ZINC000058047370 EG Annotated Anodyne COc1ccccc1[C@@H]1N(c2ccc(F)cc2)C(=O)[C@H]2CCCN12 ZINC000058047371 EG Annotated Anodyne COc1ccc(COC[C@H](O)C/N=C(\O)CC2CCCCC2)cc1 ZINC000058363825 EG Annotated Mild COc1ccc(COC[C@@H](O)C/N=C(\O)CC2CCCCC2)cc1 ZINC000058363828 EG Annotated Mild Cc1ccc(C2=C(CCC(=O)O)[C@@H](c3ccco3)NC(=S)N2)cc1 ZINC000058487766 EG Annotated Anodyne O=C(O)CCC1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccco1 ZINC000058493982 EG Annotated Anodyne C=C(C(=O)c1c(OC)cc2c(c1OC)OCO2)c1ccccc1O ZINC000584879798 EG Annotated Mild Cc1ccc([C@@H](C)N=c2c(C(N)=O)c[nH]c3ccc(C#N)cc23)cc1 ZINC000584904638 EG Annotated Mild C/C=C/Cn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O ZINC000584904833 EG Annotated Anodyne O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1O ZINC000584904869 EG Annotated Clean N=c1[nH][nH]c2ccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cc12 ZINC000584904889 EG Annotated Anodyne Cc1cc(-c2nc(O)c3c4c(sc3n2)CN(C)CC4)cc(C)c1O ZINC000584905153 EG Annotated Anodyne CCN(Cc1cc(=O)n2c3c(sc2n1)CCC3)c1ccc(F)cc1 ZINC000584905278 EG Annotated Anodyne O=C(c1cccc(-c2cccc(O)c2F)n1)c1cccc(O)c1O ZINC000584905288 EG Annotated Clean C=CCCn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O ZINC000584905321 EG Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](C)(O)C3 ZINC000584905379 EG Annotated Anodyne O=S1(=O)C=C(c2ccc(O)cc2F)C(c2ccc(O)cc2F)=C1 ZINC000584905413 EG Annotated Anodyne N#Cc1c(-c2cccs2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000058512584 EG Annotated Mild N#Cc1c(Nc2ccc(Cl)cc2)c(F)c2nc(N)nc(N)c2c1F ZINC000058538056 EG Annotated Mild O=C(O)COCCOCCOc1cc(Cl)c(Cl)cc1Cl ZINC000058538078 EG Annotated Anodyne C#CCn1c2ccccc2c2cc(C(=O)N3CCSCC3)nc(C)c21 ZINC000058538262 EG Annotated Mild O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@H]1[N+](=O)[O-] ZINC000058539473 EG Annotated Bother O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@H]1Br ZINC000058539486 EG Annotated Anodyne CCCCNc1c(C#N)c(NCCCC)c2c(N)nc(N)nc2c1F ZINC000058541621 EG Annotated Mild CC(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1 ZINC000058541803 EG Annotated Anodyne C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@@H]12)O[C@@]1(C)OC[C@H](C)[C@@H]1C4 ZINC000058547887 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CC[C@@H]21)CC3=O ZINC000058563981 EG Annotated Anodyne CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C ZINC000058566733 EG Annotated Anodyne Cn1c(=O)oc2cc(-c3coc(=O)n3-c3ccc(Cl)cc3)ccc21 ZINC000058575378 EG Annotated Anodyne CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)C ZINC000058575503 EG Annotated Anodyne NC(=S)Nc1ccc2c(c1)C(=O)c1cc(Br)ccc1-2 ZINC000058576346 EG Annotated Anodyne O/N=C(/c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(F)ccc1O ZINC000058581021 EG Annotated Mild Cc1ccc(/C(=N\O)c2cnn(-c3ccc(F)c(F)c3)c2)c(O)c1 ZINC000058581723 EG Annotated Mild Cn1c(=O)oc2cc(C3=C(c4ccc(Cl)cc4)C(=O)OC3)ccc21 ZINC000058582881 EG Annotated Anodyne N#Cc1c(Nc2ccccc2)c(Cl)c2nc(N)nc(N)c2c1F ZINC000058583326 EG Annotated Mild Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccccc1[N+](=O)[O-])O2 ZINC000058583740 EG Annotated Bother O=C(O)CCC1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccco1 ZINC000058594507 EG Annotated Anodyne Nc1ccc(C(=O)NCc2ccc(Oc3ccccc3)s2)c(N)n1 ZINC000058602887 EG Annotated Anodyne CCCCCC#C/C=C\C#CC[C@@H]1O[C@](C)(OC)[C@@](C)(OC)OC1=O ZINC000058603373 EG Annotated Mild CN(Cc1ccccc1)c1nnc(N(C)c2ccc(Cl)cc2)nn1 ZINC000058603805 EG Annotated Anodyne NC(=O)c1c(F)c(F)c2nc3ccc(Cl)cc3c(O)c2c1F ZINC000058608297 EG Annotated Bother O=C(O)c1cc(Br)ccc1N[C@H]1CCC[C@@H](C(=O)O)C1 ZINC000058626893 EG Annotated Anodyne Fc1ccc(Oc2ncc3c(NC4CCOCC4)n[nH]c3n2)c(F)c1 ZINC000058631439 EG Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1CCN(C(=O)C2(c3ccccn3)CC2)C1 ZINC000058631570 EG Annotated Anodyne O[C@H]1Cc2c(ccc3c4ccccc4c4ccccc4c23)[C@H](O)[C@H]1O ZINC000058639136 EG Annotated Bother COc1nn(C)c(=O)n1-c1cccc2ccc(C#CC(C)(C)C)cc12 ZINC000058650913 EG Annotated Mild CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H]1O4 ZINC000058689376 EG Annotated Reactive O=C1CCC(c2ccccc2)(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 ZINC000586877434 EG Annotated Bother COC(=O)c1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cn1 ZINC000586877726 EG Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586877950 EG Annotated Bother COC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2n1 ZINC000586877970 EG Annotated Anodyne C#CCC1(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CCCCC1 ZINC000586878152 EG Annotated Mild O=C(O)c1ccccc1/C=C/c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586878440 EG Annotated Bother O=C(O)c1ccccc1/C=C\c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586878441 EG Annotated Bother C#CCC1(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CCCCC1 ZINC000586878448 EG Annotated Mild O=C(O)/C=C/c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586878751 EG Annotated Bother O=C(O)/C=C\c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586878757 EG Annotated Bother O=C(O)/C=C\c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586879168 EG Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586879176 EG Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586879282 EG Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586879284 EG Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586879851 EG Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586879854 EG Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncnc(N)c3[nH]2)cc1 ZINC000586880070 EG Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586880205 EG Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586880218 EG Annotated Anodyne O=C(O)c1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1F ZINC000586880873 EG Annotated Anodyne O=C(O)c1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1F ZINC000586880874 EG Annotated Anodyne C#Cc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586880958 EG Annotated Mild C#Cc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586881129 EG Annotated Mild Cc1cc(-c2nc3nc(=N)[nH]cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586881210 EG Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)cc1 ZINC000586881218 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 ZINC000586881221 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 ZINC000586881226 EG Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586881400 EG Annotated Bother CC(=O)c1ccc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cc1 ZINC000586881463 EG Annotated Anodyne Cc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586881591 EG Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)cc1 ZINC000586881615 EG Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586881633 EG Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586881636 EG Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(N)ncnc3[nH]2)c1 ZINC000586881638 EG Annotated Anodyne O=C1CCc2cc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3cc2N1 ZINC000586881848 EG Annotated Anodyne O=C1CCc2cc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3cc2N1 ZINC000586881853 EG Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586882121 EG Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586882182 EG Annotated Mild CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586882408 EG Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586882487 EG Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586882523 EG Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)c1 ZINC000586882602 EG Annotated Anodyne O=C1CCC[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)CC1 ZINC000586883369 EG Annotated Anodyne O=C1CCC[C@H](c2nc3c(F)cnc(Br)c3[nH]2)CC1 ZINC000586883375 EG Annotated Anodyne Cc1ccc2ccccc2c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586883602 EG Annotated Anodyne Brc1c[nH]c2nc([C@H]3C[C@@]34CCc3ccccc34)nc-2n1 ZINC000586883661 EG Annotated Anodyne Clc1ncc(I)c2nc(C3CCC3)[nH]c12 ZINC000586883662 EG Annotated Anodyne Brc1c[nH]c2nc([C@H]3C[C@]34CCc3ccccc34)nc-2n1 ZINC000586883670 EG Annotated Anodyne Brc1c[nH]c2nc([C@@H]3C[C@@]34CCc3ccccc34)nc-2n1 ZINC000586883674 EG Annotated Anodyne Brc1c[nH]c2nc([C@@H]3C[C@]34CCc3ccccc34)nc-2n1 ZINC000586883678 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586884440 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586884441 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)C2 ZINC000586884451 EG Annotated Bother O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)C2 ZINC000586884467 EG Annotated Bother O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)cnc3[nH]1)C2 ZINC000586884750 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)cnc3[nH]1)C2 ZINC000586884751 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Br)ccnc3[nH]1)C2 ZINC000586886175 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Br)ccnc3[nH]1)C2 ZINC000586886177 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)ncc3[nH]1)C2 ZINC000586886337 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)ncc3[nH]1)C2 ZINC000586886339 EG Annotated Anodyne C[C@@H](O)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586886374 EG Annotated Anodyne C[C@H](O)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586886383 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586886392 EG Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586886405 EG Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586886407 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586886410 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Br)nc3[nH]1)C2 ZINC000586886461 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Br)nc3[nH]1)C2 ZINC000586886465 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cncc(Br)c3[nH]1)C2 ZINC000586886722 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cncc(Br)c3[nH]1)C2 ZINC000586886724 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586886813 EG Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586886824 EG Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586886827 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586886830 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586886892 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586886896 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586886899 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586886902 EG Annotated Anodyne CC[C@@]1(C)C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586887008 EG Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586887022 EG Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586887025 EG Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586887028 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccnc(Br)c3[nH]1)C2 ZINC000586887420 EG Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccnc(Br)c3[nH]1)C2 ZINC000586887422 EG Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cccc(I)c2[nH]1 ZINC000586887450 EG Annotated Anodyne CC(C)[C@](C)(O)c1nc2cccc(I)c2[nH]1 ZINC000586887459 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586887841 EG Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586887850 EG Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586887851 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586887853 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@]45CCc4ccccc45)nc3cc2N1 ZINC000586888037 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@@]45CCc4ccccc45)nc3cc2N1 ZINC000586888041 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4C[C@]45CCc4ccccc45)nc3cc2N1 ZINC000586888044 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4C[C@@]45CCc4ccccc45)nc3cc2N1 ZINC000586888046 EG Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586888047 EG Annotated Bother CC(C)[C@](C)(O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586888054 EG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@]3(C)CC)[nH]c2c1 ZINC000586888912 EG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@]3(C)CC)[nH]c2c1 ZINC000586888916 EG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@]3(C)CC)[nH]c2c1 ZINC000586888917 EG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@]3(C)CC)[nH]c2c1 ZINC000586888919 EG Annotated Anodyne C[C@@H](O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586889239 EG Annotated Anodyne C[C@H](O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586889249 EG Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](O)c3cccc(O)c3)[nH]c12 ZINC000586889464 EG Annotated Anodyne Cc1cc(Br)cc2nc([C@H](O)c3cccc(O)c3)[nH]c12 ZINC000586889475 EG Annotated Anodyne CC(C)COc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br ZINC000586889602 EG Annotated Anodyne CC(C)COc1cc2nc(C[C@H](C)O)[nH]c2cc1Br ZINC000586889619 EG Annotated Anodyne Cc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br ZINC000586889792 EG Annotated Anodyne Cc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br ZINC000586889793 EG Annotated Anodyne CC(C)[C@](C)(O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586889942 EG Annotated Clean CC(C)[C@@](C)(O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586889945 EG Annotated Clean CC(C)[C@@](C)(O)c1nc2ccc(I)cc2[nH]1 ZINC000586889956 EG Annotated Anodyne CC(C)[C@](C)(O)c1nc2ccc(I)cc2[nH]1 ZINC000586889958 EG Annotated Anodyne Oc1cccc([C@@H](O)c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000586890335 EG Annotated Anodyne Oc1cccc([C@H](O)c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000586890355 EG Annotated Anodyne N#Cc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1C(F)(F)F ZINC000586890412 EG Annotated Mild N#Cc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1C(F)(F)F ZINC000586890415 EG Annotated Mild Cc1c(Br)ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c12 ZINC000586890578 EG Annotated Anodyne Cc1c(Br)ccc2nc([C@H](O)c3cccc(O)c3)[nH]c12 ZINC000586890580 EG Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586890641 EG Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586890642 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586891112 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586891113 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586891114 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586891115 EG Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](C)O)[nH]c3c2)cc1 ZINC000586891124 EG Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](C)O)[nH]c3c2)cc1 ZINC000586891128 EG Annotated Anodyne C[C@@H](O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586891303 EG Annotated Anodyne C[C@H](O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586891305 EG Annotated Anodyne CCCCOc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br ZINC000586891481 EG Annotated Anodyne CCCCOc1cc2nc(C[C@H](C)O)[nH]c2cc1Br ZINC000586891482 EG Annotated Anodyne CC(C)[C@@](C)(O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586891654 EG Annotated Bother CC(C)[C@](C)(O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586891655 EG Annotated Bother Sc1nc(S)c2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2n1 ZINC000586891661 EG Annotated Anodyne Sc1nc(S)c2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2n1 ZINC000586891676 EG Annotated Anodyne Sc1nc(S)c2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2n1 ZINC000586891677 EG Annotated Anodyne Sc1nc(S)c2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2n1 ZINC000586891678 EG Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586891744 EG Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586891745 EG Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](O)c4cccc(O)c4)[nH]c3c2)cc1N ZINC000586891985 EG Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)cc1N ZINC000586891990 EG Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586892025 EG Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586892026 EG Annotated Anodyne Oc1cccc([C@@H](O)c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586892027 EG Annotated Anodyne Oc1cccc([C@H](O)c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586892028 EG Annotated Anodyne C[C@@H](O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586892604 EG Annotated Anodyne C[C@H](O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586892605 EG Annotated Anodyne C[C@@H](O)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586892765 EG Annotated Anodyne C[C@H](O)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586892766 EG Annotated Anodyne COC(=O)c1cc2nc(C[C@H](C)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586893141 EG Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](C)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586893143 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586893543 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586893544 EG Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586893545 EG Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586893546 EG Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586893613 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586893625 EG Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586893627 EG Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586893629 EG Annotated Anodyne Oc1cccc([C@H](O)c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586893716 EG Annotated Bother Oc1cccc([C@@H](O)c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586893721 EG Annotated Bother Oc1cccc([C@H](O)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000586894059 EG Annotated Bother Oc1cccc([C@@H](O)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000586894060 EG Annotated Bother Cc1cc(Br)c2[nH]c([C@@H](O)c3cccc(O)c3)nc2c1 ZINC000586894094 EG Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](O)c3cccc(O)c3)nc2c1 ZINC000586894095 EG Annotated Anodyne OCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586894363 EG Annotated Anodyne N#Cc1nc2nc(CCCCCCCCCCCO)[nH]c2nc1C#N ZINC000586894454 EG Annotated Mild N=c1[nH]c2nc(CCCCCCCCCCCO)nc-2c(Cl)[nH]1 ZINC000586894568 EG Annotated Anodyne CC(C)CCOc1cc2nc(CCO)[nH]c2cc1Br ZINC000586894578 EG Annotated Anodyne CCCCCOc1cc2nc(CCO)[nH]c2cc1Br ZINC000586894901 EG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(CO)c3)[nH]c12 ZINC000586894956 EG Annotated Bother OCCCCCCCCCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000586895024 EG Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(CO)c3)[nH]c12 ZINC000586895142 EG Annotated Bother OCC12CCC(c3nc4cc(Br)cnc4[nH]3)(CC1)CC2 ZINC000586895318 EG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cccc(CO)c3)[nH]c12 ZINC000586895361 EG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc(CO)c3)nc2c1 ZINC000586895376 EG Annotated Mild OCc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586895387 EG Annotated Anodyne OCC12CCC(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)(CC1)CC2 ZINC000586895470 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586895553 EG Annotated Anodyne OCC12CCC(c3nc4cc5c(cc4[nH]3)OCCCO5)(CC1)CC2 ZINC000586895594 EG Annotated Anodyne OCC12CCC(c3nc4ccc(Br)nc4[nH]3)(CC1)CC2 ZINC000586895602 EG Annotated Anodyne OCC12CCC(c3nc4ccnc(Br)c4[nH]3)(CC1)CC2 ZINC000586895618 EG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(CO)cc3)nc12 ZINC000586895629 EG Annotated Bother OCC12CCC(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)(CC1)CC2 ZINC000586895661 EG Annotated Anodyne CCOC(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586895666 EG Annotated Anodyne OCC12CCC(c3nc4c(Br)ccnc4[nH]3)(CC1)CC2 ZINC000586895723 EG Annotated Anodyne OCC12CCC(c3nc4cc(Br)ncc4[nH]3)(CC1)CC2 ZINC000586895726 EG Annotated Anodyne OCc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000586895728 EG Annotated Anodyne OCC12CCC(c3nc4cncc(Br)c4[nH]3)(CC1)CC2 ZINC000586895739 EG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CC[C@H](O)CC3)[nH]c21 ZINC000586896006 EG Annotated Clean COC(=O)c1ccnc2[nH]c(CCCCc3cccc(O)c3)nc12 ZINC000586896027 EG Annotated Anodyne O=C1COc2cc3[nH]c(CCCCc4cccc(O)c4)nc3cc2N1 ZINC000586896065 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCc3cccc(O)c3)nc2c1 ZINC000586896327 EG Annotated Anodyne COC(=O)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1OC ZINC000586896343 EG Annotated Anodyne COC(=O)c1cc2[nH]c(C3(c4ccccc4O)CC3)nc2cc1OC ZINC000586896371 EG Annotated Anodyne Oc1cccc(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586896402 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1[N+](=O)[O-] ZINC000586896406 EG Annotated Bother Oc1cccc(CCCCc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586896604 EG Annotated Anodyne Oc1cccc(CCCCc2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586896615 EG Annotated Anodyne Oc1cccc(CCc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586896686 EG Annotated Anodyne COC(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2n1 ZINC000586896765 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 ZINC000586896923 EG Annotated Anodyne CC(C)c1cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c(O)c(C(C)C)c1 ZINC000586896944 EG Annotated Anodyne CC(C)c1cc(-c2nc3c(O)nc(O)nc3[nH]2)c(O)c(C(C)C)c1 ZINC000586897038 EG Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cc1 ZINC000586897621 EG Annotated Anodyne Oc1c(-c2nc3c(S)nc(S)nc3[nH]2)ccc2c1CCCC2 ZINC000586897787 EG Annotated Anodyne N#Cc1nc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2nc1C#N ZINC000586898030 EG Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3CC[C@H](O)CC3)[nH]c12 ZINC000586898086 EG Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3CC[C@H](O)CC3)[nH]c12 ZINC000586898131 EG Annotated Bother Oc1c(-c2nc3nc(Br)c[nH]c-3n2)ccc2c1CCCC2 ZINC000586898201 EG Annotated Anodyne COC(=O)c1cc2[nH]c(C3(c4ccc(O)cc4)CC3)nc2cc1OC ZINC000586898324 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 ZINC000586898331 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1[N+](=O)[O-] ZINC000586898340 EG Annotated Bother N=c1[nH]c2nc(-c3ccccc3-c3ccc(O)cc3)nc-2c(Cl)[nH]1 ZINC000586898383 EG Annotated Anodyne COC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1OC ZINC000586898788 EG Annotated Anodyne N=c1[nH]c2nc(-c3cccc(-c4ccc(O)cc4)c3)nc-2c(Cl)[nH]1 ZINC000586898793 EG Annotated Anodyne N#Cc1nc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2nc1C#N ZINC000586898957 EG Annotated Mild O=C1COc2cc3[nH]c(-c4ccc5c(c4O)CCCC5)nc3cc2N1 ZINC000586898970 EG Annotated Anodyne Oc1ccc(-c2ccccc2-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586899076 EG Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cccc(I)c3[nH]2)CC1 ZINC000586899201 EG Annotated Anodyne O[C@H]1CC[C@@H](c2nc3ccc(I)cc3[nH]2)CC1 ZINC000586899495 EG Annotated Anodyne Oc1ccc(C2(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CC2)cc1 ZINC000586899496 EG Annotated Anodyne O[C@H]1CC[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586899675 EG Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3CC[C@H](O)CC3)[nH]c12 ZINC000586899877 EG Annotated Anodyne O=C1CCc2cc3nc(C45CCC(CO)(CC4)CC5)[nH]c3cc2N1 ZINC000586899931 EG Annotated Anodyne O[C@H]1CC[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000586899970 EG Annotated Anodyne N=c1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c[nH]1 ZINC000586900067 EG Annotated Anodyne Nc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1N ZINC000586900073 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 ZINC000586900084 EG Annotated Anodyne CC(C)C[C@H](O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586900158 EG Annotated Clean O[C@H]1C[C@H](c2nc3cncc(Br)c3[nH]2)c2ccccc21 ZINC000586900252 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3cncc(Br)c3[nH]2)c2ccccc21 ZINC000586900254 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3cncc(Br)c3[nH]2)c2ccccc21 ZINC000586900256 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cncc(Br)c3[nH]2)c2ccccc21 ZINC000586900257 EG Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccnc(O)c3[nH]2)cc1 ZINC000586900400 EG Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586900540 EG Annotated Anodyne CC(C)C[C@H](O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586900687 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2n1 ZINC000586900710 EG Annotated Mild CC(C)C[C@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586900721 EG Annotated Bother O[C@H]1C[C@H](c2nc3cc(Br)ncc3[nH]2)c2ccccc21 ZINC000586900811 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(Br)ncc3[nH]2)c2ccccc21 ZINC000586900812 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(Br)ncc3[nH]2)c2ccccc21 ZINC000586900814 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(Br)ncc3[nH]2)c2ccccc21 ZINC000586900816 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21 ZINC000586900866 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21 ZINC000586900867 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21 ZINC000586900869 EG Annotated Anodyne O[C@H]1C[C@H](c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21 ZINC000586900870 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 ZINC000586901224 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3c(Br)ccnc3[nH]2)c2ccccc21 ZINC000586901268 EG Annotated Anodyne O[C@H]1C[C@H](c2nc3c(Br)ccnc3[nH]2)c2ccccc21 ZINC000586901271 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3c(Br)ccnc3[nH]2)c2ccccc21 ZINC000586901273 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3c(Br)ccnc3[nH]2)c2ccccc21 ZINC000586901275 EG Annotated Anodyne CC(C)C[C@H](O)c1nc2ccc(I)cc2[nH]1 ZINC000586901483 EG Annotated Anodyne CC(C)C[C@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586901603 EG Annotated Bother CC(C)(CO)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586902054 EG Annotated Anodyne CC(C)C[C@H](O)c1nc2cccc(I)c2[nH]1 ZINC000586902070 EG Annotated Anodyne N=c1[nH]c2nc(-c3coc(C#Cc4ccccc4)c3)nc-2c(Cl)[nH]1 ZINC000586902222 EG Annotated Mild CC1=C(c2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)NNC(=O)C1 ZINC000586902246 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12 ZINC000586902268 EG Annotated Mild CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586902346 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586902348 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586902350 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586902352 EG Annotated Anodyne Cc1oc2c(c1-c1nc3cc(C(=O)O)c(F)cc3[nH]1)C(=O)CCC2 ZINC000586902445 EG Annotated Anodyne Cc1oc2c(c1-c1nc3c(S)nc(S)nc3[nH]1)C(=O)CCC2 ZINC000586902971 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3ccc(Br)nc3[nH]2)c2ccccc21 ZINC000586903079 EG Annotated Anodyne O[C@H]1C[C@H](c2nc3ccc(Br)nc3[nH]2)c2ccccc21 ZINC000586903080 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3ccc(Br)nc3[nH]2)c2ccccc21 ZINC000586903081 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3ccc(Br)nc3[nH]2)c2ccccc21 ZINC000586903082 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3ccnc(Br)c3[nH]2)c2ccccc21 ZINC000586903094 EG Annotated Anodyne O[C@H]1C[C@H](c2nc3ccnc(Br)c3[nH]2)c2ccccc21 ZINC000586903095 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3ccnc(Br)c3[nH]2)c2ccccc21 ZINC000586903096 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3ccnc(Br)c3[nH]2)c2ccccc21 ZINC000586903097 EG Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)oc2c1[C@H](O)CCC2 ZINC000586903305 EG Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)oc2c1[C@@H](O)CCC2 ZINC000586903310 EG Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)oc12 ZINC000586903325 EG Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4nc(Cl)ncc4[nH]3)oc12 ZINC000586903358 EG Annotated Anodyne CCOCc1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)o1 ZINC000586903398 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12 ZINC000586903411 EG Annotated Mild Cc1oc2c(c1-c1nc3cc(F)cc(C(=O)O)c3[nH]1)C(=O)CCC2 ZINC000586903659 EG Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4ncnc(Cl)c4[nH]3)oc12 ZINC000586903718 EG Annotated Anodyne CCOCc1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)o1 ZINC000586903740 EG Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(Br)cnc3[nH]2)c2ccccc21 ZINC000586903871 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(Br)cnc3[nH]2)c2ccccc21 ZINC000586903872 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(Br)cnc3[nH]2)c2ccccc21 ZINC000586903873 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(Br)cnc3[nH]2)c2ccccc21 ZINC000586903874 EG Annotated Anodyne Cc1oc2c(c1-c1nc3nc(Br)c[nH]c-3n1)C(=O)CCC2 ZINC000586903904 EG Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586903929 EG Annotated Anodyne CCOCc1ccc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)o1 ZINC000586903969 EG Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586903976 EG Annotated Anodyne Cc1oc2c(c1-c1nc3cnc(C(F)(F)F)[nH]c-3n1)C(=O)CCC2 ZINC000586903997 EG Annotated Anodyne CCOCc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)o1 ZINC000586904051 EG Annotated Bother COc1ccc(C=O)c2cc(-c3nc4cc(CCO)ccc4[nH]3)oc12 ZINC000586904133 EG Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4nc(Cl)c[nH]c-4n3)oc12 ZINC000586904177 EG Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)oc12 ZINC000586904248 EG Annotated Bother COc1ccc(C=O)c2cc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)oc12 ZINC000586904605 EG Annotated Bother Cc1c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)oc2c1[C@@H](O)CCC2 ZINC000586904635 EG Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)oc2c1[C@H](O)CCC2 ZINC000586904637 EG Annotated Anodyne Cc1oc2c(c1-c1nc3ccc(C(=O)N(C)C)cc3[nH]1)C(=O)CCC2 ZINC000586904650 EG Annotated Anodyne CC1=C(c2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)NNC(=O)C1 ZINC000586904797 EG Annotated Anodyne Cc1c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586904859 EG Annotated Anodyne Cc1c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586904861 EG Annotated Anodyne Cc1c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586904863 EG Annotated Anodyne Cc1c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586904865 EG Annotated Anodyne O[C@H]1C[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21 ZINC000586905019 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21 ZINC000586905022 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21 ZINC000586905023 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21 ZINC000586905024 EG Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21 ZINC000586905193 EG Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21 ZINC000586905194 EG Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21 ZINC000586905195 EG Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21 ZINC000586905196 EG Annotated Anodyne Cc1c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905371 EG Annotated Anodyne Cc1c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905372 EG Annotated Anodyne Cc1c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905449 EG Annotated Mild Cc1c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905450 EG Annotated Mild Cc1c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905534 EG Annotated Anodyne Cc1c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905535 EG Annotated Anodyne Cc1c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905584 EG Annotated Anodyne Cc1c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905585 EG Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4nc(C#N)c(C#N)[nH]c-4n3)cc2)o1 ZINC000586905629 EG Annotated Mild Oc1nc(NCc2ccccc2)c2nc(-c3occ4c3CCC4)nc-2[nH]1 ZINC000586905642 EG Annotated Anodyne Cc1c(-c2nc3nc(Br)c[nH]c-3n2)oc2c1[C@H](O)CCC2 ZINC000586905706 EG Annotated Anodyne Cc1c(-c2nc3nc(Br)c[nH]c-3n2)oc2c1[C@@H](O)CCC2 ZINC000586905707 EG Annotated Anodyne O=C1CCc2cc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3cc2N1 ZINC000586905776 EG Annotated Anodyne O=C1CCc2cc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3cc2N1 ZINC000586905777 EG Annotated Anodyne O=C1O/C(=C\c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc21 ZINC000586905933 EG Annotated Anodyne O=C1O/C(=C/c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc21 ZINC000586905934 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586906003 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586906004 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586906169 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586906170 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 ZINC000586906282 EG Annotated Mild N#Cc1nc(Cl)cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 ZINC000586906283 EG Annotated Mild O=C1c2ccoc2CC[C@@H]1Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586906317 EG Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586906324 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 ZINC000586906408 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 ZINC000586906411 EG Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586906653 EG Annotated Bother O=C1c2ccoc2CC[C@H]1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586906656 EG Annotated Bother CC1(C)OC(=O)C[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586906660 EG Annotated Mild CC1(C)OC(=O)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586906667 EG Annotated Mild CCOC(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 ZINC000586906742 EG Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 ZINC000586906743 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586906763 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586906764 EG Annotated Anodyne O=C(O)c1cc(F)cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 ZINC000586906825 EG Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)ccc21 ZINC000586906911 EG Annotated Reactive O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)ncc2[nH]1 ZINC000586906928 EG Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)ncc2[nH]1 ZINC000586906931 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586906944 EG Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1 ZINC000586906945 EG Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 ZINC000586906947 EG Annotated Anodyne O=C1CCc2cc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3cc2N1 ZINC000586906995 EG Annotated Anodyne O=C1CCc2cc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3cc2N1 ZINC000586906998 EG Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)ccc21 ZINC000586907026 EG Annotated Reactive O=C1c2ccoc2CC[C@@H]1Cc1nc2cncc(Br)c2[nH]1 ZINC000586907034 EG Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cncc(Br)c2[nH]1 ZINC000586907036 EG Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc21 ZINC000586907047 EG Annotated Reactive Oc1cccc2c1OCC(c1nc3nc(C(F)(F)F)ncc3[nH]1)=C2 ZINC000586907056 EG Annotated Anodyne Sc1nc(S)c2nc(CCc3cc4ccccc4o3)[nH]c2n1 ZINC000586907089 EG Annotated Anodyne COc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1OC ZINC000586907101 EG Annotated Anodyne COc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1OC ZINC000586907102 EG Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c32)n1 ZINC000586907178 EG Annotated Reactive CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586907179 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586907180 EG Annotated Anodyne Oc1cccc2c1OCC(c1nc3ncc(Br)cc3[nH]1)=C2 ZINC000586907351 EG Annotated Anodyne c1ccc2oc(CCc3nc4ccc(-n5cnnn5)cc4[nH]3)cc2c1 ZINC000586907450 EG Annotated Anodyne Oc1cccc2c1OCC(c1nc3nc(Br)ccc3[nH]1)=C2 ZINC000586907543 EG Annotated Anodyne O=C(O)c1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1F ZINC000586907550 EG Annotated Anodyne Cc1cc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2cc1[N+](=O)[O-] ZINC000586907558 EG Annotated Bother Cc1cc2[nH]c(C[C@H]3CCc4occc4C3=O)nc2cc1[N+](=O)[O-] ZINC000586907563 EG Annotated Bother Oc1cccc2c1OCC(c1nc3cnc(Br)cc3[nH]1)=C2 ZINC000586907620 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586907670 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586907671 EG Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccnc(Br)c2[nH]1 ZINC000586907687 EG Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccnc(Br)c2[nH]1 ZINC000586907688 EG Annotated Anodyne O=C1O/C(=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c2ccccc21 ZINC000586907786 EG Annotated Bother O=C1O/C(=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c2ccccc21 ZINC000586907787 EG Annotated Bother Oc1cccc2c1OCC(c1nc3cc4c(cc3[nH]1)OCCCO4)=C2 ZINC000586907948 EG Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cccc(Br)c4[nH]3)ccc21 ZINC000586908072 EG Annotated Reactive O=C1OC(=O)c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)ccc21 ZINC000586908103 EG Annotated Reactive CC1(C)OC(=O)C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586908131 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586908133 EG Annotated Anodyne O=C1CCc2cc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3cc2N1 ZINC000586908184 EG Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)cnc2[nH]1 ZINC000586908188 EG Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)cnc2[nH]1 ZINC000586908189 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586908195 EG Annotated Bother O=[N+]([O-])c1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1F ZINC000586908198 EG Annotated Bother CC1(C)OC(=O)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586908199 EG Annotated Bother O=C1OC(=O)c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)ccc21 ZINC000586908208 EG Annotated Reactive O=C1c2ccoc2CC[C@@H]1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586908244 EG Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586908262 EG Annotated Anodyne CC(C)Oc1cc2nc(CC3OCCO3)[nH]c2cc1Br ZINC000586908370 EG Annotated Anodyne Oc1nccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586908632 EG Annotated Mild Oc1nccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586908634 EG Annotated Mild N=c1[nH]ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586908648 EG Annotated Mild N=c1[nH]ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586908650 EG Annotated Mild O=C1COc2cc3[nH]c(CCc4cc5ccccc5o4)nc3cc2N1 ZINC000586908760 EG Annotated Anodyne Oc1cccc2c1OCC(c1nc3nccc(Br)c3[nH]1)=C2 ZINC000586908898 EG Annotated Anodyne Nc1ccnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586909001 EG Annotated Mild Nc1ccnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586909002 EG Annotated Mild CCOC(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586909115 EG Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586909124 EG Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)ccc21 ZINC000586909129 EG Annotated Reactive O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Br)ccnc2[nH]1 ZINC000586909298 EG Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2c(Br)ccnc2[nH]1 ZINC000586909300 EG Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(Br)nccc3[nH]1)=C2 ZINC000586909368 EG Annotated Anodyne CCCOc1cc2nc(CC3OCCO3)[nH]c2cc1Br ZINC000586909399 EG Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(Br)cncc3[nH]1)=C2 ZINC000586909507 EG Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)nc2[nH]1 ZINC000586909582 EG Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)nc2[nH]1 ZINC000586909583 EG Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)ccc21 ZINC000586909652 EG Annotated Reactive FC(F)(F)Oc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Cl ZINC000586909667 EG Annotated Anodyne FC(F)(F)Oc1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Cl ZINC000586909676 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586910018 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586910019 EG Annotated Anodyne C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cnncc2[nH]1 ZINC000586910182 EG Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cnncc2[nH]1 ZINC000586910183 EG Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cncnc2[nH]1 ZINC000586910243 EG Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cncnc2[nH]1 ZINC000586910244 EG Annotated Mild CC1(C)OC(=O)C[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586910442 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586910443 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586910724 EG Annotated Bother CC1(C)OC(=O)C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586910726 EG Annotated Bother N=c1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c[nH]1 ZINC000586911219 EG Annotated Mild N=c1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c[nH]1 ZINC000586911220 EG Annotated Mild O=C(O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586911909 EG Annotated Anodyne CC1(C)COc2c(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cccc21 ZINC000586911987 EG Annotated Anodyne Oc1ccc(C2(c3nc4cc(Cl)cnc4[nH]3)CCOCC2)cc1 ZINC000586912075 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586912118 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586912119 EG Annotated Anodyne O[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C1CCOCC1 ZINC000586912175 EG Annotated Anodyne O[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C1CCOCC1 ZINC000586912176 EG Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586912238 EG Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586912239 EG Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](O)C3CCOCC3)nc2c1 ZINC000586912260 EG Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](O)C3CCOCC3)nc2c1 ZINC000586912266 EG Annotated Anodyne Cc1c(Br)ccc2nc([C@H](O)C3CCOCC3)[nH]c12 ZINC000586912380 EG Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](O)C3CCOCC3)[nH]c12 ZINC000586912383 EG Annotated Anodyne O[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)C1CCOCC1 ZINC000586912394 EG Annotated Anodyne O[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)C1CCOCC1 ZINC000586912397 EG Annotated Anodyne CC1(C)COc2c(-c3nc4nc(Br)c[nH]c-4n3)cccc21 ZINC000586912478 EG Annotated Anodyne CC1(C)COc2c(-c3nc4c(S)nc(S)nc4[nH]3)cccc21 ZINC000586912890 EG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCOC3)nc2c1 ZINC000586913008 EG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCOC3)nc2c1 ZINC000586913009 EG Annotated Anodyne Oc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCO5)CCOCC2)cc1 ZINC000586913115 EG Annotated Anodyne Oc1ccc(C2(c3nc4cncc(Cl)c4[nH]3)CCOCC2)cc1 ZINC000586913156 EG Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H](O)C4CCOCC4)[nH]c3c2)cc1 ZINC000586913196 EG Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H](O)C4CCOCC4)[nH]c3c2)cc1 ZINC000586913197 EG Annotated Clean Cc1c(Br)cc2nc([C@@H](O)C3CCOCC3)[nH]c2c1C ZINC000586913268 EG Annotated Anodyne Cc1c(Br)cc2nc([C@H](O)C3CCOCC3)[nH]c2c1C ZINC000586913274 EG Annotated Anodyne O[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCOCC1 ZINC000586913474 EG Annotated Anodyne O[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCOCC1 ZINC000586913476 EG Annotated Anodyne Oc1ccc(C2(c3nc4ccc(Cl)nc4[nH]3)CCOCC2)cc1 ZINC000586913478 EG Annotated Anodyne Cc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Br ZINC000586913484 EG Annotated Anodyne Cc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Br ZINC000586913485 EG Annotated Anodyne Oc1ccc(C2(c3nc4ccnc(Cl)c4[nH]3)CCOCC2)cc1 ZINC000586913486 EG Annotated Anodyne OC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCOCC1 ZINC000586913567 EG Annotated Anodyne Brc1cnc(Br)c2[nH]c(C3=COCC3)nc12 ZINC000586913568 EG Annotated Anodyne Oc1ccc(C2(c3nc4c(Cl)ccnc4[nH]3)CCOCC2)cc1 ZINC000586913674 EG Annotated Anodyne Oc1ccc(C2(c3nc4cc5cn[nH]c5cc4[nH]3)CCOCC2)cc1 ZINC000586913816 EG Annotated Anodyne N#Cc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1C#N ZINC000586913926 EG Annotated Mild Oc1ccc(C2(c3nc4cc(Cl)ncc4[nH]3)CCOCC2)cc1 ZINC000586913948 EG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3=COCC3)nc2c1 ZINC000586914039 EG Annotated Anodyne O=[N+]([O-])c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586914132 EG Annotated Bother O=C(c1ccccc1)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 ZINC000586914139 EG Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 ZINC000586914140 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586914145 EG Annotated Bother Cc1cc(Br)cc2nc([C@H](O)C3CCOCC3)[nH]c12 ZINC000586914153 EG Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](O)C3CCOCC3)[nH]c12 ZINC000586914154 EG Annotated Anodyne N=c1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c[nH]1 ZINC000586914389 EG Annotated Anodyne O[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCOCC1 ZINC000586915080 EG Annotated Bother O[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCOCC1 ZINC000586915081 EG Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(C3CC4(COC4)C3)[nH]c12 ZINC000586915083 EG Annotated Bother COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)cnc2[nH]1 ZINC000586915103 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)cnc2[nH]1 ZINC000586915104 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)cnc2[nH]1 ZINC000586915105 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)cnc2[nH]1 ZINC000586915106 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000586915170 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000586915171 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000586915172 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000586915173 EG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CC4(COC4)C3)[nH]c21 ZINC000586915237 EG Annotated Clean O[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCOCC1 ZINC000586915292 EG Annotated Bother O[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCOCC1 ZINC000586915293 EG Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cncc(OC)c2[nH]1 ZINC000586915470 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cncc(OC)c2[nH]1 ZINC000586915473 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cncc(OC)c2[nH]1 ZINC000586915475 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cncc(OC)c2[nH]1 ZINC000586915477 EG Annotated Anodyne Fc1c(Br)cc2nc(C3CC4(COC4)C3)[nH]c2c1F ZINC000586915498 EG Annotated Anodyne Clc1c(Br)cnc2[nH]c(C3CC4(COC4)C3)nc12 ZINC000586915523 EG Annotated Anodyne Clc1ncc(Br)c2nc(C3CC4(COC4)C3)[nH]c12 ZINC000586915802 EG Annotated Anodyne Ic1ccc2nc(C3CC4(COC4)C3)[nH]c2c1 ZINC000586916459 EG Annotated Anodyne O=c1ccc2cc(-c3nc4c(Br)cncc4[nH]3)ccc2o1 ZINC000586916533 EG Annotated Anodyne O=c1ccc2cc(-c3nc4nc(Br)ccc4[nH]3)ccc2o1 ZINC000586916544 EG Annotated Anodyne O=c1ccc2cc(-c3nc4c(Br)nccc4[nH]3)ccc2o1 ZINC000586916558 EG Annotated Anodyne O=c1ccc2cc(-c3nc4ncc(Br)cc4[nH]3)ccc2o1 ZINC000586916598 EG Annotated Anodyne O=c1ccc2cc(-c3nc4cnc(Br)cc4[nH]3)ccc2o1 ZINC000586916647 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000586916716 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000586916721 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000586916723 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000586916724 EG Annotated Anodyne O=c1ccc2cc(-c3nc4nccc(Br)c4[nH]3)ccc2o1 ZINC000586916730 EG Annotated Anodyne O=c1ccc2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)ccc2o1 ZINC000586916941 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000586916964 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000586916965 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000586916968 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000586916969 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000586917159 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000586917163 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000586917165 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000586917168 EG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(C3CC4(COC4)C3)[nH]c12 ZINC000586917171 EG Annotated Bother C[C@H]1CCO[C@H](c2nc3cc(I)cnc3[nH]2)C1 ZINC000586917481 EG Annotated Anodyne C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C1 ZINC000586917676 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(OC)nc2[nH]1 ZINC000586917749 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(OC)nc2[nH]1 ZINC000586917752 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(OC)nc2[nH]1 ZINC000586917753 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(OC)nc2[nH]1 ZINC000586917756 EG Annotated Anodyne C[C@H]1CCO[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C1 ZINC000586917948 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000586918074 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000586918077 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000586918078 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000586918079 EG Annotated Anodyne Brc1nccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586918121 EG Annotated Anodyne O=C1CCc2cc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc3cc2N1 ZINC000586918248 EG Annotated Anodyne Brc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cn1 ZINC000586918373 EG Annotated Anodyne Brc1ccnc2[nH]c([C@@H]3COc4ccccc4O3)nc12 ZINC000586918374 EG Annotated Anodyne Ic1cccc2nc(C3CC4(COC4)C3)[nH]c12 ZINC000586918385 EG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cnccc4[nH]3)c(=O)oc2c1C ZINC000586918513 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)ncc2[nH]1 ZINC000586918636 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)ncc2[nH]1 ZINC000586918637 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)ncc2[nH]1 ZINC000586918638 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)ncc2[nH]1 ZINC000586918641 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccnc(OC)c2[nH]1 ZINC000586918702 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccnc(OC)c2[nH]1 ZINC000586918703 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccnc(OC)c2[nH]1 ZINC000586918705 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccnc(OC)c2[nH]1 ZINC000586918707 EG Annotated Anodyne O=c1ccc2cc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)ccc2o1 ZINC000586918740 EG Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 ZINC000586918805 EG Annotated Anodyne FC1(F)Oc2cc3nc([C@@H]4COc5ccccc5O4)[nH]c3cc2O1 ZINC000586918874 EG Annotated Anodyne O=c1ccc2cc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)ccc2o1 ZINC000586918951 EG Annotated Bother Brc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2n1 ZINC000586918982 EG Annotated Anodyne Fc1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1-n1cccn1 ZINC000586919035 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 ZINC000586919205 EG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cccnc4[nH]3)c(=O)oc2c1C ZINC000586919226 EG Annotated Anodyne CCc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586919689 EG Annotated Bother N[C@@H](CP(=O)(O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586919752 EG Annotated Bother Cc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1C ZINC000586919772 EG Annotated Bother Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1C ZINC000586920064 EG Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000586920331 EG Annotated Anodyne C=CCc1cccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c12 ZINC000586920343 EG Annotated Mild O=S(=O)(CCc1nc2ccc(F)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920665 EG Annotated Anodyne Cc1ccc(C)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000586920692 EG Annotated Bother Cc1cc(C)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000586920825 EG Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cccc(Cl)c3[nH]2)cc1 ZINC000586920859 EG Annotated Anodyne O=S(=O)(CCc1nc2cccc(F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920865 EG Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000586921155 EG Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586921562 EG Annotated Anodyne Cc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586921815 EG Annotated Anodyne O=S(=O)(CCc1nc2ccccc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921861 EG Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000586922414 EG Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(C)cnc(Cl)c3[nH]2)c1 ZINC000586923031 EG Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586923049 EG Annotated Anodyne Cc1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586923113 EG Annotated Anodyne CC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586923938 EG Annotated Anodyne CC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586923939 EG Annotated Anodyne O=S(=O)(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C1CCCC1 ZINC000586923996 EG Annotated Anodyne COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1OC ZINC000586923998 EG Annotated Anodyne COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1OC ZINC000586923999 EG Annotated Anodyne COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586924040 EG Annotated Anodyne COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586924041 EG Annotated Anodyne Cc1cc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000586924050 EG Annotated Bother Cc1cc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000586924051 EG Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586924057 EG Annotated Bother O=[N+]([O-])c1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586924058 EG Annotated Bother Cc1ccc2c(ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c32)n1 ZINC000586924074 EG Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C1CCCC1 ZINC000586924075 EG Annotated Anodyne O=S(=O)(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C1CCCC1 ZINC000586924079 EG Annotated Anodyne O=S(=O)(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C1CCCC1 ZINC000586924100 EG Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1 ZINC000586924115 EG Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1 ZINC000586924116 EG Annotated Anodyne COc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Cl ZINC000586924142 EG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc12 ZINC000586924143 EG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc12 ZINC000586924144 EG Annotated Anodyne COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1C ZINC000586924173 EG Annotated Anodyne COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1C ZINC000586924174 EG Annotated Anodyne O=S(=O)(Cc1nc2ccc(Br)cc2[nH]1)C1CCCC1 ZINC000586924213 EG Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C1CCCC1 ZINC000586924219 EG Annotated Anodyne O=S(=O)(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C1CCCC1 ZINC000586924274 EG Annotated Anodyne CS(=O)(=O)/C=C\c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586924402 EG Annotated Anodyne CS(=O)(=O)/C=C/c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586924410 EG Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C1CCCC1 ZINC000586924434 EG Annotated Anodyne O=S(=O)(/C=C\c1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000586924466 EG Annotated Anodyne O=S(=O)(/C=C/c1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000586924467 EG Annotated Anodyne O=S(=O)(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CCCC1 ZINC000586924520 EG Annotated Anodyne COc1cc(OC)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1 ZINC000586925140 EG Annotated Anodyne COc1cc(OC)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 ZINC000586925142 EG Annotated Anodyne O=S(=O)(Cc1nc2cccc(Br)c2[nH]1)C1CCCC1 ZINC000586925172 EG Annotated Anodyne CS(=O)(=O)/C=C\c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586925975 EG Annotated Anodyne CS(=O)(=O)/C=C/c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586925979 EG Annotated Anodyne O=S(=O)(Cl)c1cc(-c2nc3cccnc3[nH]2)ccc1Cl ZINC000586926075 EG Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(F)cnc3[nH]2)ccc1Cl ZINC000586926414 EG Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cccnc3[nH]2)cc1Cl ZINC000586926612 EG Annotated Unstable CCc1ccc(-c2nc3cc(C)cnc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926657 EG Annotated Unstable CCc1ccc(-c2nc3cc(F)cnc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926767 EG Annotated Unstable CCc1ccc(-c2nc3cccc(O)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926770 EG Annotated Unstable Cc1cc(-c2nc3cc4[nH]ncc4cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927499 EG Annotated Unstable CCc1ccc(-c2nc3c(C)nccc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927609 EG Annotated Unstable CCc1ccc(-c2nc3ccc(C)nc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927802 EG Annotated Unstable CCc1ccc(-c2nc3c(C)ccnc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927961 EG Annotated Unstable CCc1ccc(-c2nc3cncc(C)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927971 EG Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(F)cnc3[nH]2)cc1Cl ZINC000586928260 EG Annotated Unstable Cc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c(C)n1 ZINC000586928343 EG Annotated Unstable Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586928659 EG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(C(C)(C)C)cccc3[nH]2)o1 ZINC000586930384 EG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)o1 ZINC000586930457 EG Annotated Anodyne Cc1cc(Cl)cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc12 ZINC000586931329 EG Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc12 ZINC000586931680 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(F)c(F)c2[nH]1)C(C)C ZINC000586932100 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(F)c(F)c2[nH]1)C(C)C ZINC000586932101 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccnc(Cl)c2[nH]1)C(C)C ZINC000586932137 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccnc(Cl)c2[nH]1)C(C)C ZINC000586932138 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(F)c2[nH]1)C(C)C ZINC000586932230 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(F)c2[nH]1)C(C)C ZINC000586932233 EG Annotated Anodyne Cc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Cl ZINC000586932284 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C)cc(F)c2[nH]1)C(C)C ZINC000586932375 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)cc(F)c2[nH]1)C(C)C ZINC000586932377 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)cnc2[nH]1)C(C)C ZINC000586932650 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)cnc2[nH]1)C(C)C ZINC000586932651 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(F)cc2[nH]1)C(C)C ZINC000586932822 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(F)cc2[nH]1)C(C)C ZINC000586932823 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(F)c(C)c2[nH]1)C(C)C ZINC000586932838 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(F)c(C)c2[nH]1)C(C)C ZINC000586932839 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)ncc2[nH]1)C(C)C ZINC000586932872 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)ncc2[nH]1)C(C)C ZINC000586932873 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(F)c(F)cc2[nH]1)C(C)C ZINC000586933045 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)c(F)cc2[nH]1)C(C)C ZINC000586933047 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(Cl)ccnc2[nH]1)C(C)C ZINC000586933154 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(Cl)ccnc2[nH]1)C(C)C ZINC000586933155 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)cc(F)c2[nH]1)C(C)C ZINC000586933423 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(F)cc(F)c2[nH]1)C(C)C ZINC000586933424 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cncc(Cl)c2[nH]1)C(C)C ZINC000586933485 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cncc(Cl)c2[nH]1)C(C)C ZINC000586933486 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C)c(F)cc2[nH]1)C(C)C ZINC000586933835 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)c(F)cc2[nH]1)C(C)C ZINC000586933836 EG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Cl)nc2[nH]1)C(C)C ZINC000586933887 EG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(Cl)nc2[nH]1)C(C)C ZINC000586933888 EG Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C)ccc3[nH]2)cc1 ZINC000586937480 EG Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C)ccc3[nH]2)cc1 ZINC000586937482 EG Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cncc3[nH]2)cc1 ZINC000586937535 EG Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cncc3[nH]2)cc1 ZINC000586937537 EG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000586940702 EG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000586940703 EG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(F)c3[nH]2)cc1 ZINC000586940848 EG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(F)c3[nH]2)cc1 ZINC000586940849 EG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000586941165 EG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000586941166 EG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C)c3[nH]2)cc1 ZINC000586941475 EG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C)c3[nH]2)cc1 ZINC000586941476 EG Annotated Anodyne C=CCc1cccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 ZINC000586947884 EG Annotated Mild C=CCc1cccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586949225 EG Annotated Mild CSc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586949604 EG Annotated Anodyne Cc1cc(C)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1 ZINC000586949815 EG Annotated Anodyne Cc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1C ZINC000586949856 EG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000586949883 EG Annotated Anodyne Cc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1C ZINC000586949951 EG Annotated Anodyne Cc1c(Cl)ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586949972 EG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cccc(Cl)c2[nH]1 ZINC000586950012 EG Annotated Anodyne Cc1ccc(C)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc12 ZINC000586950050 EG Annotated Anodyne Cc1cc(Cl)cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586950092 EG Annotated Anodyne Cc1cncc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12 ZINC000586950104 EG Annotated Anodyne CCc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586950192 EG Annotated Anodyne Cc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Cl ZINC000586950602 EG Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 ZINC000586950759 EG Annotated Anodyne C=CCc1cccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c12 ZINC000586950907 EG Annotated Mild Cc1cc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2c(C)n1 ZINC000586951045 EG Annotated Anodyne Cc1nccc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c12 ZINC000586951060 EG Annotated Anodyne Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2n1 ZINC000586951351 EG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(Cl)c2[nH]1 ZINC000586951689 EG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C)cc(C)c3[nH]2)CC1 ZINC000586951938 EG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 ZINC000586951970 EG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(C)ccc(C)c3[nH]2)CC1 ZINC000586952318 EG Annotated Anodyne C=CCc1cccc2nc(C3CCN(S(=O)(=O)CCC)CC3)[nH]c12 ZINC000586952406 EG Annotated Mild Cc1ccc(C)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc12 ZINC000586952471 EG Annotated Anodyne Cc1c(F)ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 ZINC000586952530 EG Annotated Anodyne C=CCc1cccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 ZINC000586952546 EG Annotated Mild CC1CCC(NS(=O)(=O)Cc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000586952566 EG Annotated Anodyne Cc1cc(F)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1 ZINC000586953249 EG Annotated Anodyne Cc1cc(C)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1 ZINC000586953276 EG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cccc(Cl)c3[nH]2)CC1 ZINC000586953279 EG Annotated Anodyne Cc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1C ZINC000586953286 EG Annotated Anodyne Cc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1F ZINC000586953367 EG Annotated Anodyne CCc1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 ZINC000586953598 EG Annotated Anodyne Cc1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1C ZINC000586953605 EG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(CC)cc3[nH]2)CC1 ZINC000586953631 EG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(C)c(C)c3[nH]2)CC1 ZINC000586953744 EG Annotated Anodyne O=[S@@](Cc1nc2ccc(Br)c(F)c2[nH]1)CC1CC1 ZINC000586957857 EG Annotated Anodyne O=[S@](Cc1nc2ccc(Br)c(F)c2[nH]1)CC1CC1 ZINC000586957863 EG Annotated Anodyne O=[S@@](Cc1nc2ccc(F)c(Br)c2[nH]1)CC1CC1 ZINC000586957876 EG Annotated Anodyne O=[S@](Cc1nc2ccc(F)c(Br)c2[nH]1)CC1CC1 ZINC000586957878 EG Annotated Anodyne Cc1cc(Br)cc2nc(C[S@](=O)CC3CC3)[nH]c12 ZINC000586957896 EG Annotated Anodyne Cc1cc(Br)cc2nc(C[S@@](=O)CC3CC3)[nH]c12 ZINC000586957897 EG Annotated Anodyne CC(C)(SCc1nc2ccc(Br)c(O)c2[nH]1)C(=O)O ZINC000586958000 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSC(C)(C)C(=O)O)nc2c1 ZINC000586958010 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSC(C)(C)C(=O)O)nc12 ZINC000586958017 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)SCC(=O)O)nc2c1 ZINC000586958364 EG Annotated Anodyne Nc1ccc(-c2ccc3nc(C[S@@](=O)CC4CC4)[nH]c3c2)cc1N ZINC000586958412 EG Annotated Anodyne Nc1ccc(-c2ccc3nc(C[S@](=O)CC4CC4)[nH]c3c2)cc1N ZINC000586958413 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c(C(C)(C)SCC(=O)O)nc12 ZINC000586958416 EG Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586958432 EG Annotated Bother O=[S@](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)CC1CC1 ZINC000586958444 EG Annotated Bother O=[S@@](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)CC1CC1 ZINC000586958446 EG Annotated Bother CC(C)(SCc1nc2cccc(Br)c2[nH]1)C(=O)O ZINC000586958462 EG Annotated Anodyne O=[S@](Cc1nc2ncc[nH]c-2n1)C(c1ccccc1)c1ccccc1 ZINC000586958730 EG Annotated Anodyne O=[S@@](Cc1nc2ncc[nH]c-2n1)C(c1ccccc1)c1ccccc1 ZINC000586958737 EG Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cccc(Br)c2[nH]1 ZINC000586958837 EG Annotated Anodyne Cc1c(Br)ccc2nc(C[S@](=O)CC3CC3)[nH]c12 ZINC000586959104 EG Annotated Anodyne Cc1c(Br)ccc2nc(C[S@@](=O)CC3CC3)[nH]c12 ZINC000586959106 EG Annotated Anodyne O=[S@@](Cc1nc2c(Br)cnc(Cl)c2[nH]1)CC1CC1 ZINC000586959250 EG Annotated Anodyne O=[S@](Cc1nc2c(Br)cnc(Cl)c2[nH]1)CC1CC1 ZINC000586959268 EG Annotated Anodyne CC(C)(SCc1nc2ccc(Br)cc2[nH]1)C(=O)O ZINC000586959331 EG Annotated Anodyne O=[S@](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)CC1CC1 ZINC000586959728 EG Annotated Bother O=[S@@](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)CC1CC1 ZINC000586959730 EG Annotated Bother Cc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Br ZINC000586959736 EG Annotated Anodyne Cc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Br ZINC000586959738 EG Annotated Anodyne CC(C)(SCC(=O)O)c1nc2ccc(Br)cc2[nH]1 ZINC000586959747 EG Annotated Anodyne CC(C)(SCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)O ZINC000586959759 EG Annotated Bother CC(C)(SCC(=O)O)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586959784 EG Annotated Anodyne O=[S@](Cc1nc2cnncc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959832 EG Annotated Anodyne O=[S@@](Cc1nc2cnncc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959833 EG Annotated Anodyne Cc1cc(Br)c2[nH]c(C[S@](=O)CC3CC3)nc2c1 ZINC000586960083 EG Annotated Anodyne Cc1cc(Br)c2[nH]c(C[S@@](=O)CC3CC3)nc2c1 ZINC000586960084 EG Annotated Anodyne Cc1nc2[nH]c(CSC(C)(C)C(=O)O)nc2cc1Br ZINC000586960175 EG Annotated Anodyne O=[S@](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)CC1CC1 ZINC000586960181 EG Annotated Anodyne O=[S@@](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)CC1CC1 ZINC000586960188 EG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586960349 EG Annotated Mild C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586960350 EG Annotated Mild Cc1nc2[nH]c(C(C)(C)SCC(=O)O)nc2cc1Br ZINC000586960596 EG Annotated Anodyne O=[S@@](Cc1nc2c(Cl)c(Br)cnc2[nH]1)CC1CC1 ZINC000586960602 EG Annotated Anodyne O=[S@](Cc1nc2c(Cl)c(Br)cnc2[nH]1)CC1CC1 ZINC000586960604 EG Annotated Anodyne N#Cc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1C(F)(F)F ZINC000586960615 EG Annotated Mild N#Cc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1C(F)(F)F ZINC000586960622 EG Annotated Mild O=[S@@](Cc1nc2cc(Br)cc(F)c2[nH]1)CC1CC1 ZINC000586960627 EG Annotated Anodyne O=[S@](Cc1nc2cc(Br)cc(F)c2[nH]1)CC1CC1 ZINC000586960629 EG Annotated Anodyne O=[S@@](Cc1nc2cc(F)cc(Br)c2[nH]1)CC1CC1 ZINC000586960707 EG Annotated Anodyne O=[S@](Cc1nc2cc(F)cc(Br)c2[nH]1)CC1CC1 ZINC000586960709 EG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)Sc3ncccn3)nc2cc1OC ZINC000586960829 EG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)Sc3ncccn3)nc2cc1OC ZINC000586960830 EG Annotated Anodyne O=[S@@](Cc1nc2cc(Br)c(F)cc2[nH]1)CC1CC1 ZINC000586960937 EG Annotated Anodyne O=[S@](Cc1nc2cc(Br)c(F)cc2[nH]1)CC1CC1 ZINC000586960939 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2c(Br)ccnc2[nH]1 ZINC000586961005 EG Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2c(Br)ccnc2[nH]1 ZINC000586961008 EG Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 ZINC000586961054 EG Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 ZINC000586961056 EG Annotated Anodyne C=CCc1cccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c12 ZINC000586961060 EG Annotated Mild C=CCc1cccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c12 ZINC000586961061 EG Annotated Mild C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586961227 EG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586961229 EG Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c12 ZINC000586961284 EG Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c12 ZINC000586961287 EG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586961315 EG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586961328 EG Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586961426 EG Annotated Anodyne CC(C)Oc1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586961429 EG Annotated Anodyne O=[S@](Cc1nc2cncnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961458 EG Annotated Anodyne O=[S@@](Cc1nc2cncnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961459 EG Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c12 ZINC000586961487 EG Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c12 ZINC000586961489 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cncc(Br)c2[nH]1 ZINC000586961684 EG Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cncc(Br)c2[nH]1 ZINC000586961685 EG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586961736 EG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586961740 EG Annotated Anodyne Cc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Cl ZINC000586961859 EG Annotated Anodyne Cc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Cl ZINC000586961860 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(Br)ncc2[nH]1 ZINC000586961980 EG Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(Br)ncc2[nH]1 ZINC000586961981 EG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586961984 EG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586961985 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1 ZINC000586962004 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2c1 ZINC000586962007 EG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586962096 EG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586962097 EG Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586962245 EG Annotated Reactive C[C@H](SCc1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586962248 EG Annotated Reactive CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CO)cc2[nH]1 ZINC000586962308 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CO)cc2[nH]1 ZINC000586962309 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586962315 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586962322 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586962389 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586962391 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(Br)nc2[nH]1 ZINC000586962428 EG Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(Br)nc2[nH]1 ZINC000586962429 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccnc(OC)c2[nH]1 ZINC000586962548 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccnc(OC)c2[nH]1 ZINC000586962550 EG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586962608 EG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586962609 EG Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2c1 ZINC000586962668 EG Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1 ZINC000586962670 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cncc(OC)c2[nH]1 ZINC000586962746 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cncc(OC)c2[nH]1 ZINC000586962748 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C#N)c2[nH]1 ZINC000586962771 EG Annotated Mild CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C#N)c2[nH]1 ZINC000586962773 EG Annotated Mild CSc1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586962942 EG Annotated Anodyne CSc1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586962943 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586962961 EG Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586962962 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC)nc2[nH]1 ZINC000586963069 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC)nc2[nH]1 ZINC000586963070 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586963135 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586963137 EG Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586963211 EG Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586963212 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(Br)cnc2[nH]1 ZINC000586963216 EG Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(Br)cnc2[nH]1 ZINC000586963217 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccnc(Br)c2[nH]1 ZINC000586963286 EG Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccnc(Br)c2[nH]1 ZINC000586963288 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1OC ZINC000586963291 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2c1OC ZINC000586963292 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C#N)cc2[nH]1 ZINC000586963432 EG Annotated Mild CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C#N)cc2[nH]1 ZINC000586963433 EG Annotated Mild CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)ncc2[nH]1 ZINC000586963577 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)ncc2[nH]1 ZINC000586963578 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586963601 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586963603 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586963991 EG Annotated Bother C[C@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586963992 EG Annotated Bother CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586964122 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586964123 EG Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586964137 EG Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586964138 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586964252 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586964253 EG Annotated Anodyne N#Cc1ccccc1SCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586964374 EG Annotated Mild N#Cc1ccccc1SCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586964388 EG Annotated Mild Cc1ccc(SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)c1 ZINC000586964391 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586964402 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586964403 EG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586964434 EG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586964435 EG Annotated Anodyne N#Cc1ccccc1SCc1nc2c(S)nc(S)nc2[nH]1 ZINC000586964486 EG Annotated Mild Cc1ccc(SCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1 ZINC000586964890 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(CSc3ccccc3C#N)[nH]c2c1 ZINC000586964894 EG Annotated Mild Cc1ccc(SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)c1 ZINC000586965422 EG Annotated Anodyne N#Cc1ccccc1SCc1nc2nc(Br)c[nH]c-2n1 ZINC000586965465 EG Annotated Mild Cc1ccc(-c2nnc(SCc3nc4cnccc4[nH]3)n2C)cc1 ZINC000586965762 EG Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cccnc4[nH]3)n2C)cc1 ZINC000586966020 EG Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ncc[nH]c-3n2)c(C)c1 ZINC000586966088 EG Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000586966226 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(F)c(F)c(F)c3[nH]2)n1 ZINC000586966255 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3cnc4ccccc4c3[nH]2)n1 ZINC000586966287 EG Annotated Anodyne Fc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966306 EG Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cnncc3[nH]2)c(C)c1 ZINC000586966353 EG Annotated Anodyne c1cncc(-c2noc(SCc3nc4cc5cn[nH]c5cc4[nH]3)n2)c1 ZINC000586966427 EG Annotated Anodyne CC(C)(C)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966522 EG Annotated Anodyne Oc1cc(O)nc(SCc2nc3cccc(C(F)(F)F)c3[nH]2)n1 ZINC000586966547 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(OC)c(F)cc3[nH]2)n1 ZINC000586966550 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(C(C)=O)cc3[nH]2)n1 ZINC000586966556 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3c(C)cnc(Cl)c3[nH]2)n1 ZINC000586966579 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc4ncccc4c3[nH]2)n1 ZINC000586966591 EG Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CSc3ncccc3C(=O)O)nc2c1 ZINC000586966630 EG Annotated Mild Cc1cnc(Cl)c2[nH]c(CSc3ncccc3C(=O)O)nc12 ZINC000586966633 EG Annotated Anodyne Clc1cncc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966634 EG Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3cccnc3SCC(=O)O)[nH]c2c1 ZINC000586966652 EG Annotated Mild Clc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1 ZINC000586966665 EG Annotated Anodyne Cc1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c(C)n1 ZINC000586966705 EG Annotated Anodyne Clc1ccnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586966707 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3c(F)cnc(Cl)c3[nH]2)n1 ZINC000586966858 EG Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cncnc3[nH]2)c(C)c1 ZINC000586966874 EG Annotated Anodyne N#Cc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966954 EG Annotated Mild CC(C)(C)c1cccc2nc(CSc3nc(O)cc(O)n3)[nH]c12 ZINC000586966966 EG Annotated Anodyne Oc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966969 EG Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000586966992 EG Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586967003 EG Annotated Anodyne COc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1F ZINC000586967010 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C#N)cc(Cl)c3[nH]2)n1 ZINC000586967057 EG Annotated Mild Oc1cc(O)nc(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1 ZINC000586967069 EG Annotated Anodyne Cc1cnc(Cl)c2nc(-c3cccnc3SCC(=O)O)[nH]c12 ZINC000586967195 EG Annotated Anodyne COc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967249 EG Annotated Anodyne Clc1nccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967261 EG Annotated Anodyne Clc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cn1 ZINC000586967331 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(OC)c(C)cc3[nH]2)n1 ZINC000586967345 EG Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)n1 ZINC000586967375 EG Annotated Bother O=C(O)CSc1ncccc1-c1nc2c(F)c(F)c(F)cc2[nH]1 ZINC000586967411 EG Annotated Anodyne N#Cc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586967429 EG Annotated Mild Clc1cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967431 EG Annotated Anodyne Oc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967460 EG Annotated Anodyne Fc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967471 EG Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc3ncccc3c2[nH]1 ZINC000586967809 EG Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2n1 ZINC000586967954 EG Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(cnc3ccccc32)[nH]1 ZINC000586968226 EG Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cnc3ccccc3c2[nH]1 ZINC000586968301 EG Annotated Anodyne CC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586968363 EG Annotated Anodyne Cc1cc2[nH]c(CSc3ncccc3C(=O)O)nc2cc1[N+](=O)[O-] ZINC000586968416 EG Annotated Bother O=C(O)c1cccnc1SCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586968453 EG Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(ccc3ncccc32)[nH]1 ZINC000586968460 EG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586968559 EG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586968567 EG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586968917 EG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586968995 EG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cccc(Br)c2[nH]1 ZINC000586969240 EG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586969524 EG Annotated Anodyne CSCC(C)(C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586969528 EG Annotated Anodyne COc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1C ZINC000586969595 EG Annotated Anodyne CSCC(C)(C)c1nc2cc(I)cnc2[nH]1 ZINC000586969687 EG Annotated Anodyne Cc1ccc(CSCCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586970006 EG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586970014 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Cl ZINC000586970285 EG Annotated Bother [O-][n+]1ccccc1SCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586970367 EG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586970368 EG Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586970433 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586970434 EG Annotated Reactive O=[N+]([O-])c1cc(Br)cc2nc(CBr)[nH]c12 ZINC000586970445 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586970566 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586970567 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586970673 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586970674 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586970780 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586970781 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586970878 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586970879 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586970884 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586970886 EG Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(CBr)nc2c1 ZINC000586970966 EG Annotated Reactive Clc1c(Br)cnc2[nH]c(CBr)nc12 ZINC000586971118 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586971200 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586971201 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586971212 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586971213 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586971215 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586971217 EG Annotated Reactive Clc1ncc(Br)c2nc(CBr)[nH]c12 ZINC000586971220 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586971244 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586971245 EG Annotated Reactive COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1OC ZINC000586971263 EG Annotated Reactive COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1OC ZINC000586971266 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586971321 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586971322 EG Annotated Reactive O=[N+]([O-])c1c(Br)ccc2nc(CBr)[nH]c12 ZINC000586971356 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586971420 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586971421 EG Annotated Reactive COc1cc(OC)c2[nH]c([C@@H](Br)C(C)(C)OC)nc2c1 ZINC000586971429 EG Annotated Reactive COc1cc(OC)c2[nH]c([C@H](Br)C(C)(C)OC)nc2c1 ZINC000586971431 EG Annotated Reactive COC(=O)c1cccc2nc([C@@H](Br)C(C)(C)OC)[nH]c12 ZINC000586971688 EG Annotated Reactive COC(=O)c1cccc2nc([C@H](Br)C(C)(C)OC)[nH]c12 ZINC000586971689 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586971699 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586971700 EG Annotated Reactive COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 ZINC000586971711 EG Annotated Reactive COC(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 ZINC000586971712 EG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586971836 EG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586971837 EG Annotated Reactive CCCC(Br)(CCC)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586971863 EG Annotated Mild Cc1ccc(CSCCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586971875 EG Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586971918 EG Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnnc(O)c2[nH]1 ZINC000586972013 EG Annotated Bother BrCCCCc1nc2ccnc(Br)c2[nH]1 ZINC000586972043 EG Annotated Reactive BrCCCCc1nc2cc(Br)cnc2[nH]1 ZINC000586972044 EG Annotated Reactive O=[N+]([O-])c1cc2nc(CCCCBr)[nH]c2cc1[N+](=O)[O-] ZINC000586972050 EG Annotated Reactive Fc1c(Br)cc2nc(CBr)[nH]c2c1F ZINC000586972070 EG Annotated Reactive Cc1c(Br)cnc2[nH]c(/C=C\CBr)nc12 ZINC000586972117 EG Annotated Reactive Cc1c(Br)cnc2[nH]c(/C=C/CBr)nc12 ZINC000586972118 EG Annotated Reactive BrCCCCc1nc2cncc(Br)c2[nH]1 ZINC000586972149 EG Annotated Reactive Oc1c(Br)ccc2nc(/C=C/CBr)[nH]c12 ZINC000586972222 EG Annotated Reactive Oc1c(Br)ccc2nc(/C=C\CBr)[nH]c12 ZINC000586972224 EG Annotated Reactive BrCCCCc1nc2c(Br)ccnc2[nH]1 ZINC000586972242 EG Annotated Reactive BrCc1nc2cccc(I)c2[nH]1 ZINC000586972301 EG Annotated Reactive COC(=O)c1cc2[nH]c(CCCCBr)nc2cc1OC ZINC000586972333 EG Annotated Reactive BrCc1nc2ccc(I)cc2[nH]1 ZINC000586972344 EG Annotated Reactive BrCCCCc1nc2ccc(Br)nc2[nH]1 ZINC000586972349 EG Annotated Reactive O=C1c2ccccc2C(=O)c2c1ccc1nc(CBr)[nH]c21 ZINC000586972381 EG Annotated Reactive COC(=O)c1ccc2nc(CCCCBr)[nH]c2c1OC ZINC000586972421 EG Annotated Reactive BrCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586972423 EG Annotated Reactive BrCCCCc1nc2cc(Br)ncc2[nH]1 ZINC000586972586 EG Annotated Reactive Cc1nc2[nH]c(/C=C\CBr)nc2cc1Br ZINC000586972683 EG Annotated Reactive Cc1nc2[nH]c(/C=C/CBr)nc2cc1Br ZINC000586972686 EG Annotated Reactive CCOC(=O)Cc1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972725 EG Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cnccc2[nH]1 ZINC000586973056 EG Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cnccc2[nH]1 ZINC000586973057 EG Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586973472 EG Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586973474 EG Annotated Reactive Fc1cnc(Br)c2[nH]c(/C=C/CBr)nc12 ZINC000586973547 EG Annotated Reactive Fc1cnc(Br)c2[nH]c(/C=C\CBr)nc12 ZINC000586973551 EG Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)nccc2[nH]1 ZINC000586973566 EG Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)nccc2[nH]1 ZINC000586973568 EG Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/CBr)nc1-2 ZINC000586973569 EG Annotated Reactive FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\CBr)nc1-2 ZINC000586973571 EG Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)cnc2[nH]1 ZINC000586973605 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\CBr)nc2c1 ZINC000586973607 EG Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)cnc2[nH]1 ZINC000586973608 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/CBr)nc2c1 ZINC000586973611 EG Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)cnc2[nH]1 ZINC000586973685 EG Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(F)cnc2[nH]1 ZINC000586973687 EG Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cncc(C)c2[nH]1 ZINC000586973694 EG Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cncc(C)c2[nH]1 ZINC000586973696 EG Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(O)ncnc2[nH]1 ZINC000586973902 EG Annotated Bother C[C@H](c1ccc(CBr)cc1)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000586974416 EG Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000586974418 EG Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586974510 EG Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586974512 EG Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)ccnc2[nH]1 ZINC000586974533 EG Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)ccnc2[nH]1 ZINC000586974534 EG Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000586974765 EG Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000586974766 EG Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(N)ncnc2[nH]1 ZINC000586974995 EG Annotated Bother COc1cc(/C=C/c2nc3cnnc(O)c3[nH]2)ccc1Br ZINC000586975938 EG Annotated Anodyne COc1cc(/C=C\c2nc3cnnc(O)c3[nH]2)ccc1Br ZINC000586975945 EG Annotated Anodyne COc1cc(/C=C/c2nc3c(N)ccnc3[nH]2)ccc1Br ZINC000586976013 EG Annotated Anodyne COc1cc(/C=C\c2nc3c(N)ccnc3[nH]2)ccc1Br ZINC000586976018 EG Annotated Anodyne Clc1ccc(OCc2nc3cncnc3[nH]2)c(Br)c1 ZINC000586976159 EG Annotated Anodyne Clc1ccc(OCc2nc3ncc[nH]c-3n2)c(Br)c1 ZINC000586976172 EG Annotated Anodyne COc1cc(/C=C/c2nc3ncc[nH]c-3n2)ccc1Br ZINC000586976203 EG Annotated Anodyne COc1cc(/C=C\c2nc3ncc[nH]c-3n2)ccc1Br ZINC000586976207 EG Annotated Anodyne Cc1cc(Cc2nc3cc(N)c(N)cc3[nH]2)ccc1Br ZINC000586976316 EG Annotated Anodyne COc1cc(/C=C/c2nc3cnncc3[nH]2)ccc1Br ZINC000586976365 EG Annotated Anodyne COc1cc(/C=C\c2nc3cnncc3[nH]2)ccc1Br ZINC000586976367 EG Annotated Anodyne COc1cc(/C=C/c2nc3cncnc3[nH]2)ccc1Br ZINC000586977317 EG Annotated Anodyne COc1cc(/C=C\c2nc3cncnc3[nH]2)ccc1Br ZINC000586977318 EG Annotated Anodyne Clc1ccc(OCc2nc3cnncc3[nH]2)c(Br)c1 ZINC000586977554 EG Annotated Anodyne COc1cc(/C=C/c2nc3cc(=N)[nH]cc3[nH]2)ccc1Br ZINC000586977685 EG Annotated Anodyne COc1cc(/C=C\c2nc3cc(=N)[nH]cc3[nH]2)ccc1Br ZINC000586977686 EG Annotated Anodyne COc1cc(/C=C/c2nc3cc[nH]c(=N)c3[nH]2)ccc1Br ZINC000586977990 EG Annotated Anodyne COc1cc(/C=C\c2nc3cc[nH]c(=N)c3[nH]2)ccc1Br ZINC000586977991 EG Annotated Anodyne Cc1nn(Cc2nc3c(Cl)ccnc3[nH]2)c(C)c1Br ZINC000586978659 EG Annotated Anodyne Cc1nn(Cc2nc3cc(F)cc(F)c3[nH]2)c(C)c1Br ZINC000586978664 EG Annotated Anodyne Cc1nn(Cc2nc3ccc(Cl)nc3[nH]2)c(C)c1Br ZINC000586978697 EG Annotated Anodyne Cc1nn(Cc2nc3cc4cn[nH]c4cc3[nH]2)c(C)c1Br ZINC000586978728 EG Annotated Anodyne CC(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 ZINC000586978739 EG Annotated Anodyne Cc1nn(Cc2nc3ccnc(Cl)c3[nH]2)c(C)c1Br ZINC000586978758 EG Annotated Anodyne Cc1nn(Cc2nc3cc(Cl)ncc3[nH]2)c(C)c1Br ZINC000586978775 EG Annotated Anodyne COc1cccc2nc(Cn3nc(C)c(Br)c3C)[nH]c12 ZINC000586978808 EG Annotated Anodyne Cc1ncc(-c2nc3cc(N)c(N)cc3[nH]2)c(C)c1Br ZINC000586978868 EG Annotated Anodyne COc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2n1 ZINC000586978888 EG Annotated Anodyne Cc1ncc(-c2nc3ccc(CO)cc3[nH]2)c(C)c1Br ZINC000586978911 EG Annotated Anodyne COc1nccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586978933 EG Annotated Anodyne Cc1ncc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)c1Br ZINC000586978972 EG Annotated Bother Cc1nn(Cc2nc3cc(Cl)cnc3[nH]2)c(C)c1Br ZINC000586979044 EG Annotated Anodyne Cc1cc2[nH]c(Cn3nc(C)c(Br)c3C)nc2c(C)n1 ZINC000586979052 EG Annotated Anodyne Cc1nn(Cc2nc3ccc(C#N)cc3[nH]2)c(C)c1Br ZINC000586979065 EG Annotated Mild Oc1nccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979094 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(F)c3[nH]2)c1Br ZINC000586979111 EG Annotated Anodyne Cc1ncc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)c1Br ZINC000586979116 EG Annotated Bother Cc1ncc(-c2nc3nc(Cl)c[nH]c-3n2)c(C)c1Br ZINC000586979163 EG Annotated Anodyne Cc1ncc(-c2nc3c(Cl)ncnc3[nH]2)c(C)c1Br ZINC000586979173 EG Annotated Anodyne Cc1nn(Cc2nc3cncc(Cl)c3[nH]2)c(C)c1Br ZINC000586979198 EG Annotated Anodyne Nc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1N ZINC000586979201 EG Annotated Anodyne Cc1nn(Cc2nc3cc(F)c(F)cc3[nH]2)c(C)c1Br ZINC000586979210 EG Annotated Anodyne Cc1nn(Cc2nc3cccc(C#N)c3[nH]2)c(C)c1Br ZINC000586979212 EG Annotated Mild Clc1ncc2nc(-c3ccnc(Cl)c3Br)nc-2[nH]1 ZINC000586979255 EG Annotated Anodyne Cc1nn(Cc2nc3ccc(F)c(F)c3[nH]2)c(C)c1Br ZINC000586979263 EG Annotated Anodyne Cc1ncc(-c2nc3cnc(Cl)[nH]c-3n2)c(C)c1Br ZINC000586979282 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(OC)c3[nH]2)c1Br ZINC000586979306 EG Annotated Anodyne COc1nccc2nc(-c3cnc(C)c(Br)c3C)[nH]c12 ZINC000586979530 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Cl)ccnc3[nH]2)c1Br ZINC000586979531 EG Annotated Anodyne Cc1c(-c2nc3c(N)ccnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979540 EG Annotated Bother CCOc1n[nH]c(-c2nc3ccnc(Cl)c3[nH]2)c1Br ZINC000586979560 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Cl)cnc3[nH]2)c1Br ZINC000586979585 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cncc(Cl)c3[nH]2)c1Br ZINC000586979594 EG Annotated Anodyne COc1cncc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979600 EG Annotated Anodyne Cc1c(-c2nc3ccnc(O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979624 EG Annotated Bother COc1cncc2nc(-c3cnc(C)c(Br)c3C)[nH]c12 ZINC000586979628 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3c(C)nc(C)cc3[nH]2)c1Br ZINC000586979642 EG Annotated Anodyne Clc1c[nH]c2nc(-c3ccnc(Cl)c3Br)nc-2n1 ZINC000586979643 EG Annotated Anodyne Clc1nccc(-c2nc3c(Cl)ncnc3[nH]2)c1Br ZINC000586979692 EG Annotated Anodyne Cc1c(-c2nc3cc(=N)[nH]cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979731 EG Annotated Bother CCOc1n[nH]c(-c2nc3ccc(F)c(F)c3[nH]2)c1Br ZINC000586979735 EG Annotated Anodyne COc1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2n1 ZINC000586979817 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Cl)nc3[nH]2)c1Br ZINC000586979828 EG Annotated Anodyne COc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cn1 ZINC000586979844 EG Annotated Anodyne COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cn1 ZINC000586979920 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(F)cc(F)c3[nH]2)c1Br ZINC000586979962 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Cl)ncc3[nH]2)c1Br ZINC000586979967 EG Annotated Anodyne Cc1c(-c2nc3cc[nH]c(=N)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980199 EG Annotated Bother CCOc1n[nH]c(-c2nc3ccc(C(C)=O)cc3[nH]2)c1Br ZINC000586980256 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(F)c(F)cc3[nH]2)c1Br ZINC000586980365 EG Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(N)ccnc2[nH]1 ZINC000586981010 EG Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(N)c(N)cc2[nH]1 ZINC000586981012 EG Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccnc(O)c2[nH]1 ZINC000586981304 EG Annotated Anodyne COc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2n1 ZINC000586981389 EG Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000586981407 EG Annotated Anodyne COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cn1 ZINC000586981419 EG Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(=N)[nH]cc2[nH]1 ZINC000586981437 EG Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc[nH]c(=N)c2[nH]1 ZINC000586981663 EG Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(CO)cc3[nH]2)c1 ZINC000586981798 EG Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(CCO)cc3[nH]2)c1 ZINC000586982238 EG Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000586982272 EG Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586982686 EG Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000586982694 EG Annotated Bother COc1nccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 ZINC000586982860 EG Annotated Anodyne COc1cncc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 ZINC000586982942 EG Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000586983189 EG Annotated Bother N[C@H](Cc1cccc(Br)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000586983281 EG Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000586983282 EG Annotated Anodyne N#Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586983553 EG Annotated Mild N#Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586983554 EG Annotated Mild Cc1cncc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983564 EG Annotated Anodyne Cc1cncc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983565 EG Annotated Anodyne Cc1ccnc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12 ZINC000586983571 EG Annotated Anodyne Cc1ccnc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12 ZINC000586983572 EG Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(O)cc2[nH]1 ZINC000586983669 EG Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(O)cc2[nH]1 ZINC000586983671 EG Annotated Anodyne Cc1nccc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12 ZINC000586983682 EG Annotated Anodyne Cc1nccc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12 ZINC000586983684 EG Annotated Anodyne Cc1cnc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586983730 EG Annotated Anodyne Cc1cnc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1 ZINC000586983731 EG Annotated Anodyne Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2n1 ZINC000586984049 EG Annotated Anodyne Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2n1 ZINC000586984050 EG Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cccc(O)c2[nH]1 ZINC000586984475 EG Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(O)c2[nH]1 ZINC000586984476 EG Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cnc2[nH]1 ZINC000586985102 EG Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cnc2[nH]1 ZINC000586985104 EG Annotated Anodyne N#Cc1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586985116 EG Annotated Mild N#Cc1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586985117 EG Annotated Mild Cc1c(-c2ncnn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986478 EG Annotated Anodyne C/C(=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NCCO ZINC000586987201 EG Annotated Anodyne C/C(=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NCCO ZINC000586987205 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]3C[N+](=O)[O-] ZINC000586987325 EG Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]3C[N+](=O)[O-] ZINC000586987329 EG Annotated Bother O=C1c2ccccc2-c2cc(Cn3cccn3)nc3ccc(O)c1c23 ZINC000586987340 EG Annotated Anodyne N=c1[nH]ccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987387 EG Annotated Anodyne C[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)n1cncn1 ZINC000586987391 EG Annotated Anodyne C[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)n1cncn1 ZINC000586987392 EG Annotated Anodyne O=C1c2ccccc2-c2cc([C@@]3(F)CCOC3=O)nc3ccc(O)c1c23 ZINC000586987427 EG Annotated Anodyne O=C1c2ccccc2-c2cc([C@]3(F)CCOC3=O)nc3ccc(O)c1c23 ZINC000586987429 EG Annotated Anodyne Cn1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1N ZINC000586987609 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C[N+](=O)[O-])C3 ZINC000586987657 EG Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C[N+](=O)[O-])C3 ZINC000586987658 EG Annotated Bother Cn1cc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 ZINC000586987851 EG Annotated Anodyne N=c1[nH]cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1 ZINC000586987905 EG Annotated Anodyne N=c1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc[nH]1 ZINC000586988048 EG Annotated Anodyne Cc1c(Cn2cncn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988124 EG Annotated Anodyne CN1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O ZINC000586988221 EG Annotated Anodyne CC(=O)N[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988996 EG Annotated Anodyne CC(=O)N[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988997 EG Annotated Anodyne Cc1noc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 ZINC000586989202 EG Annotated Anodyne CC(=O)OC(=O)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586989214 EG Annotated Reactive O=C1c2ccccc2-c2cc(-c3cc(CO)on3)nc3ccc(O)c1c23 ZINC000586989243 EG Annotated Anodyne COC(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OC ZINC000586989264 EG Annotated Anodyne COCCc1c(COC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989413 EG Annotated Anodyne CCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989420 EG Annotated Anodyne COC(=O)[C@@H](OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989488 EG Annotated Anodyne COC(=O)[C@H](OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989489 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](C(=O)O)C3 ZINC000586989524 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](C(=O)O)C3 ZINC000586989525 EG Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCC(=O)O)-c1ccccc1C3=O ZINC000586989566 EG Annotated Anodyne O=C(O)C1=Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586989738 EG Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)nn3)nc3ccc(O)c1c23 ZINC000586989861 EG Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3CCCNC3=O)nc3ccc(O)c1c23 ZINC000586990137 EG Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H]3CCCNC3=O)nc3ccc(O)c1c23 ZINC000586990141 EG Annotated Anodyne CC(=O)C(C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990221 EG Annotated Anodyne COC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990223 EG Annotated Anodyne COC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990232 EG Annotated Anodyne COC(=O)Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990295 EG Annotated Anodyne COC(=O)C1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000586990305 EG Annotated Anodyne CCc1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000586990461 EG Annotated Anodyne O=C(O)C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586990471 EG Annotated Anodyne O=C(O)C[C@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586990473 EG Annotated Anodyne CC1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)COCOC1 ZINC000586990514 EG Annotated Anodyne CCOC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990611 EG Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586990613 EG Annotated Anodyne O=C1c2ccccc2-c2cc(C3(C(=O)O)CC3)nc3ccc(O)c1c23 ZINC000586990642 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]3C(=O)O ZINC000586990901 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]3C(=O)O ZINC000586990917 EG Annotated Anodyne C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C[C@H]1O)-c1ccccc1C4=O ZINC000586990968 EG Annotated Anodyne C[C@H]1Cc2nc3ccc(O)c4c3c(c2C[C@@H]1O)-c1ccccc1C4=O ZINC000586990970 EG Annotated Anodyne C[C@H]1Cc2nc3ccc(O)c4c3c(c2C[C@H]1O)-c1ccccc1C4=O ZINC000586990972 EG Annotated Anodyne C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C[C@@H]1O)-c1ccccc1C4=O ZINC000586990974 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C(=O)O)CC3 ZINC000586991267 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C(=O)O)CC3 ZINC000586991268 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](CO)C3 ZINC000586991329 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](CO)C3 ZINC000586991330 EG Annotated Anodyne C=CCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991398 EG Annotated Mild COC(=O)Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586991403 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](CO)CC3 ZINC000586991518 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](CO)CC3 ZINC000586991519 EG Annotated Anodyne O=C1c2ccccc2-c2cc(C3=COCCO3)nc3ccc(O)c1c23 ZINC000586991525 EG Annotated Anodyne COC(=O)[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991537 EG Annotated Anodyne COC(=O)[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991539 EG Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3CCOC3=O)nc3ccc(O)c1c23 ZINC000586991547 EG Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H]3CCOC3=O)nc3ccc(O)c1c23 ZINC000586991548 EG Annotated Anodyne COC(=O)/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991906 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1=C(C3)OCOC1 ZINC000586991923 EG Annotated Anodyne C[C@@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)O ZINC000586991925 EG Annotated Anodyne C[C@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)O ZINC000586991927 EG Annotated Anodyne COC(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992132 EG Annotated Anodyne COC(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992161 EG Annotated Anodyne Cc1c(CCC(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992183 EG Annotated Anodyne O=C1c2ccccc2-c2c(CCC3OCCO3)cnc3ccc(O)c1c23 ZINC000586992246 EG Annotated Anodyne COC(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992575 EG Annotated Anodyne COC(=O)C[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586992602 EG Annotated Anodyne COC(=O)C[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586992604 EG Annotated Anodyne COC(=O)C1=Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586992645 EG Annotated Anodyne COC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586992650 EG Annotated Anodyne COC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586992651 EG Annotated Anodyne CCc1c(CC(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992659 EG Annotated Anodyne COC(=O)[C@@H]1C=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586992671 EG Annotated Anodyne COC(=O)[C@H]1C=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586992673 EG Annotated Anodyne OCc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586994799 EG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000586994814 EG Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586994843 EG Annotated Anodyne COc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cn1 ZINC000586994860 EG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000586994981 EG Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(N)=O)C4)-c1ccccc1C2=O ZINC000586995126 EG Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](C(N)=O)C4)-c1ccccc1C2=O ZINC000586995130 EG Annotated Anodyne COc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2n1 ZINC000586995268 EG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cncnc2[nH]1 ZINC000586995372 EG Annotated Anodyne CC(=O)N[C@H]1Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586995396 EG Annotated Anodyne CC(=O)N[C@@H]1Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586995397 EG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000586995410 EG Annotated Anodyne Oc1nccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995669 EG Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)N(C)C)nc13)-c1ccccc1C2=O ZINC000586995839 EG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cnncc2[nH]1 ZINC000586995866 EG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ncc[nH]c-2n1 ZINC000586995875 EG Annotated Anodyne CON(C)C(=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996083 EG Annotated Anodyne N[C@H](Cc1nc2ccc(O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996183 EG Annotated Anodyne N[C@H](Cc1nc2ccc(CO)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996264 EG Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586996265 EG Annotated Anodyne COc1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586996310 EG Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586996339 EG Annotated Anodyne CC(=O)NCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996514 EG Annotated Anodyne O=C(O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996521 EG Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586996527 EG Annotated Anodyne N#Cc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996610 EG Annotated Mild COc1nccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586996661 EG Annotated Anodyne N[C@H](Cc1nc2cccc(O)c2[nH]1)c1ccc(Br)cc1 ZINC000586996685 EG Annotated Anodyne Cc1ccc2c3c(cc(CN(C)CCO)nc13)-c1ccccc1C2=O ZINC000586996688 EG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000586996700 EG Annotated Anodyne N#Cc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586996714 EG Annotated Mild COc1cncc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586996718 EG Annotated Anodyne Nc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1N ZINC000586996756 EG Annotated Anodyne O=[N+]([O-])c1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586996779 EG Annotated Bother O[C@H](c1ccc(Br)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586996799 EG Annotated Anodyne N[C@H](Cc1nc2cc(F)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586997077 EG Annotated Anodyne N#Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 ZINC000586997143 EG Annotated Mild Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2n1 ZINC000586997145 EG Annotated Anodyne N#Cc1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586997197 EG Annotated Mild Cc1cnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1 ZINC000586997297 EG Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cncnc3[nH]1)OCO2 ZINC000586997347 EG Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cncnc3[nH]1)OCO2 ZINC000586997351 EG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586997552 EG Annotated Anodyne Cc1cc2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c(C)n1 ZINC000586997726 EG Annotated Anodyne Cc1nccc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12 ZINC000586997735 EG Annotated Anodyne Cc1cncc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586997776 EG Annotated Anodyne Cc1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12 ZINC000586998137 EG Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586998143 EG Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586998168 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586998180 EG Annotated Bother O[C@H](c1ccc(Br)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000586998252 EG Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cnncc3[nH]1)OCO2 ZINC000586998870 EG Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cnncc3[nH]1)OCO2 ZINC000586998871 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Cl)cnc3[nH]2)n1 ZINC000586999882 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(Cl)ccnc3[nH]2)n1 ZINC000586999895 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(OC)c(C)cc3[nH]2)n1 ZINC000586999961 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(Cl)nc3[nH]2)n1 ZINC000587000291 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(OC)c3[nH]2)n1 ZINC000587000306 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C(C)=O)cc3[nH]2)n1 ZINC000587000331 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccnc(Cl)c3[nH]2)n1 ZINC000587000356 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(F)cc(F)c3[nH]2)n1 ZINC000587000448 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(F)c(F)cc3[nH]2)n1 ZINC000587000754 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(F)c(F)c3[nH]2)n1 ZINC000587000768 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C#N)cc3[nH]2)n1 ZINC000587000844 EG Annotated Mild CCn1cc(Br)c(Cc2nc3cncc(Cl)c3[nH]2)n1 ZINC000587000861 EG Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cccnc3[nH]2)c1 ZINC000587001068 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc4cn[nH]c4cc3[nH]2)n1 ZINC000587001084 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(C#N)c3[nH]2)n1 ZINC000587001397 EG Annotated Mild CCn1cc(Br)c(Cc2nc3c(C)nc(C)cc3[nH]2)n1 ZINC000587001427 EG Annotated Anodyne COc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cn1 ZINC000587001921 EG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(Cl)ncc3[nH]2)n1 ZINC000587001995 EG Annotated Anodyne Clc1ncnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587002399 EG Annotated Anodyne COc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 ZINC000587002442 EG Annotated Anodyne Clc1c[nH]c2nc(-c3ccnc4[nH]cc(Br)c34)nc-2n1 ZINC000587002466 EG Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cnccc3[nH]2)c1 ZINC000587002873 EG Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2o1 ZINC000587003178 EG Annotated Anodyne OCc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587003386 EG Annotated Anodyne Clc1ncc2nc(-c3ccnc4[nH]cc(Br)c34)nc-2[nH]1 ZINC000587003557 EG Annotated Anodyne COc1cncc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587003730 EG Annotated Anodyne Nc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1N ZINC000587004328 EG Annotated Anodyne Fc1cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587004600 EG Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(N)ncnc4[nH]3)c2o1 ZINC000587004660 EG Annotated Anodyne COc1nccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587004839 EG Annotated Anodyne Nc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1N ZINC000587004890 EG Annotated Anodyne COc1cncc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005002 EG Annotated Anodyne Oc1nccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005042 EG Annotated Anodyne COc1nccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005119 EG Annotated Anodyne Nc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1N ZINC000587005161 EG Annotated Anodyne COc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005184 EG Annotated Anodyne Cc1cc2[nH]c(-c3nc(Cl)cnc3Br)nc2c(C)n1 ZINC000587005201 EG Annotated Anodyne Oc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005223 EG Annotated Anodyne Clc1c[nH]c2nc(-c3ccnc(Br)c3Cl)nc-2n1 ZINC000587005224 EG Annotated Anodyne Clc1ncc2nc(-c3ccnc(Br)c3Cl)nc-2[nH]1 ZINC000587005236 EG Annotated Anodyne Clc1c[nH]c2nc(-c3nc(Br)ccc3Cl)nc-2n1 ZINC000587005314 EG Annotated Anodyne Clc1c(-c2nc3c(Cl)ncnc3[nH]2)ccnc1Br ZINC000587005369 EG Annotated Anodyne Clc1cnc2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005401 EG Annotated Anodyne Clc1ccc(Br)nc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587005444 EG Annotated Anodyne Clc1cnc(Br)c(-c2nc3c(Cl)ccnc3[nH]2)n1 ZINC000587005476 EG Annotated Anodyne COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cn1 ZINC000587005496 EG Annotated Anodyne Clc1ncc2nc(-c3nc(Br)ccc3Cl)nc-2[nH]1 ZINC000587005521 EG Annotated Anodyne Clc1cnc(Br)c(-c2nc3ccc(Cl)nc3[nH]2)n1 ZINC000587005582 EG Annotated Anodyne COc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2n1 ZINC000587005630 EG Annotated Anodyne Clc1cnc(Br)c(-c2nc3cncc(Cl)c3[nH]2)n1 ZINC000587005648 EG Annotated Anodyne COc1nccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005653 EG Annotated Anodyne Clc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cn1 ZINC000587005752 EG Annotated Anodyne N#Cc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005799 EG Annotated Mild N#Cc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005804 EG Annotated Mild Oc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005805 EG Annotated Anodyne Oc1nccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005813 EG Annotated Anodyne Clc1cnc(Br)c(-c2nc3cc4cn[nH]c4cc3[nH]2)n1 ZINC000587005870 EG Annotated Anodyne Clc1cnc(Br)c(-c2nc3ccnc(Cl)c3[nH]2)n1 ZINC000587005908 EG Annotated Anodyne Oc1nccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587005935 EG Annotated Anodyne Cc1ccnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006179 EG Annotated Anodyne COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cn1 ZINC000587006225 EG Annotated Anodyne Clc1cncc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587006234 EG Annotated Anodyne Clc1cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587006250 EG Annotated Anodyne COc1nccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587006253 EG Annotated Anodyne Clc1ncc2nc(-c3cnn4cccc(Br)c34)nc-2[nH]1 ZINC000587006266 EG Annotated Anodyne COc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2n1 ZINC000587006326 EG Annotated Anodyne Cc1nccc2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006354 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 ZINC000587006412 EG Annotated Anodyne Clc1c[nH]c2nc(-c3cnn4cccc(Br)c34)nc-2n1 ZINC000587006440 EG Annotated Anodyne COc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1 ZINC000587006496 EG Annotated Anodyne N=c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c[nH]1 ZINC000587006507 EG Annotated Anodyne Clc1ncc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 ZINC000587006531 EG Annotated Anodyne COc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cn1 ZINC000587006552 EG Annotated Anodyne Clc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cn1 ZINC000587006703 EG Annotated Anodyne Cc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 ZINC000587006706 EG Annotated Anodyne Cc1cncc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587006714 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006730 EG Annotated Anodyne COc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 ZINC000587006742 EG Annotated Anodyne Clc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 ZINC000587006752 EG Annotated Anodyne Cc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 ZINC000587006782 EG Annotated Anodyne O=C1CCc2cc3[nH]c(-c4ccc(Br)o4)nc3cc2N1 ZINC000587006872 EG Annotated Anodyne Fc1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006876 EG Annotated Anodyne COc1nccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587006879 EG Annotated Anodyne Cc1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006889 EG Annotated Anodyne COc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1 ZINC000587006921 EG Annotated Anodyne Clc1ccnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587006946 EG Annotated Anodyne Nc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1N ZINC000587006953 EG Annotated Anodyne COc1nccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007016 EG Annotated Anodyne Clc1ncnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 ZINC000587007173 EG Annotated Anodyne Oc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007174 EG Annotated Anodyne Cc1nccc2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587007218 EG Annotated Anodyne Oc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007276 EG Annotated Anodyne FC(F)(F)c1ncc2[nH]c(-c3ccc(Br)o3)nc2n1 ZINC000587007314 EG Annotated Anodyne COc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 ZINC000587007367 EG Annotated Anodyne ClC[C@@H](Cl)c1nc2cc(I)cnc2[nH]1 ZINC000587007400 EG Annotated Reactive ClC[C@H](Cl)c1nc2cc(I)cnc2[nH]1 ZINC000587007403 EG Annotated Reactive Cc1cncc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007480 EG Annotated Anodyne Clc1ncnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587007486 EG Annotated Anodyne OCc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587007491 EG Annotated Anodyne Oc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587007499 EG Annotated Anodyne COc1cncc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007504 EG Annotated Anodyne Fc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587007645 EG Annotated Anodyne Brc1c[nH]c2nc(-c3ccc(Br)o3)nc-2n1 ZINC000587007657 EG Annotated Anodyne Cc1ccnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587007704 EG Annotated Anodyne Fc1cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587007725 EG Annotated Anodyne Clc1c[nH]c2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2n1 ZINC000587007748 EG Annotated Anodyne OCc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587007764 EG Annotated Anodyne Clc1ncc2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2[nH]1 ZINC000587007767 EG Annotated Anodyne Clc1ncnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587007768 EG Annotated Anodyne C[C@H](Br)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587007797 EG Annotated Reactive Cc1cc(F)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587007805 EG Annotated Anodyne COc1cncc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587007883 EG Annotated Anodyne Cc1cc(Br)c2[nH]c(C(C)(C)NC(=O)CCl)nc2c1 ZINC000587007957 EG Annotated Reactive Cc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008031 EG Annotated Anodyne Fc1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008137 EG Annotated Anodyne COc1cncc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587008231 EG Annotated Anodyne Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1F ZINC000587008245 EG Annotated Anodyne Cc1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587008254 EG Annotated Anodyne Oc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587008263 EG Annotated Anodyne Cc1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008273 EG Annotated Anodyne OCc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 ZINC000587008497 EG Annotated Anodyne COc1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008515 EG Annotated Anodyne COc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 ZINC000587008556 EG Annotated Anodyne Clc1c[nH]c2nc(-c3cccn4c(Br)cnc34)nc-2n1 ZINC000587008570 EG Annotated Anodyne COc1cncc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587008598 EG Annotated Anodyne Fc1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587008631 EG Annotated Anodyne Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c(C)n1 ZINC000587008805 EG Annotated Anodyne C[C@H](Br)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587008818 EG Annotated Reactive O=S(=O)(c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1)C(F)(F)F ZINC000587008929 EG Annotated Reactive O=S(=O)(c1ccc2nc([C@H](Cl)CCl)[nH]c2c1)C(F)(F)F ZINC000587008930 EG Annotated Reactive Cc1cc(Br)cc2nc(C(C)(C)NC(=O)CCl)[nH]c12 ZINC000587008946 EG Annotated Reactive Cc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br ZINC000587009126 EG Annotated Reactive Oc1nc(NCc2ccccc2)c2nc([C@H](Cl)CCl)nc-2[nH]1 ZINC000587009236 EG Annotated Reactive Oc1nc(NCc2ccccc2)c2nc([C@@H](Cl)CCl)nc-2[nH]1 ZINC000587009241 EG Annotated Reactive C[C@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587009304 EG Annotated Reactive Cc1c(Br)ccc2nc(C(C)(C)NC(=O)CCl)[nH]c12 ZINC000587009319 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587009358 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587009416 EG Annotated Reactive CC(C)Oc1cc2nc([C@H](N)CCl)[nH]c2cc1Br ZINC000587009468 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587009533 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587009541 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587009576 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587009764 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587009791 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587009816 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587009839 EG Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc([C@H](N)CCl)[nH]c3c2)cc1 ZINC000587009893 EG Annotated Reactive CC(C)(NC(=O)CCl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587010031 EG Annotated Reactive Cc1nc(Br)sc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587010611 EG Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587010630 EG Annotated Anodyne CCCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br ZINC000587010686 EG Annotated Reactive Cc1nc(C)c(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)s1 ZINC000587010689 EG Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587010812 EG Annotated Anodyne Cc1nc(Br)sc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587010858 EG Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587010900 EG Annotated Bother COc1nccc2nc(-c3sc(Br)nc3C)[nH]c12 ZINC000587010951 EG Annotated Anodyne COC(=O)c1ccc2nc(Cc3sc(C)nc3C)[nH]c2c1OC ZINC000587011048 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3sc(C)nc3C)[nH]c2c1 ZINC000587011088 EG Annotated Anodyne Cc1nc(Br)sc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587011292 EG Annotated Anodyne COc1cc2nc(-c3sc(Br)nc3C)[nH]c2cn1 ZINC000587011399 EG Annotated Anodyne Oc1nccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587011685 EG Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587012071 EG Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(O)nc(O)nc4[nH]3)c(C)s2)cc1 ZINC000587012112 EG Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3sc(C)nc3C)nc2cc1OC ZINC000587012174 EG Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587012273 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 ZINC000587012309 EG Annotated Anodyne Cc1nc(Br)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587012415 EG Annotated Bother COc1cncc2nc(-c3sc(Br)nc3C)[nH]c12 ZINC000587012493 EG Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587012593 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587013042 EG Annotated Anodyne Cc1nc(C)c(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 ZINC000587013101 EG Annotated Bother Cc1nc(C)c(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)s1 ZINC000587013129 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587013136 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccnc(Br)c2[nH]1 ZINC000587013148 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587013195 EG Annotated Anodyne N=c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c[nH]1 ZINC000587013294 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cncc(Br)c2[nH]1 ZINC000587013384 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(C(=O)OCC)cc2[nH]1 ZINC000587013476 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587013516 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(CC(=O)OCC)cc2[nH]1 ZINC000587013549 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(Br)nc2[nH]1 ZINC000587013562 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Br)cnc2[nH]1 ZINC000587013588 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(Br)ncc2[nH]1 ZINC000587013591 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587013671 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587013717 EG Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2c(Br)ccnc2[nH]1 ZINC000587013868 EG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(F)cnc3[nH]2)cs1 ZINC000587013871 EG Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587013987 EG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(O)cc3[nH]2)cs1 ZINC000587014191 EG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cccnc3[nH]2)cs1 ZINC000587014212 EG Annotated Anodyne Cc1ccnc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12 ZINC000587014236 EG Annotated Anodyne Cc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2n1 ZINC000587014300 EG Annotated Anodyne Cc1cncc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587014322 EG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cnccc3[nH]2)cs1 ZINC000587014451 EG Annotated Anodyne Cc1cnc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1 ZINC000587014476 EG Annotated Anodyne Cc1nccc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12 ZINC000587014532 EG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(O)c3[nH]2)cs1 ZINC000587014554 EG Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)ncc3[nH]2)s1 ZINC000587014590 EG Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)ncc3[nH]2)s1 ZINC000587014592 EG Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3c(C(=O)OC)ccnc3[nH]2)s1 ZINC000587014784 EG Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3c(C(=O)OC)ccnc3[nH]2)s1 ZINC000587014785 EG Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)s1 ZINC000587014791 EG Annotated Bother CCO[C@@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)s1 ZINC000587014792 EG Annotated Bother CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)OC)nc3[nH]2)s1 ZINC000587014838 EG Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)OC)nc3[nH]2)s1 ZINC000587014839 EG Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)s1 ZINC000587014879 EG Annotated Bother CCO[C@@H](C)c1nc(C)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)s1 ZINC000587014880 EG Annotated Bother CCc1ccc(-c2nc(-c3nc4c(O)nc(O)nc4[nH]3)cs2)cc1 ZINC000587015512 EG Annotated Anodyne Nc1ncnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 ZINC000587015698 EG Annotated Anodyne Cc1ccc(-c2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cs2)o1 ZINC000587015823 EG Annotated Anodyne O=C1CCc2cc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3cc2N1 ZINC000587016079 EG Annotated Anodyne O=C1CCc2cc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3cc2N1 ZINC000587016080 EG Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(O)nc(S)nc4[nH]3)cs2)o1 ZINC000587016117 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016123 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016124 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016130 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016131 EG Annotated Anodyne Oc1nc(O)c2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2n1 ZINC000587016156 EG Annotated Anodyne c1sc([C@H]2CCCO2)nc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587016267 EG Annotated Anodyne c1sc([C@@H]2CCCO2)nc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587016269 EG Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)o1 ZINC000587016469 EG Annotated Anodyne N=c1[nH]cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)nc-2[nH]1 ZINC000587016493 EG Annotated Anodyne Oc1nc2cc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3cc2[nH]1 ZINC000587016494 EG Annotated Anodyne Oc1nc2cc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3cc2[nH]1 ZINC000587016496 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016525 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016526 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016527 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016528 EG Annotated Anodyne Oc1nc2cc3nc(Cc4csc(-c5ccco5)n4)[nH]c3cc2[nH]1 ZINC000587016783 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587016786 EG Annotated Mild N#Cc1nc(Cl)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587016789 EG Annotated Mild Oc1nccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587016819 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587016824 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587016827 EG Annotated Anodyne COC(=O)c1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cn1 ZINC000587016828 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2n1 ZINC000587016874 EG Annotated Anodyne N=c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c[nH]1 ZINC000587016895 EG Annotated Anodyne FC(F)(F)c1ncc2nc(-c3csc([C@H]4CCCO4)n3)nc-2[nH]1 ZINC000587016908 EG Annotated Anodyne FC(F)(F)c1ncc2nc(-c3csc([C@@H]4CCCO4)n3)nc-2[nH]1 ZINC000587016912 EG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(O)n3)[nH]c21 ZINC000587016997 EG Annotated Clean Sc1nc(S)c2nc(Cc3csc(-c4ccco4)n3)[nH]c2n1 ZINC000587017026 EG Annotated Anodyne O=C(O)c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1F ZINC000587017238 EG Annotated Anodyne O=C(O)c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1F ZINC000587017240 EG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(O)n3)[nH]c12 ZINC000587017258 EG Annotated Bother COC(=O)c1ccnc2[nH]c(Cc3csc(-c4ccco4)n3)nc12 ZINC000587017296 EG Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cn1 ZINC000587017312 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587017377 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc12 ZINC000587017484 EG Annotated Anodyne Oc1nc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cs1 ZINC000587017505 EG Annotated Anodyne Nc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1N ZINC000587017662 EG Annotated Anodyne c1cc(N=c2[nH]c(-c3nc4ncc[nH]c-4n3)cs2)c2cccnc2c1 ZINC000587017707 EG Annotated Anodyne COC(=O)c1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587017801 EG Annotated Anodyne COC(=O)c1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587017802 EG Annotated Anodyne N=c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c[nH]1 ZINC000587017821 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 ZINC000587017836 EG Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587017846 EG Annotated Bother OCCc1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017853 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587018033 EG Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(O)n3)[nH]c12 ZINC000587018040 EG Annotated Bother Oc1nc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cs1 ZINC000587018108 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587018199 EG Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2n1 ZINC000587018238 EG Annotated Anodyne O=[N+]([O-])c1cncc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587018263 EG Annotated Bother c1cc(N=c2[nH]c(-c3nc4cnncc4[nH]3)cs2)c2cccnc2c1 ZINC000587018354 EG Annotated Anodyne Oc1nc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cs1 ZINC000587018362 EG Annotated Anodyne c1cc(N=c2[nH]c(-c3nc4cncnc4[nH]3)cs2)c2cccnc2c1 ZINC000587018374 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)cnc3[nH]2)cs1 ZINC000587019423 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cnccc3[nH]2)cs1 ZINC000587020031 EG Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(O)ncnc4[nH]3)c2)cs1 ZINC000587020199 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccnc3[nH]2)cs1 ZINC000587020203 EG Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cnnc(O)c4[nH]3)c2)cs1 ZINC000587020273 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2n1 ZINC000587020408 EG Annotated Anodyne N#Cc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1 ZINC000587020460 EG Annotated Mild COC(=O)c1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cn1 ZINC000587020466 EG Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cs1 ZINC000587020502 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccnc(O)c3[nH]2)cs1 ZINC000587020536 EG Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)cs1 ZINC000587020596 EG Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3c(S)nc(S)nc3[nH]2)cs1 ZINC000587020743 EG Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cs1 ZINC000587020744 EG Annotated Bother Cn1cc(-c2ncc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)s2)cn1 ZINC000587020747 EG Annotated Mild N=c1[nH]c(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cs1 ZINC000587020765 EG Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)cs1 ZINC000587020788 EG Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 ZINC000587020886 EG Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 ZINC000587020887 EG Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cs1 ZINC000587021014 EG Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cs1 ZINC000587021017 EG Annotated Bother Cc1c(Br)cnc2[nH]c(-c3cnc([C@H](C)O)s3)nc12 ZINC000587021071 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cnc([C@@H](C)O)s3)nc12 ZINC000587021074 EG Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)cs1 ZINC000587021080 EG Annotated Anodyne Cc1nc2[nH]c(-c3cnc([C@H](C)O)s3)nc2cc1Br ZINC000587021240 EG Annotated Anodyne Cc1nc2[nH]c(-c3cnc([C@@H](C)O)s3)nc2cc1Br ZINC000587021242 EG Annotated Anodyne N#Cc1ncc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1 ZINC000587021439 EG Annotated Mild C[C@H](O)c1ncc(-c2nc3cc(C#N)cc(Br)c3[nH]2)s1 ZINC000587021671 EG Annotated Mild C[C@@H](O)c1ncc(-c2nc3cc(C#N)cc(Br)c3[nH]2)s1 ZINC000587021673 EG Annotated Mild N=c1[nH]c(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cs1 ZINC000587021709 EG Annotated Bother N=c1[nH]c2nc(-c3cnc(Cc4ccccc4)s3)nc-2c(Cl)[nH]1 ZINC000587021715 EG Annotated Anodyne COc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1C ZINC000587021752 EG Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)cs1 ZINC000587021801 EG Annotated Bother Cc1cc2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2cc1[N+](=O)[O-] ZINC000587021828 EG Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3cnc(C#N)s3)nc2c1 ZINC000587021870 EG Annotated Mild COC(=O)c1ccnc2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc12 ZINC000587021977 EG Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1 ZINC000587022004 EG Annotated Anodyne C[C@H](O)c1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1 ZINC000587022006 EG Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cs1 ZINC000587022031 EG Annotated Anodyne COc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1OC ZINC000587022042 EG Annotated Anodyne COc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1F ZINC000587022063 EG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc12 ZINC000587022087 EG Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)s2)cn1 ZINC000587022097 EG Annotated Bother N#Cc1ncc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)s1 ZINC000587022144 EG Annotated Mild N=c1[nH]c(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cs1 ZINC000587022148 EG Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(Br)c(O)c3[nH]2)s1 ZINC000587022224 EG Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(Br)c(O)c3[nH]2)s1 ZINC000587022231 EG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2c1 ZINC000587022240 EG Annotated Anodyne N#Cc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1 ZINC000587022334 EG Annotated Mild Oc1nc(S)nc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 ZINC000587022396 EG Annotated Anodyne Cn1cc(-c2ncc(-c3nc4c(F)cnc(Cl)c4[nH]3)s2)cn1 ZINC000587022409 EG Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cs1 ZINC000587022504 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cnc([C@H](C)O)s3)nc2c1 ZINC000587022695 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cnc([C@@H](C)O)s3)nc2c1 ZINC000587022696 EG Annotated Anodyne C[C@H](O)c1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)s1 ZINC000587022768 EG Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)s1 ZINC000587022769 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)nccc3[nH]2)s1 ZINC000587022896 EG Annotated Anodyne CC1=C(c2ccc3nc(-c4cnc(Cl)s4)[nH]c3c2)NNC(=O)C1 ZINC000587023010 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1[N+](=O)[O-] ZINC000587023081 EG Annotated Bother COc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2n1 ZINC000587023087 EG Annotated Anodyne N=c1nc2nc(-c3ccc(-c4nccs4)s3)[nH]c2c(Cl)[nH]1 ZINC000587023297 EG Annotated Anodyne COc1cncc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587023312 EG Annotated Anodyne Clc1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)s1 ZINC000587023332 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3nccc(N)c3[nH]2)s1 ZINC000587023342 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(N)c(N)cc3[nH]2)s1 ZINC000587023411 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023412 EG Annotated Anodyne COc1nccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587023442 EG Annotated Anodyne N=c1nc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c(Cl)[nH]1 ZINC000587023997 EG Annotated Anodyne COc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cn1 ZINC000587024014 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 ZINC000587024124 EG Annotated Anodyne Cc1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587024255 EG Annotated Anodyne Cc1cccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587024274 EG Annotated Anodyne FC(F)(F)c1cc2nc(CSc3nnc(S)s3)[nH]c2cn1 ZINC000587024485 EG Annotated Anodyne Cc1cc2[nH]c(CSc3nnc(S)s3)nc2cc1[N+](=O)[O-] ZINC000587024958 EG Annotated Bother N[C@H](c1ccsc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587025004 EG Annotated Anodyne N[C@@H](c1ccsc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587025005 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nnc(S)s3)[nH]c2cc1F ZINC000587025022 EG Annotated Bother O=C1COc2cc3[nH]c(CSCc4ccsc4)nc3cc2N1 ZINC000587025039 EG Annotated Anodyne Fc1cnc(Cl)c2[nH]c(CSc3nnc(S)s3)nc12 ZINC000587025350 EG Annotated Anodyne Sc1nc(S)c2nc(CSCc3ccsc3)[nH]c2n1 ZINC000587025359 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587025372 EG Annotated Anodyne COc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1F ZINC000587025449 EG Annotated Anodyne N[C@H](c1ccsc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587025650 EG Annotated Anodyne N[C@@H](c1ccsc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587025655 EG Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](N)c3ccsc3)nc2c1 ZINC000587025809 EG Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H](N)c3ccsc3)nc2c1 ZINC000587025811 EG Annotated Mild N[C@H](c1ccsc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587025908 EG Annotated Anodyne N[C@@H](c1ccsc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587025910 EG Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587026080 EG Annotated Anodyne FC(F)(F)c1cnc2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587026193 EG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccsc3)[nH]c12 ZINC000587026234 EG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccsc3)[nH]c12 ZINC000587026236 EG Annotated Anodyne Fc1cc2nc(CSc3nnc(S)s3)[nH]c2c(F)c1F ZINC000587026315 EG Annotated Anodyne N#Cc1nc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2nc1C#N ZINC000587026383 EG Annotated Mild COc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1OC ZINC000587026444 EG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CSc3nnc(S)s3)nc12 ZINC000587026513 EG Annotated Anodyne c1cc(CSCc2nc3ccc(-n4cnnn4)cc3[nH]2)cs1 ZINC000587026524 EG Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587026587 EG Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(N)c(N)cc2[nH]1 ZINC000587027013 EG Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587027030 EG Annotated Bother Cc1oc(-c2ccsc2)nc1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587027122 EG Annotated Bother Cc1ncsc1CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587027363 EG Annotated Anodyne Cc1ncsc1CCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587027414 EG Annotated Anodyne N=c1[nH]c2nc(-c3ncsc3-c3ccccc3)nc-2c(Cl)[nH]1 ZINC000587027727 EG Annotated Anodyne O=C(NCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1cscn1 ZINC000587027767 EG Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587027854 EG Annotated Bother O=C(NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1cscn1 ZINC000587027872 EG Annotated Anodyne O=C(NCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cscn1 ZINC000587027924 EG Annotated Anodyne Cc1ncsc1CCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587028035 EG Annotated Anodyne c1ccc(-c2scnc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587028041 EG Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587028078 EG Annotated Bother Cc1ncsc1-c1c[nH]cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587028083 EG Annotated Anodyne Cc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1Br ZINC000587028202 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ncsc3-c3ccccc3)nc12 ZINC000587028327 EG Annotated Anodyne COC(=O)c1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cn1 ZINC000587028557 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3scnc3C)[nH]c2c1 ZINC000587028588 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2n1 ZINC000587028611 EG Annotated Anodyne Cc1c(Br)ccc2nc([C@H](N)Cc3cscn3)[nH]c12 ZINC000587028634 EG Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](N)Cc3cscn3)nc2c1 ZINC000587028637 EG Annotated Anodyne Cc1cc(Br)cc2nc([C@H](N)Cc3cscn3)[nH]c12 ZINC000587028808 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3c[nH]cc3-c3scnc3C)nc12 ZINC000587028818 EG Annotated Anodyne Cc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2n1 ZINC000587028846 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587028926 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587028936 EG Annotated Bother Cc1c(-c2nc3ccnc(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028991 EG Annotated Anodyne Cc1c(-c2nc3cc(O)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028999 EG Annotated Anodyne Cc1cnc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1 ZINC000587029044 EG Annotated Anodyne Cc1c(-c2nc3ncc(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029112 EG Annotated Anodyne Cc1c(-c2nc3c(C)cncc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029169 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587029251 EG Annotated Bother N[C@H](Cc1cscn1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587029268 EG Annotated Anodyne N#Cc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1C(F)(F)F ZINC000587029348 EG Annotated Mild N[C@H](Cc1cscn1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587029370 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587029598 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587029637 EG Annotated Anodyne Cc1c(-c2nc3c(O)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029645 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587029753 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587029814 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587029952 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587029967 EG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587030017 EG Annotated Anodyne Nc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1N ZINC000587030078 EG Annotated Anodyne Cc1c(-c2nc3nccc(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030141 EG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1OC ZINC000587031264 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1[N+](=O)[O-] ZINC000587031351 EG Annotated Bother Oc1ccc2scc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2c1 ZINC000587031464 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2n1 ZINC000587031572 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587031636 EG Annotated Anodyne FC(F)(F)c1ncc2nc(-c3csc4c3CCOC4)nc-2[nH]1 ZINC000587031651 EG Annotated Anodyne O=C1COc2cc3[nH]c(-c4csc5ccc(O)cc45)nc3cc2N1 ZINC000587031677 EG Annotated Anodyne CN(C)CCOc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587031685 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1OC ZINC000587032230 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3csc4ccc(O)cc34)nc12 ZINC000587032342 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587032524 EG Annotated Anodyne COC(=O)c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cn1 ZINC000587032628 EG Annotated Anodyne O=C1CCc2cc3nc(-c4csc5c4CCOC5)[nH]c3cc2N1 ZINC000587032629 EG Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)cc2C1 ZINC000587033612 EG Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)cc2C1 ZINC000587033613 EG Annotated Anodyne CC(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587033751 EG Annotated Anodyne O=C(NCc1nc2cc(Cl)ncc2[nH]1)c1cc2c(s1)CCC2 ZINC000587033927 EG Annotated Anodyne O=C(NCc1nc2cncc(Cl)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587033944 EG Annotated Anodyne O=C1CCc2cc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3cc2N1 ZINC000587034051 EG Annotated Anodyne O=C1CCc2cc3nc(C[C@H]4OCCc5ccsc54)[nH]c3cc2N1 ZINC000587034053 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034061 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034063 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034066 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034067 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034158 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034161 EG Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2C1 ZINC000587034184 EG Annotated Anodyne C[C@H]1CCc2sc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2C1 ZINC000587034185 EG Annotated Anodyne COc1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587034227 EG Annotated Anodyne Cc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1F ZINC000587034232 EG Annotated Anodyne O=C(NCc1nc2cc(F)cc(F)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034361 EG Annotated Anodyne Cc1cc(F)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1 ZINC000587034403 EG Annotated Anodyne O=C(O)c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1F ZINC000587034408 EG Annotated Anodyne O=C(O)c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1F ZINC000587034411 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587034432 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587034433 EG Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 ZINC000587034546 EG Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 ZINC000587034550 EG Annotated Anodyne Cc1c(F)ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587034686 EG Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2C1 ZINC000587034792 EG Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2C1 ZINC000587034794 EG Annotated Anodyne O=C(NCc1nc2c(Cl)ccnc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034827 EG Annotated Anodyne O=C(NCc1nc2cc(F)c(F)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034868 EG Annotated Anodyne COc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1C ZINC000587035048 EG Annotated Anodyne O=C(NCc1nc2ccc(F)c(F)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035049 EG Annotated Anodyne c1cc2c(s1)[C@H](Cc1nc3cc4c(cc3[nH]1)OCCO4)OCC2 ZINC000587035250 EG Annotated Anodyne c1cc2c(s1)[C@@H](Cc1nc3cc4c(cc3[nH]1)OCCO4)OCC2 ZINC000587035251 EG Annotated Anodyne O=C(NCc1nc2cc(Cl)cnc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035261 EG Annotated Anodyne O=C(NCc1nc2ccnc(Cl)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035269 EG Annotated Anodyne COC(=O)c1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587035371 EG Annotated Anodyne COC(=O)c1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587035374 EG Annotated Anodyne Oc1nc2cc3nc(C[C@H]4OCCc5ccsc54)[nH]c3cc2[nH]1 ZINC000587035405 EG Annotated Anodyne Oc1nc2cc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3cc2[nH]1 ZINC000587035409 EG Annotated Anodyne COc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587035479 EG Annotated Anodyne O=C(NCc1nc2ccc(Cl)nc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035585 EG Annotated Anodyne COc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1F ZINC000587035643 EG Annotated Anodyne Cc1cc2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c(C)n1 ZINC000587035671 EG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc12 ZINC000587035765 EG Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587035800 EG Annotated Anodyne COC(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587035802 EG Annotated Anodyne COc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1OC ZINC000587036024 EG Annotated Anodyne COc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1OC ZINC000587036026 EG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 ZINC000587036407 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4SCCc5sccc54)nc3cc2N1 ZINC000587036525 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4SCCc5sccc54)nc3cc2N1 ZINC000587036526 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2n1 ZINC000587036748 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2n1 ZINC000587036749 EG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cn1 ZINC000587036759 EG Annotated Anodyne COC(=O)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cn1 ZINC000587036760 EG Annotated Anodyne FC(F)(F)c1ncc2nc(C[C@H]3OCCc4ccsc43)nc-2[nH]1 ZINC000587037011 EG Annotated Anodyne FC(F)(F)c1ncc2nc(C[C@@H]3OCCc4ccsc43)nc-2[nH]1 ZINC000587037012 EG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc4c(s3)CCC4)nc12 ZINC000587037374 EG Annotated Anodyne Sc1nc(S)c2nc([C@@H]3SCCc4sccc43)[nH]c2n1 ZINC000587037718 EG Annotated Anodyne Sc1nc(S)c2nc([C@H]3SCCc4sccc43)[nH]c2n1 ZINC000587037724 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587037765 EG Annotated Mild N#Cc1nc(Cl)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587037770 EG Annotated Mild COC(=O)c1ccnc2[nH]c([C@@H]3SCCc4sccc43)nc12 ZINC000587037820 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3SCCc4sccc43)nc12 ZINC000587037821 EG Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)C1=O ZINC000587037982 EG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)C1=O ZINC000587037983 EG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(C)c(Cl)cc3[nH]2)C1=O ZINC000587037987 EG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C)c(Cl)cc3[nH]2)C1=O ZINC000587037993 EG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)C1=O ZINC000587038042 EG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)C1=O ZINC000587038043 EG Annotated Mild Cc1cnc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587038313 EG Annotated Anodyne Cc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2n1 ZINC000587038381 EG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)C1=O ZINC000587038424 EG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)C1=O ZINC000587038428 EG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)cc(C)c3[nH]2)C1=O ZINC000587038469 EG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)cc(C)c3[nH]2)C1=O ZINC000587038470 EG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(OC(C)C)cc3[nH]2)C1=O ZINC000587038506 EG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(OC(C)C)cc3[nH]2)C1=O ZINC000587038507 EG Annotated Mild CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C#N)c2[nH]1 ZINC000587038649 EG Annotated Mild c1ccc(C2SCCS2)c(OCc2nc3cnncc3[nH]2)c1 ZINC000587038719 EG Annotated Anodyne Cc1nccc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587038794 EG Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C#N)cc2[nH]1 ZINC000587038986 EG Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)cccc2[nH]1 ZINC000587039021 EG Annotated Anodyne Brc1nccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587039031 EG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)C1=O ZINC000587039070 EG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)C1=O ZINC000587039071 EG Annotated Mild Brc1cc2nc(Cc3csc4nccn34)[nH]c2cn1 ZINC000587039096 EG Annotated Anodyne C=CCc1cccc2nc(C[C@H]3SC(=O)N(CC=C)C3=O)[nH]c12 ZINC000587039199 EG Annotated Mild C=CCc1cccc2nc(C[C@@H]3SC(=O)N(CC=C)C3=O)[nH]c12 ZINC000587039339 EG Annotated Mild CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(CCO)cc2[nH]1 ZINC000587039461 EG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(Cl)c(C)c3[nH]2)C1=O ZINC000587039607 EG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(Cl)c(C)c3[nH]2)C1=O ZINC000587039608 EG Annotated Mild Cc1ccnc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587039616 EG Annotated Anodyne O=C(O)c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039748 EG Annotated Anodyne O=C(O)c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039749 EG Annotated Anodyne O=C(O)c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039750 EG Annotated Anodyne O=C(O)c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039751 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C#N)cccc2[nH]1 ZINC000587039855 EG Annotated Mild c1cn2c(Cc3nc4cc5c(cc4[nH]3)OCCCO5)csc2n1 ZINC000587039927 EG Annotated Anodyne Cc1cc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c(C)n1 ZINC000587039929 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3csc4nccn34)nc2c1 ZINC000587039940 EG Annotated Anodyne Cc1cncc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587039953 EG Annotated Anodyne Cc1nc2[nH]c(Cc3csc4nccn34)nc2cc1Br ZINC000587039955 EG Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587040240 EG Annotated Anodyne Oc1nncc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040349 EG Annotated Anodyne Brc1ccc2nc(Cc3csc4nccn34)[nH]c2n1 ZINC000587040402 EG Annotated Anodyne FC1(F)Oc2cc3nc(Cc4csc5nccn45)[nH]c3cc2O1 ZINC000587040449 EG Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587040450 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc4nccn34)[nH]c2cc1Cl ZINC000587040465 EG Annotated Bother Brc1cnc2[nH]c(Cc3csc4nccn34)nc2c1 ZINC000587040468 EG Annotated Anodyne Brc1ccnc2[nH]c(Cc3csc4nccn34)nc12 ZINC000587040473 EG Annotated Anodyne Oc1c(Br)ccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587040489 EG Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000587040683 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3csc4nccn34)nc12 ZINC000587040827 EG Annotated Anodyne Brc1cncc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587040880 EG Annotated Anodyne O=[N+]([O-])c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040900 EG Annotated Bother O=[N+]([O-])c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040902 EG Annotated Bother O=[N+]([O-])c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040903 EG Annotated Bother O=[N+]([O-])c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040905 EG Annotated Bother CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587041007 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587041106 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587041108 EG Annotated Anodyne Fc1cc2[nH]c(Cc3csc4nccn34)nc2cc1-n1cccn1 ZINC000587041118 EG Annotated Anodyne Fc1c(F)c(F)c2[nH]c(Cc3csc4nccn34)nc2c1F ZINC000587041165 EG Annotated Anodyne O=C1CSC[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)N1 ZINC000587041172 EG Annotated Anodyne O=C1CSC[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)N1 ZINC000587041175 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587041243 EG Annotated Mild CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587041247 EG Annotated Mild CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587041248 EG Annotated Bother CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587041250 EG Annotated Bother O=S(=O)(O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587041269 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587041278 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041396 EG Annotated Bother O=[N+]([O-])c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041397 EG Annotated Bother O=[N+]([O-])c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041399 EG Annotated Bother O=[N+]([O-])c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041401 EG Annotated Bother CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587041402 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587041432 EG Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587041490 EG Annotated Anodyne c1ccc(C[C@H]2N[C@@H](c3nc4cc5c(cc4[nH]3)OCO5)CS2)cc1 ZINC000587041684 EG Annotated Anodyne c1ccc(C[C@@H]2N[C@@H](c3nc4cc5c(cc4[nH]3)OCO5)CS2)cc1 ZINC000587041689 EG Annotated Anodyne c1ccc(C[C@@H]2N[C@H](c3nc4cc5c(cc4[nH]3)OCO5)CS2)cc1 ZINC000587041691 EG Annotated Anodyne c1ccc(C[C@H]2N[C@H](c3nc4cc5c(cc4[nH]3)OCO5)CS2)cc1 ZINC000587041693 EG Annotated Anodyne N#Cc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C#N ZINC000587041745 EG Annotated Mild N#Cc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C#N ZINC000587041746 EG Annotated Mild N#Cc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C#N ZINC000587041748 EG Annotated Mild N#Cc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C#N ZINC000587041751 EG Annotated Mild COc1cc(OC)c2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc2c1 ZINC000587041879 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc2c1 ZINC000587041881 EG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)cnc2[nH]1 ZINC000587042168 EG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)cnc2[nH]1 ZINC000587042170 EG Annotated Anodyne O=C1CSC[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)N1 ZINC000587042191 EG Annotated Anodyne O=C1CSC[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)N1 ZINC000587042197 EG Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 ZINC000587042284 EG Annotated Anodyne OCc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587042345 EG Annotated Anodyne OCc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587042346 EG Annotated Anodyne OCc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587042347 EG Annotated Anodyne OCc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587042348 EG Annotated Anodyne COc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1F ZINC000587042546 EG Annotated Anodyne COc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1F ZINC000587042547 EG Annotated Anodyne OCCc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587042698 EG Annotated Anodyne OCCc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587042699 EG Annotated Anodyne OCCc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587042700 EG Annotated Anodyne OCCc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587042701 EG Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)N1 ZINC000587042712 EG Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)N1 ZINC000587042713 EG Annotated Anodyne Oc1ncnc2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587042745 EG Annotated Anodyne O=C1CSc2ccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587042776 EG Annotated Bother COc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1F ZINC000587042780 EG Annotated Anodyne c1ccc(C2SCCS2)c(OCc2nc3cncnc3[nH]2)c1 ZINC000587042806 EG Annotated Anodyne O=C1CSc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2N1 ZINC000587042814 EG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(SC)cc3[nH]2)C1=O ZINC000587042892 EG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(SC)cc3[nH]2)C1=O ZINC000587042896 EG Annotated Mild Brc1c[nH]c2nc([C@H]3Cc4ccccc4S3)nc-2n1 ZINC000587042900 EG Annotated Anodyne Brc1c[nH]c2nc([C@@H]3Cc4ccccc4S3)nc-2n1 ZINC000587042901 EG Annotated Anodyne COc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1OC ZINC000587043007 EG Annotated Anodyne COc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1OC ZINC000587043009 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587043033 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587043034 EG Annotated Anodyne O=C1CSc2ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2N1 ZINC000587043228 EG Annotated Bother O=C1CSc2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc2N1 ZINC000587043288 EG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 ZINC000587043399 EG Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043415 EG Annotated Anodyne CC(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043424 EG Annotated Anodyne Cc1cc2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587043496 EG Annotated Bother Cc1cc2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587043497 EG Annotated Bother c1ccc(C[C@@H]2N[C@H](c3nc4cc5cn[nH]c5cc4[nH]3)CS2)cc1 ZINC000587043528 EG Annotated Anodyne c1ccc(C[C@@H]2N[C@@H](c3nc4cc5cn[nH]c5cc4[nH]3)CS2)cc1 ZINC000587043530 EG Annotated Anodyne c1ccc(C[C@H]2N[C@H](c3nc4cc5cn[nH]c5cc4[nH]3)CS2)cc1 ZINC000587043532 EG Annotated Anodyne c1ccc(C[C@H]2N[C@@H](c3nc4cc5cn[nH]c5cc4[nH]3)CS2)cc1 ZINC000587043534 EG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccnc2[nH]1 ZINC000587043562 EG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccnc2[nH]1 ZINC000587043563 EG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000587043594 EG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cnccc2[nH]1 ZINC000587043595 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587043630 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587043631 EG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587043710 EG Annotated Bother CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587043711 EG Annotated Bother O=C1CSc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2N1 ZINC000587043744 EG Annotated Anodyne Cc1cc2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2cc1[N+](=O)[O-] ZINC000587043745 EG Annotated Bother COc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1OC ZINC000587043777 EG Annotated Anodyne N=c1[nH]ccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587043846 EG Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)N1 ZINC000587043894 EG Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)N1 ZINC000587043899 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 ZINC000587044169 EG Annotated Mild c1ccc(C2SCCS2)c(OCc2nc3ncc[nH]c-3n2)c1 ZINC000587044387 EG Annotated Anodyne N=c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2c[nH]1 ZINC000587044388 EG Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc2N1 ZINC000587044400 EG Annotated Anodyne O=C1CSC[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)N1 ZINC000587044431 EG Annotated Anodyne O=C1CSC[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)N1 ZINC000587044432 EG Annotated Anodyne N#Cc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1C#N ZINC000587044462 EG Annotated Mild COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(O)ncnc2[nH]1 ZINC000587044503 EG Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncnc2[nH]1 ZINC000587044624 EG Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cnncc2[nH]1 ZINC000587044664 EG Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ncc[nH]c-2n1 ZINC000587044675 EG Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587044683 EG Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cnnc(O)c2[nH]1 ZINC000587044794 EG Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587044912 EG Annotated Anodyne COc1cc(-c2nc3c(N)ncnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045649 EG Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(Cl)c1O ZINC000587045677 EG Annotated Anodyne COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Cl)c1O ZINC000587045696 EG Annotated Anodyne COc1cc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587045868 EG Annotated Anodyne COc1cc(-c2nc3c(O)ncnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046144 EG Annotated Anodyne COc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(Cl)c1O ZINC000587046212 EG Annotated Anodyne COc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(Cl)c1O ZINC000587046572 EG Annotated Anodyne COc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(Cl)c1O ZINC000587046573 EG Annotated Anodyne COc1cc(-c2nc3cnnc(O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046655 EG Annotated Anodyne NC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587047120 EG Annotated Bother NC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587047122 EG Annotated Bother NC(=O)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047550 EG Annotated Bother NC(=O)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587047551 EG Annotated Bother N=c1nc(O)c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2[nH]1 ZINC000587047997 EG Annotated Anodyne N=c1nc(O)c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2[nH]1 ZINC000587047999 EG Annotated Anodyne N=c1nc(O)c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2[nH]1 ZINC000587048001 EG Annotated Anodyne N=c1nc(O)c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2[nH]1 ZINC000587048002 EG Annotated Anodyne Oc1nc(O)c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000587048479 EG Annotated Anodyne Oc1nc(O)c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000587048485 EG Annotated Anodyne Oc1nc(O)c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000587048489 EG Annotated Anodyne Oc1nc(O)c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000587048491 EG Annotated Anodyne Nc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1N ZINC000587048892 EG Annotated Bother Nc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1N ZINC000587048893 EG Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3c(O)nc(S)nc3[nH]2)ccc1Cl ZINC000587050883 EG Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3c(O)nc(S)nc3[nH]2)ccc1Cl ZINC000587050888 EG Annotated Bother N=c1[nH]c2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2c(Cl)[nH]1 ZINC000587051145 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2c1 ZINC000587051187 EG Annotated Anodyne COc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1F ZINC000587051200 EG Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587051206 EG Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587051210 EG Annotated Bother CC(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587051534 EG Annotated Anodyne COc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1OC ZINC000587051950 EG Annotated Anodyne Cc1cc2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2cc1[N+](=O)[O-] ZINC000587051988 EG Annotated Bother COc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1C ZINC000587052002 EG Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587052197 EG Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587052350 EG Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587052406 EG Annotated Bother N#Cc1nc(Cl)cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 ZINC000587052512 EG Annotated Mild N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587052590 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc12 ZINC000587052767 EG Annotated Anodyne CCc1cc(OCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1Cl ZINC000587052815 EG Annotated Anodyne N#Cc1nc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2nc1C#N ZINC000587052991 EG Annotated Mild CCc1cc(OCc2nc3c(O)nc(S)nc3[nH]2)ccc1Cl ZINC000587053010 EG Annotated Anodyne Oc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(Cl)c1 ZINC000587054173 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1OC ZINC000587054548 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587055547 EG Annotated Bother N[C@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccccc1Cl ZINC000587055957 EG Annotated Anodyne N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccccc1Cl ZINC000587055960 EG Annotated Anodyne N[C@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1Cl ZINC000587057077 EG Annotated Anodyne N[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1Cl ZINC000587057087 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c12 ZINC000587057685 EG Annotated Mild N#Cc1nc(Cl)cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c12 ZINC000587057705 EG Annotated Mild COc1cc(OC)c2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2c1 ZINC000587057768 EG Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H](N)c3ccccc3Cl)nc2c1 ZINC000587057773 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587057816 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587057823 EG Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587057861 EG Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587057865 EG Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587058007 EG Annotated Anodyne O=C1COc2cc3[nH]c(CCc4ccccc4Cl)nc3cc2N1 ZINC000587058082 EG Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587058086 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 ZINC000587058089 EG Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587058219 EG Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587058221 EG Annotated Anodyne N[C@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccccc1Cl ZINC000587058255 EG Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccccc1Cl ZINC000587058258 EG Annotated Anodyne N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1Cl ZINC000587058268 EG Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1Cl ZINC000587058269 EG Annotated Anodyne N[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccccc1Cl ZINC000587058346 EG Annotated Anodyne N[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccccc1Cl ZINC000587058348 EG Annotated Anodyne N[C@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccccc1Cl ZINC000587058350 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1 ZINC000587058351 EG Annotated Anodyne O[C@@H](c1nc2cncc(Br)c2[nH]1)c1ccccc1Cl ZINC000587058359 EG Annotated Anodyne O[C@H](c1nc2cncc(Br)c2[nH]1)c1ccccc1Cl ZINC000587058362 EG Annotated Anodyne O[C@@H](c1nc2cc(Br)cnc2[nH]1)c1ccccc1Cl ZINC000587058363 EG Annotated Anodyne O[C@H](c1nc2cc(Br)cnc2[nH]1)c1ccccc1Cl ZINC000587058364 EG Annotated Anodyne O[C@@H](c1nc2ccnc(Br)c2[nH]1)c1ccccc1Cl ZINC000587058478 EG Annotated Anodyne O[C@H](c1nc2ccnc(Br)c2[nH]1)c1ccccc1Cl ZINC000587058480 EG Annotated Anodyne N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1Cl ZINC000587058588 EG Annotated Anodyne N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1Cl ZINC000587058590 EG Annotated Anodyne COC(=O)c1cccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c12 ZINC000587058643 EG Annotated Anodyne COC(=O)c1cccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c12 ZINC000587058645 EG Annotated Anodyne O[C@@H](c1nc2ccc(Br)nc2[nH]1)c1ccccc1Cl ZINC000587058660 EG Annotated Anodyne O[C@H](c1nc2ccc(Br)nc2[nH]1)c1ccccc1Cl ZINC000587058661 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c12 ZINC000587059003 EG Annotated Mild N[C@@H](Cc1ccccc1Cl)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587059007 EG Annotated Anodyne O=[N+]([O-])c1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587059008 EG Annotated Bother O=[N+]([O-])c1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587059011 EG Annotated Bother O=C1CCc2cc3nc([C@@H](O)c4ccccc4Cl)[nH]c3cc2N1 ZINC000587059268 EG Annotated Anodyne O=C1CCc2cc3nc([C@H](O)c4ccccc4Cl)[nH]c3cc2N1 ZINC000587059269 EG Annotated Anodyne O[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1Cl ZINC000587059304 EG Annotated Anodyne O[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1Cl ZINC000587059305 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2c1 ZINC000587059347 EG Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587059404 EG Annotated Anodyne O[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1Cl ZINC000587059528 EG Annotated Anodyne O[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1Cl ZINC000587059535 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 ZINC000587059568 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1OC ZINC000587059649 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1OC ZINC000587059650 EG Annotated Anodyne O[C@@H](c1nc2cc(Br)ncc2[nH]1)c1ccccc1Cl ZINC000587059736 EG Annotated Anodyne O[C@H](c1nc2cc(Br)ncc2[nH]1)c1ccccc1Cl ZINC000587059737 EG Annotated Anodyne COC(=O)c1cccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c12 ZINC000587059817 EG Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587059848 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587059955 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587059956 EG Annotated Anodyne O[C@@H](c1nc2c(Br)ccnc2[nH]1)c1ccccc1Cl ZINC000587059967 EG Annotated Anodyne O[C@H](c1nc2c(Br)ccnc2[nH]1)c1ccccc1Cl ZINC000587059968 EG Annotated Anodyne Clc1ccccc1NCc1nc2nc(Br)c[nH]c-2n1 ZINC000587060124 EG Annotated Anodyne Cc1nccc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc12 ZINC000587060686 EG Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3cccc(O)c3[nH]2)c[nH]1 ZINC000587060834 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc12 ZINC000587060845 EG Annotated Anodyne Cc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2n1 ZINC000587060950 EG Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cncnc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061042 EG Annotated Anodyne Cc1cnc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc2c1 ZINC000587061278 EG Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587061298 EG Annotated Mild CC[C@H](Oc1ccccc1Cl)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587061301 EG Annotated Mild N#Cc1nc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2nc1C#N ZINC000587061317 EG Annotated Mild O=C1COc2cc3[nH]c(CNc4ccccc4Cl)nc3cc2N1 ZINC000587061720 EG Annotated Anodyne Cc1cncc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 ZINC000587061734 EG Annotated Anodyne Cc1ccnc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc12 ZINC000587061777 EG Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(F)cnc3[nH]2)c[nH]1 ZINC000587061814 EG Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587062497 EG Annotated Reactive CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587062500 EG Annotated Reactive CCN1C(=O)C[C@@H](c2nc3cnncc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062555 EG Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ncc[nH]c-3n2)[C@@H]1c1ccccc1Cl ZINC000587062624 EG Annotated Anodyne N=c1[nH]c2nc(-c3coc(-c4ccccc4Cl)n3)nc-2c(Cl)[nH]1 ZINC000587063242 EG Annotated Anodyne COc1cnc(-c2nc3c(Br)cncc3[nH]2)cc1Cl ZINC000587064251 EG Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)c(C)c1Cl ZINC000587064383 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1Cl ZINC000587064486 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cncc(Br)c3[nH]2)c1Cl ZINC000587064516 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(CO)cc2[nH]1 ZINC000587064587 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3ccnc(Br)c3[nH]2)c1Cl ZINC000587064626 EG Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2c1OC ZINC000587064693 EG Annotated Anodyne COc1cnc(-c2nc3cnc(Br)cc3[nH]2)cc1Cl ZINC000587064710 EG Annotated Anodyne COc1cnc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1Cl ZINC000587064714 EG Annotated Anodyne COc1cnc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1Cl ZINC000587064728 EG Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Cl)c(OC)cn3)[nH]c2cc1OC ZINC000587064737 EG Annotated Anodyne COc1cnc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1Cl ZINC000587064752 EG Annotated Bother CCOc1n[nH]c(-c2nc3ccc(Br)nc3[nH]2)c1Cl ZINC000587064802 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)ncc3[nH]2)c1Cl ZINC000587064805 EG Annotated Anodyne N=c1nc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c[nH]1 ZINC000587064899 EG Annotated Anodyne COc1cnc(-c2nc3nc(Br)ccc3[nH]2)cc1Cl ZINC000587064913 EG Annotated Anodyne COc1cnc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1Cl ZINC000587064928 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)cnc3[nH]2)c1Cl ZINC000587064950 EG Annotated Anodyne COc1cnc(-c2nc3nccc(Br)c3[nH]2)cc1Cl ZINC000587065115 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1Cl ZINC000587065205 EG Annotated Bother Cc1nn(-c2cccc(-c3nc4cnnc(O)c4[nH]3)c2)c(C)c1Cl ZINC000587065220 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1Cl ZINC000587065282 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1Cl ZINC000587065326 EG Annotated Anodyne COc1cnc(-c2nc3c(Br)nccc3[nH]2)cc1Cl ZINC000587065330 EG Annotated Anodyne COc1cnc(-c2nc3ncc(Br)cc3[nH]2)cc1Cl ZINC000587065370 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Br)ccnc3[nH]2)c1Cl ZINC000587065374 EG Annotated Anodyne COc1cnc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1Cl ZINC000587065385 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3[nH]nc(OCC)c3Cl)[nH]c2c1 ZINC000587065403 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C#N)cc2[nH]1 ZINC000587065419 EG Annotated Mild Nc1ncnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 ZINC000587065445 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(O)cc2[nH]1 ZINC000587065449 EG Annotated Anodyne CC1=C(c2ccc3nc(-c4ncccc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587065477 EG Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)c(C)c1Cl ZINC000587065620 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)cnc2[nH]1 ZINC000587065766 EG Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(N)ncnc4[nH]3)c2)c(C)c1Cl ZINC000587065775 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1Cl ZINC000587065789 EG Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(O)ncnc4[nH]3)c2)c(C)c1Cl ZINC000587065791 EG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1Cl ZINC000587065793 EG Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587065953 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cncc(OC)c2[nH]1 ZINC000587066326 EG Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587066351 EG Annotated Mild CNc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587066562 EG Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587066576 EG Annotated Mild COc1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2n1 ZINC000587066738 EG Annotated Anodyne COc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cn1 ZINC000587066752 EG Annotated Anodyne COc1cc(Cl)ccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587066846 EG Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)ncnc2[nH]1 ZINC000587066860 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccnc(OC)c2[nH]1 ZINC000587066880 EG Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)nncc2[nH]1 ZINC000587066881 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(C#N)c2[nH]1 ZINC000587066910 EG Annotated Mild CNc1cc(Cl)ccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587066964 EG Annotated Anodyne COC(=O)c1cc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2cn1 ZINC000587066982 EG Annotated Mild COc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587067031 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(C#Cc3ccc(Cl)cc3C)nc12 ZINC000587067067 EG Annotated Mild Cc1cc(Cl)ccc1O[C@H](C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587067160 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)ccnc2[nH]1 ZINC000587067261 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)nccc2[nH]1 ZINC000587067276 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C)nc2[nH]1 ZINC000587067285 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)cnc2[nH]1 ZINC000587067297 EG Annotated Anodyne COC(=O)c1ccc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2n1 ZINC000587067298 EG Annotated Mild COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(O)c2[nH]1 ZINC000587067299 EG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cncc(C)c2[nH]1 ZINC000587067415 EG Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587067428 EG Annotated Mild Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587067488 EG Annotated Reactive Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587067603 EG Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587067617 EG Annotated Mild Oc1nc(S)nc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587067954 EG Annotated Anodyne N=c1nc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c(Cl)[nH]1 ZINC000587068183 EG Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2nc(C(F)(F)F)ncc2[nH]1 ZINC000587068489 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587068806 EG Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587068811 EG Annotated Mild N#Cc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C#N ZINC000587068824 EG Annotated Mild N#Cc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C#N ZINC000587068825 EG Annotated Mild C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587068989 EG Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587068998 EG Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 ZINC000587069093 EG Annotated Anodyne N[C@H](N=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 ZINC000587069095 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587069185 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587069192 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587069272 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587069273 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587069290 EG Annotated Bother NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587069291 EG Annotated Bother COC(=O)c1cccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587069358 EG Annotated Anodyne COC(=O)c1cccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12 ZINC000587069359 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587069777 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587069782 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587069787 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587069788 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587069818 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587069825 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587069952 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587069953 EG Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2cc(F)c(C(=O)O)cc2[nH]1 ZINC000587070333 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587070593 EG Annotated Bother NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587070594 EG Annotated Bother NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587071133 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587071136 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587071185 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587071193 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587071195 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587071197 EG Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587071203 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587071242 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587071243 EG Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587071262 EG Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587071263 EG Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2cc3[nH]c(O)nc3cc2[nH]1 ZINC000587071292 EG Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(C(=O)O)cc(F)cc2[nH]1 ZINC000587072639 EG Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587072731 EG Annotated Anodyne NNC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587072970 EG Annotated Reactive N=c1[nH]c2nc(C3(Cc4ccc(Cl)cc4)CC3)nc-2c(Cl)[nH]1 ZINC000587073237 EG Annotated Anodyne N#Cc1nc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2nc1C#N ZINC000587073518 EG Annotated Mild N#Cc1nc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2nc1C#N ZINC000587074127 EG Annotated Mild NNC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587074220 EG Annotated Reactive Cc1c(-c2nc3cc(F)cnc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074334 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc12 ZINC000587074456 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc12 ZINC000587074716 EG Annotated Anodyne Oc1nncc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587074816 EG Annotated Anodyne Oc1nncc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587074817 EG Annotated Anodyne Oc1ncnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587074871 EG Annotated Anodyne Oc1ncnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587074872 EG Annotated Anodyne N#Cc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1C#N ZINC000587075002 EG Annotated Mild COc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 ZINC000587075038 EG Annotated Anodyne COc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 ZINC000587075040 EG Annotated Anodyne OCc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075079 EG Annotated Anodyne OCc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587075082 EG Annotated Anodyne COc1cncc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587075137 EG Annotated Anodyne COc1cncc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587075138 EG Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(O)ncnc2[nH]1 ZINC000587075448 EG Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(O)nncc2[nH]1 ZINC000587075483 EG Annotated Anodyne COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 ZINC000587075641 EG Annotated Anodyne COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1 ZINC000587075642 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587076014 EG Annotated Bother O=[N+]([O-])c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587076032 EG Annotated Bother Clc1ccc(-n2cc(-c3nc4cc5c(cc4[nH]3)OCO5)nn2)cc1 ZINC000587076049 EG Annotated Anodyne Nc1ccnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 ZINC000587076094 EG Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4c(Cl)ncnc4[nH]3)ON2)cc1 ZINC000587076112 EG Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4c(Cl)ncnc4[nH]3)ON2)cc1 ZINC000587076118 EG Annotated Anodyne OCCc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076181 EG Annotated Anodyne OCCc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587076182 EG Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4cccnc4[nH]3)o2)cc1 ZINC000587076183 EG Annotated Anodyne Cc1c(-c2nc3ccnc(O)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076218 EG Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccnc(O)c2[nH]1 ZINC000587076306 EG Annotated Anodyne N=c1[nH]ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587076337 EG Annotated Anodyne N=c1[nH]ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587076339 EG Annotated Anodyne COc1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587076463 EG Annotated Anodyne O=[N+]([O-])c1cncc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587076567 EG Annotated Bother O=[N+]([O-])c1cncc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587076574 EG Annotated Bother Clc1ccc(-c2nnc(CCc3nc4cnccc4[nH]3)o2)cc1 ZINC000587076743 EG Annotated Anodyne N=c1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c[nH]1 ZINC000587076778 EG Annotated Anodyne Oc1nc(O)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2n1 ZINC000587076794 EG Annotated Anodyne O=C(O)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587076858 EG Annotated Anodyne N=c1[nH]c2nc(C3(c4ccc(Cl)cc4)CCC3)nc-2c(Cl)[nH]1 ZINC000587076967 EG Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cnc(Cl)[nH]c-4n3)ON2)cc1 ZINC000587076975 EG Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cnc(Cl)[nH]c-4n3)ON2)cc1 ZINC000587076976 EG Annotated Anodyne Oc1nccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587077000 EG Annotated Anodyne Nc1ncnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 ZINC000587077069 EG Annotated Anodyne COc1nccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077260 EG Annotated Anodyne COc1nccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587077261 EG Annotated Anodyne N=c1[nH]ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 ZINC000587077459 EG Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077539 EG Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077540 EG Annotated Bother Clc1ccc(C2=C[C@@H](c3nc4nc(Cl)c[nH]c-4n3)ON2)cc1 ZINC000587077769 EG Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4nc(Cl)c[nH]c-4n3)ON2)cc1 ZINC000587077770 EG Annotated Anodyne N=c1[nH]cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc-2[nH]1 ZINC000587078196 EG Annotated Clean Clc1ccc2ccn(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c2c1 ZINC000587078830 EG Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(O)c2[nH]1 ZINC000587078846 EG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(O)c2[nH]1 ZINC000587078847 EG Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(C(=O)OC)ccc3[nH]2)n1 ZINC000587078932 EG Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3nc(C(=O)OC)ccc3[nH]2)n1 ZINC000587078937 EG Annotated Anodyne COc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cn1 ZINC000587079010 EG Annotated Anodyne COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cn1 ZINC000587079013 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](C)n3cc(Cl)cn3)nc12 ZINC000587079050 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)n3cc(Cl)cn3)nc12 ZINC000587079052 EG Annotated Anodyne C[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587079071 EG Annotated Anodyne C[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc(Cl)cn1 ZINC000587079072 EG Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n1 ZINC000587079081 EG Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n1 ZINC000587079082 EG Annotated Anodyne COc1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 ZINC000587079119 EG Annotated Anodyne COc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 ZINC000587079120 EG Annotated Anodyne COC(=O)c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cn1 ZINC000587079132 EG Annotated Anodyne C[C@@H](c1nc2cncc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587079185 EG Annotated Anodyne C[C@H](c1nc2cncc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587079190 EG Annotated Anodyne N=c1[nH]c2nc(Cn3ccc4ccc(Cl)cc43)nc-2c(Cl)[nH]1 ZINC000587079237 EG Annotated Anodyne C[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc(Cl)cn1 ZINC000587079328 EG Annotated Anodyne C[C@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc(Cl)cn1 ZINC000587079331 EG Annotated Anodyne C[C@@H](c1nc2cc(Br)ncc2[nH]1)n1cc(Cl)cn1 ZINC000587079414 EG Annotated Anodyne C[C@H](c1nc2cc(Br)ncc2[nH]1)n1cc(Cl)cn1 ZINC000587079416 EG Annotated Anodyne Nc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1N ZINC000587079519 EG Annotated Anodyne Nc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1N ZINC000587079520 EG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CO)cc2[nH]1 ZINC000587079564 EG Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CO)cc2[nH]1 ZINC000587079565 EG Annotated Anodyne COC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2n1 ZINC000587079645 EG Annotated Anodyne Oc1nc2cc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2[nH]1 ZINC000587079648 EG Annotated Anodyne Oc1nc2cc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2[nH]1 ZINC000587079650 EG Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cnc(C(=O)OC)cc3[nH]2)n1 ZINC000587079712 EG Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cnc(C(=O)OC)cc3[nH]2)n1 ZINC000587079714 EG Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000587079716 EG Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000587079721 EG Annotated Anodyne C[C@@H](c1nc2ccc(Br)nc2[nH]1)n1cc(Cl)cn1 ZINC000587079745 EG Annotated Anodyne C[C@H](c1nc2ccc(Br)nc2[nH]1)n1cc(Cl)cn1 ZINC000587079747 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc12 ZINC000587079847 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc12 ZINC000587079852 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc12 ZINC000587079925 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2c1 ZINC000587079951 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)n3cc(Cl)cn3)nc2c1 ZINC000587079956 EG Annotated Anodyne C[C@@H](c1nc2c(Br)ccnc2[nH]1)n1cc(Cl)cn1 ZINC000587079957 EG Annotated Anodyne C[C@H](c1nc2c(Br)ccnc2[nH]1)n1cc(Cl)cn1 ZINC000587079958 EG Annotated Anodyne COc1cncc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587080057 EG Annotated Anodyne COc1cncc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587080058 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc12 ZINC000587080068 EG Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc(Cl)cn1 ZINC000587080072 EG Annotated Anodyne C[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc(Cl)cn1 ZINC000587080073 EG Annotated Anodyne Cc1nc2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2cc1Br ZINC000587080093 EG Annotated Anodyne Cc1nc2[nH]c([C@H](C)n3cc(Cl)cn3)nc2cc1Br ZINC000587080094 EG Annotated Anodyne C[C@@H](c1nc2cc(Br)cnc2[nH]1)n1cc(Cl)cn1 ZINC000587080112 EG Annotated Anodyne C[C@H](c1nc2cc(Br)cnc2[nH]1)n1cc(Cl)cn1 ZINC000587080113 EG Annotated Anodyne O=C(CCCc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(Cl)cn1 ZINC000587080228 EG Annotated Bother CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)n1 ZINC000587080326 EG Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)n1 ZINC000587080335 EG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)ncnc2[nH]1 ZINC000587080401 EG Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)ncnc2[nH]1 ZINC000587080518 EG Annotated Anodyne C[C@@H](c1nc2ccnc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587080555 EG Annotated Anodyne C[C@H](c1nc2ccnc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587080556 EG Annotated Anodyne COc1nccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587080562 EG Annotated Anodyne COc1nccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587080563 EG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587080605 EG Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587080608 EG Annotated Anodyne Sc1nc(S)c2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2n1 ZINC000587080720 EG Annotated Anodyne Sc1nc(S)c2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2n1 ZINC000587080726 EG Annotated Anodyne C[C@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587080752 EG Annotated Anodyne C[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587080753 EG Annotated Anodyne Nc1ncnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 ZINC000587080830 EG Annotated Clean COc1cncc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 ZINC000587080979 EG Annotated Anodyne O=C(CCCc1nc2ccc(CCO)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587080998 EG Annotated Anodyne Clc1cnn2c(-c3nc4ncncc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081018 EG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cn1 ZINC000587081109 EG Annotated Anodyne COC(=O)c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cn1 ZINC000587081110 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4Cc5cc(Cl)ccc5O4)nc3cc2N1 ZINC000587081126 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4Cc5cc(Cl)ccc5O4)nc3cc2N1 ZINC000587081127 EG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587081250 EG Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587081251 EG Annotated Anodyne Clc1cnn2c(-c3nc4ncc[nH]c-4n3)cc(-c3ccccc3)nc12 ZINC000587081289 EG Annotated Anodyne Clc1cnn2c(-c3nc4cnncc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081347 EG Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cnc2[nH]1 ZINC000587081351 EG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cnc2[nH]1 ZINC000587081352 EG Annotated Anodyne COc1nccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 ZINC000587081378 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2n1 ZINC000587081485 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2n1 ZINC000587081487 EG Annotated Anodyne O=C(CCCc1nc2ccc(CO)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081649 EG Annotated Anodyne COc1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2n1 ZINC000587081717 EG Annotated Anodyne O=C(CCCc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Cl)cn1 ZINC000587081890 EG Annotated Anodyne O=C(CCCc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Cl)cn1 ZINC000587081893 EG Annotated Anodyne O=C(CCCc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cn1 ZINC000587081900 EG Annotated Bother COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cn1 ZINC000587081923 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c1 ZINC000587082382 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c1 ZINC000587082459 EG Annotated Anodyne O=C(CCCc1nc2c(Cl)ncnc2[nH]1)c1ccc(Cl)cn1 ZINC000587082461 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 ZINC000587082514 EG Annotated Anodyne Nc1ncnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 ZINC000587082660 EG Annotated Anodyne Oc1nccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082922 EG Annotated Anodyne Oc1nc(O)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2n1 ZINC000587083128 EG Annotated Anodyne N=c1[nH]cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc-2[nH]1 ZINC000587083499 EG Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(Cl)n1 ZINC000587083577 EG Annotated Anodyne COc1ccc(-c2nc3cncc(Br)c3[nH]2)c(Cl)n1 ZINC000587083659 EG Annotated Anodyne COc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(Cl)n1 ZINC000587083660 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(OC)nc3Cl)[nH]c2c1 ZINC000587083701 EG Annotated Anodyne COc1ccc(-c2nc3cc(Br)cnc3[nH]2)c(Cl)n1 ZINC000587083729 EG Annotated Anodyne COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(Cl)n1 ZINC000587083733 EG Annotated Anodyne COc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(Cl)n1 ZINC000587083740 EG Annotated Anodyne Oc1nc(O)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2n1 ZINC000587083812 EG Annotated Anodyne COC(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587083922 EG Annotated Anodyne Clc1ccc(-c2nc3nc(Br)c[nH]c-3n2)nc1Cl ZINC000587083951 EG Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(Cl)n1 ZINC000587083980 EG Annotated Anodyne COc1ccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c(Cl)n1 ZINC000587084026 EG Annotated Anodyne COc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(Cl)n1 ZINC000587084039 EG Annotated Bother COC(=O)c1ccc2nc(-c3ccc(OC)nc3Cl)[nH]c2c1OC ZINC000587084062 EG Annotated Anodyne COc1ccc(-c2nc3ccc(Br)nc3[nH]2)c(Cl)n1 ZINC000587084070 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587084134 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587084135 EG Annotated Anodyne Clc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)n1 ZINC000587084378 EG Annotated Anodyne Sc1nc(S)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2n1 ZINC000587084412 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc12 ZINC000587084471 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587084508 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(Cl)nc4ccccc34)nc12 ZINC000587084624 EG Annotated Anodyne Cc1ccnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587084771 EG Annotated Anodyne FC(F)(F)c1ncc2nc(C3(c4cccc(Cl)n4)CC3)nc-2[nH]1 ZINC000587084796 EG Annotated Anodyne Clc1nccnc1N1CCC(c2nc3cncc(Cl)c3[nH]2)CC1 ZINC000587084829 EG Annotated Anodyne Clc1cc2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2cn1 ZINC000587084891 EG Annotated Anodyne Cc1nccc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587084892 EG Annotated Anodyne Clc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 ZINC000587084899 EG Annotated Anodyne N#Cc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084903 EG Annotated Mild Oc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084980 EG Annotated Anodyne Clc1cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587084991 EG Annotated Anodyne Cc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 ZINC000587085033 EG Annotated Anodyne O=C1COc2cc3nc(-c4ccc(Cl)c(Cl)n4)[nH]c3cc2N1 ZINC000587085087 EG Annotated Anodyne Cc1cc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c(C)n1 ZINC000587085139 EG Annotated Anodyne N=c1[nH]c2nc(-c3ccc4cc(Cl)ncc4c3)nc-2c(Cl)[nH]1 ZINC000587085279 EG Annotated Anodyne Clc1nccnc1N1CCC(c2nc3ccnc(Cl)c3[nH]2)CC1 ZINC000587085335 EG Annotated Anodyne Cc1cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085353 EG Annotated Anodyne Clc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc2n1 ZINC000587085392 EG Annotated Anodyne N=c1[nH]c2nc(-c3cc(Cl)nc4ccccc34)nc-2c(Cl)[nH]1 ZINC000587085399 EG Annotated Anodyne Cc1cncc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085488 EG Annotated Anodyne Clc1nccnc1N1CCC(c2nc3c(Cl)ccnc3[nH]2)CC1 ZINC000587085556 EG Annotated Anodyne O=C1COc2cc3[nH]c(C4(c5cccc(Cl)n5)CC4)nc3cc2N1 ZINC000587085683 EG Annotated Anodyne Sc1nc(S)c2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2n1 ZINC000587085720 EG Annotated Anodyne Clc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cn1 ZINC000587085734 EG Annotated Anodyne Oc1c(Br)ccc2nc(-c3cnc(Cl)nc3)[nH]c12 ZINC000587085761 EG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 ZINC000587085773 EG Annotated Mild Oc1nc(S)nc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc12 ZINC000587085855 EG Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cnc(Cl)nc3)nc1-2 ZINC000587085874 EG Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587085974 EG Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3N)nc2c1 ZINC000587085982 EG Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587086005 EG Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587086043 EG Annotated Anodyne Clc1nc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc2ccccc12 ZINC000587086060 EG Annotated Anodyne N=c1[nH]c2nc(-c3cc4ccccc4c(Cl)n3)nc-2c(Cl)[nH]1 ZINC000587086146 EG Annotated Anodyne Oc1nc2cc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3cc2[nH]1 ZINC000587086213 EG Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587086296 EG Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587086300 EG Annotated Anodyne Cc1cc(Br)cc2nc(-c3nc(Cl)cnc3N)[nH]c12 ZINC000587086346 EG Annotated Anodyne COc1ccc(-c2nc3c(Br)ccnc3[nH]2)c(Cl)n1 ZINC000587086402 EG Annotated Anodyne N#Cc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1C(F)(F)F ZINC000587086417 EG Annotated Mild CC(C)(F)[C@@H](Br)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587086481 EG Annotated Reactive CC(C)(F)[C@H](Br)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587086482 EG Annotated Reactive N#Cc1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587086526 EG Annotated Mild Nc1ncc(Cl)nc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587086881 EG Annotated Anodyne Cc1cc2[nH]c(C(F)(Br)Br)nc2c(C)n1 ZINC000587086984 EG Annotated Anodyne FC(Br)(Br)c1nc2ccnc(Cl)c2[nH]1 ZINC000587087019 EG Annotated Anodyne FC(Br)(Br)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587087051 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587087066 EG Annotated Reactive CN(C)C(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587087069 EG Annotated Reactive FC(F)=C(C[C@H]1CCCN1)c1nc2c(Br)ccnc2[nH]1 ZINC000587087146 EG Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Br)ccnc2[nH]1 ZINC000587087150 EG Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)ncc2[nH]1 ZINC000587087189 EG Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)ncc2[nH]1 ZINC000587087191 EG Annotated Anodyne FC(Br)(Br)c1nc2ccc(Cl)nc2[nH]1 ZINC000587087235 EG Annotated Anodyne N#Cc1cccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087337 EG Annotated Mild FC(F)=C(C[C@@H]1CCCN1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587087500 EG Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587087503 EG Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587087561 EG Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587087565 EG Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587087647 EG Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587087653 EG Annotated Reactive CN(C)C(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587087745 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587087748 EG Annotated Anodyne COc1cccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087808 EG Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587087857 EG Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587087858 EG Annotated Reactive O=C1CCc2cc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3cc2N1 ZINC000587087952 EG Annotated Anodyne O=C1CCc2cc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3cc2N1 ZINC000587087953 EG Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587087964 EG Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587087976 EG Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587087977 EG Annotated Reactive CC(C)(F)[C@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587087978 EG Annotated Reactive Nc1ncc(Cl)nc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587088091 EG Annotated Anodyne FC(Br)(Br)c1nc2c(Cl)ccnc2[nH]1 ZINC000587088144 EG Annotated Anodyne CCOC(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088183 EG Annotated Anodyne CCOC(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088184 EG Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587088200 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088316 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088323 EG Annotated Anodyne FC(Br)(Br)c1nc2cncc(Cl)c2[nH]1 ZINC000587088358 EG Annotated Anodyne FC(Br)(Br)c1nc2cc(Cl)ncc2[nH]1 ZINC000587088424 EG Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587088434 EG Annotated Anodyne Cc1c(Br)ccc2nc(-c3nc(Cl)cnc3N)[nH]c12 ZINC000587088450 EG Annotated Anodyne Cc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1Br ZINC000587088490 EG Annotated Anodyne FC(Br)(Br)c1nc2cc(Cl)cnc2[nH]1 ZINC000587088590 EG Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)cnc2[nH]1 ZINC000587088849 EG Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)cnc2[nH]1 ZINC000587088850 EG Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2ccnc(Br)c2[nH]1 ZINC000587088860 EG Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2ccnc(Br)c2[nH]1 ZINC000587088861 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1F ZINC000587088873 EG Annotated Bother O=[N+]([O-])c1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1F ZINC000587088875 EG Annotated Bother O=C(O)c1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1F ZINC000587088918 EG Annotated Anodyne O=C(O)c1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1F ZINC000587088919 EG Annotated Anodyne FC(F)(c1ccccn1)c1nc2cncc(Br)c2[nH]1 ZINC000587088959 EG Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cncc(Br)c2[nH]1 ZINC000587088965 EG Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cncc(Br)c2[nH]1 ZINC000587088966 EG Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Br)nc2[nH]1 ZINC000587089008 EG Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Br)nc2[nH]1 ZINC000587089009 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587089031 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587089032 EG Annotated Anodyne FC(F)(c1ccccn1)c1nc2c(Br)ccnc2[nH]1 ZINC000587089121 EG Annotated Anodyne FC(F)(c1ccccn1)c1nc2cc(Br)ncc2[nH]1 ZINC000587089221 EG Annotated Anodyne FC(F)(c1ccccn1)c1nc2cc(Br)cnc2[nH]1 ZINC000587089299 EG Annotated Anodyne O=[N+]([O-])c1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587089603 EG Annotated Bother O=[N+]([O-])c1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587089608 EG Annotated Bother Fc1cc2[nH]c(C(F)(F)c3ccccn3)nc2cc1-n1cccn1 ZINC000587089671 EG Annotated Anodyne FC(F)(c1ccccn1)c1nc2ccc(Br)nc2[nH]1 ZINC000587089736 EG Annotated Anodyne FC(F)(c1ccccn1)c1nc2ccnc(Br)c2[nH]1 ZINC000587089821 EG Annotated Anodyne FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ncc[nH]c-2n1 ZINC000587090206 EG Annotated Mild FC1(F)Oc2cc3nc(C(F)(F)c4ccccn4)[nH]c3cc2O1 ZINC000587090318 EG Annotated Anodyne COC(=O)c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1OC ZINC000587090388 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1OC ZINC000587090391 EG Annotated Anodyne FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncnc2[nH]1 ZINC000587090503 EG Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnncc2[nH]1 ZINC000587090529 EG Annotated Mild CCOC(=O)Cc1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 ZINC000587090721 EG Annotated Anodyne COC(=O)c1cc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1OC ZINC000587090800 EG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1OC ZINC000587090801 EG Annotated Anodyne Fc1cnc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc12 ZINC000587090849 EG Annotated Anodyne O=C(O)c1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 ZINC000587090855 EG Annotated Anodyne N#Cc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1C#N ZINC000587091123 EG Annotated Mild Cc1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091201 EG Annotated Bother Cc1c(F)ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091228 EG Annotated Bother FC(F)(F)COc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccn1 ZINC000587091389 EG Annotated Anodyne Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1F ZINC000587091507 EG Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 ZINC000587091610 EG Annotated Bother CCc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091649 EG Annotated Bother FC(F)(F)CCc1ocnc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587091668 EG Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(F)c(F)c3[nH]2)nn1CC(F)(F)F ZINC000587091673 EG Annotated Bother Nc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1N ZINC000587091778 EG Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 ZINC000587091813 EG Annotated Bother FC(F)(F)CCc1ocnc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587091970 EG Annotated Anodyne FC(F)(F)COc1cc(-c2nc3c(Cl)ncnc3[nH]2)ccn1 ZINC000587092006 EG Annotated Anodyne Oc1nc2cc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3cc2[nH]1 ZINC000587092072 EG Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 ZINC000587092119 EG Annotated Bother N[C@H](N=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587092138 EG Annotated Anodyne N#Cc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1C#N ZINC000587092140 EG Annotated Mild N[C@@H](N=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587092149 EG Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587092156 EG Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(F)cc(F)c3[nH]2)nn1CC(F)(F)F ZINC000587092185 EG Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cccnc2[nH]1)C(F)(F)F ZINC000587092340 EG Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cccnc2[nH]1)C(F)(F)F ZINC000587092343 EG Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(F)cc3[nH]2)nn1CC(F)(F)F ZINC000587092431 EG Annotated Bother Cc1cc(F)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587092469 EG Annotated Bother O=[N+]([O-])c1cc(-c2nc3cccc(F)c3[nH]2)nn1CC(F)(F)F ZINC000587092479 EG Annotated Bother O=C(O)c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 ZINC000587092481 EG Annotated Anodyne COC(=O)c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 ZINC000587092482 EG Annotated Anodyne OCCc1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 ZINC000587092556 EG Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccn1 ZINC000587092687 EG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(C)nccc3[nH]2)C(F)(F)F)n1 ZINC000587092698 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(C)nccc3[nH]2)C(F)(F)F)n1 ZINC000587092707 EG Annotated Anodyne Oc1nccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587092755 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587092996 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587092999 EG Annotated Anodyne O=C(O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587093056 EG Annotated Anodyne Oc1nc2cc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3cc2[nH]1 ZINC000587093076 EG Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(F)c(F)cc3[nH]2)nn1CC(F)(F)F ZINC000587093087 EG Annotated Bother Cc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587093143 EG Annotated Bother COC(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587093184 EG Annotated Anodyne OCCc1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587093302 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587093382 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587093390 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587093392 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587093394 EG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(C)ccnc3[nH]2)C(F)(F)F)n1 ZINC000587093462 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(C)ccnc3[nH]2)C(F)(F)F)n1 ZINC000587093463 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587093488 EG Annotated Mild C[C@H](NC(=O)CC(F)(F)F)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587093490 EG Annotated Mild Cc1csc([C@](O)(Cc2nc3cccc(O)c3[nH]2)C(F)(F)F)n1 ZINC000587093545 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccc(O)c3[nH]2)C(F)(F)F)n1 ZINC000587093547 EG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@@H]3C(F)(F)F)nc-2[nH]1 ZINC000587093707 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12 ZINC000587093708 EG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cncc(C)c3[nH]2)C(F)(F)F)n1 ZINC000587093731 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cncc(C)c3[nH]2)C(F)(F)F)n1 ZINC000587093733 EG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(C)nc3[nH]2)C(F)(F)F)n1 ZINC000587093777 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(C)nc3[nH]2)C(F)(F)F)n1 ZINC000587093779 EG Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cnccc2[nH]1)C(F)(F)F ZINC000587093824 EG Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cnccc2[nH]1)C(F)(F)F ZINC000587093825 EG Annotated Anodyne N=c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c[nH]1 ZINC000587093960 EG Annotated Anodyne FC(F)(F)[C@H]1C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587093963 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587093987 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587094058 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587094059 EG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccccc3[nH]2)C(F)(F)F)n1 ZINC000587094174 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccccc3[nH]2)C(F)(F)F)n1 ZINC000587094175 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587094176 EG Annotated Mild C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587094177 EG Annotated Mild Cc1cnc2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 ZINC000587094236 EG Annotated Anodyne Cc1cnc2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 ZINC000587094237 EG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(O)cc3[nH]2)C(F)(F)F)n1 ZINC000587094254 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(O)cc3[nH]2)C(F)(F)F)n1 ZINC000587094255 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587094366 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587094367 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587094376 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587094377 EG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(F)cc3[nH]2)C(F)(F)F)n1 ZINC000587094730 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(F)cc3[nH]2)C(F)(F)F)n1 ZINC000587094731 EG Annotated Anodyne Cc1ccc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1C(F)(F)F ZINC000587094765 EG Annotated Anodyne N=c1[nH]cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc-2[nH]1 ZINC000587094803 EG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cccc(F)c3[nH]2)C(F)(F)F)n1 ZINC000587094876 EG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccc(F)c3[nH]2)C(F)(F)F)n1 ZINC000587094877 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587094894 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587094895 EG Annotated Anodyne Cc1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)cc1C(F)(F)F ZINC000587095066 EG Annotated Anodyne N=c1[nH]cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc-2[nH]1 ZINC000587095105 EG Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587095109 EG Annotated Anodyne CC(C)Oc1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587095111 EG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587095113 EG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587095115 EG Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cn1 ZINC000587095361 EG Annotated Anodyne COc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C(F)(F)F)c1 ZINC000587095470 EG Annotated Anodyne Nc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095501 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc12 ZINC000587095559 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2n1 ZINC000587095608 EG Annotated Anodyne Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587095650 EG Annotated Anodyne Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C(F)(F)F)c1 ZINC000587095713 EG Annotated Anodyne Cc1ccc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1C(F)(F)F ZINC000587095808 EG Annotated Mild COC(=O)[C@@](C)(O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096787 EG Annotated Anodyne COC(=O)[C@](C)(O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096792 EG Annotated Anodyne COC(=O)C(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096831 EG Annotated Anodyne C[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccccc1C(F)(F)F ZINC000587096993 EG Annotated Mild C[C@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccccc1C(F)(F)F ZINC000587096994 EG Annotated Mild Oc1nc(S)nc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc12 ZINC000587097630 EG Annotated Anodyne N=c1[nH]c2nc(-c3cccc(F)c3C(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587098018 EG Annotated Anodyne COc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587098829 EG Annotated Anodyne Cc1ccc2c3c(cc(-c4no[nH]c4=N)nc13)-c1ccccc1C2=O ZINC000587099075 EG Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587099212 EG Annotated Reactive C[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587099213 EG Annotated Reactive Cc1ccc2c3c(c(CC(=O)O)c(C(=O)O)nc13)-c1ccccc1C2=O ZINC000587100462 EG Annotated Anodyne Cc1ccc2c3c(c(CC=O)c(C(=O)O)nc13)-c1ccccc1C2=O ZINC000587102237 EG Annotated Mild Cc1ccc2c3c(cc(CS(C)(=O)=O)nc13)-c1ccccc1C2=O ZINC000587102890 EG Annotated Anodyne NC(=O)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587102917 EG Annotated Anodyne NC(=O)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587102920 EG Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CS(=O)(=O)CC4)-c1ccccc1C2=O ZINC000587102966 EG Annotated Anodyne CC(=O)N(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)=O ZINC000587104013 EG Annotated Anodyne CC(=O)N[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587104039 EG Annotated Anodyne CC(=O)N[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587104041 EG Annotated Anodyne O=C1c2ccccc2-c2cc(CCn3cncn3)nc3cccc1c23 ZINC000587104326 EG Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)CCC3=O)nc3cccc1c23 ZINC000587104698 EG Annotated Anodyne Cn1ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1N ZINC000587104731 EG Annotated Anodyne CN(C)/C=C1\C(=O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104962 EG Annotated Mild CN(C)/C=C1/C(=O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104963 EG Annotated Mild Cc1c(Cn2cncn2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105016 EG Annotated Anodyne C/C(=C\c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCCO ZINC000587105028 EG Annotated Anodyne C/C(=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCCO ZINC000587105030 EG Annotated Anodyne CC(=O)N1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587105094 EG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C[N+](=O)[O-])C3 ZINC000587105124 EG Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C[N+](=O)[O-])C3 ZINC000587105125 EG Annotated Bother O=C1c2ccccc2-c2cc(CN3CCOCC3)nc3cccc1c23 ZINC000587105559 EG Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H]3CCCNC3=O)nc3cccc1c23 ZINC000587105604 EG Annotated Anodyne O=C1c2ccccc2-c2cc([C@H]3CCCNC3=O)nc3cccc1c23 ZINC000587105605 EG Annotated Anodyne COC(=O)[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105606 EG Annotated Anodyne COC(=O)[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105607 EG Annotated Anodyne CCOC(=O)C(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105615 EG Annotated Anodyne CN1CCN(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000587105796 EG Annotated Anodyne COC(=O)[C@@H](OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106085 EG Annotated Anodyne COC(=O)[C@H](OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106088 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3ccccc3C(F)(F)F)nc12 ZINC000587106375 EG Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc(O)nc3O)nc3cccc1c23 ZINC000587106775 EG Annotated Anodyne COC(=O)c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cn1 ZINC000587106975 EG Annotated Anodyne CC(=O)OC(=O)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587107080 EG Annotated Reactive O=C1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2CN1 ZINC000587107200 EG Annotated Anodyne O=C1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2CN1 ZINC000587107204 EG Annotated Anodyne O=C1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2CN1 ZINC000587107205 EG Annotated Anodyne O=C1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2CN1 ZINC000587107206 EG Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587107586 EG Annotated Anodyne COCCOC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107719 EG Annotated Anodyne CCOC(=O)C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107728 EG Annotated Anodyne COC(=O)[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587107802 EG Annotated Anodyne COC(=O)[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587107804 EG Annotated Anodyne FC(F)(F)c1cccnc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587108013 EG Annotated Anodyne FC(F)(F)c1cccnc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587108097 EG Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c(=O)cn3)nc3cccc1c23 ZINC000587108101 EG Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587108144 EG Annotated Anodyne O=C1C[C@H]2Cc3nc4cccc5c4c(c3[C@H]2CN1)-c1ccccc1C5=O ZINC000587108189 EG Annotated Anodyne O=C1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2CN1)-c1ccccc1C5=O ZINC000587108190 EG Annotated Anodyne O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2CN1)-c1ccccc1C5=O ZINC000587108192 EG Annotated Anodyne O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2CN1)-c1ccccc1C5=O ZINC000587108194 EG Annotated Anodyne COc1cncc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 ZINC000587108582 EG Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587108677 EG Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2n1 ZINC000587108744 EG Annotated Anodyne Nc1ccnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 ZINC000587109319 EG Annotated Bother N=c1[nH]c2nc(-c3ccc(C(F)(F)F)cc3F)nc-2c(Cl)[nH]1 ZINC000587109365 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc12 ZINC000587109389 EG Annotated Anodyne FC(F)(F)c1ncc2nc(-c3ncccc3C(F)(F)F)nc-2[nH]1 ZINC000587109517 EG Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587109673 EG Annotated Anodyne Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587109749 EG Annotated Anodyne COc1nccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 ZINC000587109918 EG Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccnc(O)c2[nH]1 ZINC000587110294 EG Annotated Bother CN(C)C(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 ZINC000587111245 EG Annotated Anodyne Nc1ncnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 ZINC000587111703 EG Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccnc2[nH]1 ZINC000587111789 EG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccnc2[nH]1 ZINC000587111792 EG Annotated Anodyne Oc1nncc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587111795 EG Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587111969 EG Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CO)cc2[nH]1 ZINC000587111972 EG Annotated Anodyne Cn1cc(-c2nc3nc(Br)c[nH]c-3n2)c(C(F)(F)F)c1 ZINC000587112397 EG Annotated Anodyne COc1cncc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113049 EG Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587113141 EG Annotated Anodyne Cn1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1 ZINC000587113174 EG Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnccc2[nH]1 ZINC000587113253 EG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnccc2[nH]1 ZINC000587113255 EG Annotated Anodyne Cn1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587113268 EG Annotated Anodyne Oc1ncnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 ZINC000587113275 EG Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587113536 EG Annotated Anodyne Cn1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C(F)(F)F)c1 ZINC000587113595 EG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccccc4[nH]3)n2)cc1 ZINC000587113927 EG Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587114087 EG Annotated Anodyne FC(F)(F)c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587114164 EG Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587114300 EG Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587114304 EG Annotated Anodyne COc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587114573 EG Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587114654 EG Annotated Anodyne COc1nccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587114890 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114993 EG Annotated Anodyne O=C(O)c1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587115149 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 ZINC000587115180 EG Annotated Anodyne FC(F)(F)c1cncc(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587115223 EG Annotated Anodyne FC(F)(F)c1cncc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587115422 EG Annotated Anodyne Cn1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C(F)(F)F)c1 ZINC000587115586 EG Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587115623 EG Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587115783 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 ZINC000587115827 EG Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587115833 EG Annotated Anodyne FC(F)(F)c1cc(-c2nc3cncnc3[nH]2)c(Br)cn1 ZINC000587115942 EG Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587115976 EG Annotated Anodyne Nc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1N ZINC000587116020 EG Annotated Anodyne FC(F)(F)c1cc(-c2nc3ncc[nH]c-3n2)c(Br)cn1 ZINC000587116098 EG Annotated Anodyne Oc1nccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116155 EG Annotated Anodyne COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cn1 ZINC000587116282 EG Annotated Anodyne FC(F)(F)c1cc(-c2nc3cnncc3[nH]2)c(Br)cn1 ZINC000587116457 EG Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587116545 EG Annotated Anodyne Cc1cc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2cc1[N+](=O)[O-] ZINC000587116648 EG Annotated Bother COc1cncc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12 ZINC000587116656 EG Annotated Anodyne COc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2n1 ZINC000587116787 EG Annotated Anodyne Cc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587116935 EG Annotated Bother Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587117009 EG Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587117069 EG Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587117114 EG Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587117200 EG Annotated Anodyne Oc1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587117213 EG Annotated Anodyne Fc1cnc(Cl)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12 ZINC000587117230 EG Annotated Anodyne COc1cc(OC)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587117320 EG Annotated Anodyne Cc1cccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 ZINC000587117365 EG Annotated Bother Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(CO)cc2[nH]1 ZINC000587117377 EG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccccc2[nH]1 ZINC000587117516 EG Annotated Bother Cc1cncc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587117595 EG Annotated Anodyne Oc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587117603 EG Annotated Anodyne Cc1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1[N+](=O)[O-] ZINC000587117727 EG Annotated Bother FC(F)(F)c1cc(C2CC2)n(Cc2nc3nc(Cl)c[nH]c-3n2)n1 ZINC000587117746 EG Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000587117768 EG Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587117772 EG Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587117778 EG Annotated Anodyne COc1nccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12 ZINC000587117790 EG Annotated Anodyne COc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2n1 ZINC000587117934 EG Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587117947 EG Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587118011 EG Annotated Anodyne FC(F)(F)c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cn1 ZINC000587118080 EG Annotated Anodyne Cc1cnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587118088 EG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(F)c2[nH]1 ZINC000587118122 EG Annotated Bother Cc1nccc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12 ZINC000587118338 EG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(F)cc2[nH]1 ZINC000587118345 EG Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587118365 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1F ZINC000587118522 EG Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587118536 EG Annotated Anodyne COc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1OC ZINC000587118548 EG Annotated Anodyne Cc1ccnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12 ZINC000587118575 EG Annotated Anodyne Cc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2n1 ZINC000587118637 EG Annotated Anodyne COc1nccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587118733 EG Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cnc(Cl)[nH]c-3n2)n1 ZINC000587118769 EG Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Cl)ncnc3[nH]2)n1 ZINC000587118799 EG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12 ZINC000587118852 EG Annotated Anodyne COc1cncc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587118863 EG Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4ccccc4[nH]3)no2)n1 ZINC000587118941 EG Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587119077 EG Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587119104 EG Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587119166 EG Annotated Anodyne COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cn1 ZINC000587119187 EG Annotated Anodyne Oc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119244 EG Annotated Anodyne Fc1cnc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587119303 EG Annotated Anodyne FC(F)(F)c1cnc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587119318 EG Annotated Anodyne COc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1F ZINC000587119332 EG Annotated Anodyne Fc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c(F)c1F ZINC000587119550 EG Annotated Anodyne OCc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587119743 EG Annotated Anodyne Oc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119790 EG Annotated Anodyne Cc1cnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587119881 EG Annotated Anodyne Cc1ccnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 ZINC000587120047 EG Annotated Anodyne Cc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2n1 ZINC000587120049 EG Annotated Anodyne Fc1cnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 ZINC000587120320 EG Annotated Anodyne Cc1cncc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587120327 EG Annotated Anodyne Cc1nccc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 ZINC000587120328 EG Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 ZINC000587120366 EG Annotated Bother Nc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1N ZINC000587120381 EG Annotated Anodyne Oc1nccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120666 EG Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120828 EG Annotated Bother N#Cc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1C#N ZINC000587122012 EG Annotated Mild FC(F)COc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000587122067 EG Annotated Anodyne Cc1cnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587122167 EG Annotated Anodyne Cc1cnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587122173 EG Annotated Anodyne Cc1cnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1 ZINC000587122175 EG Annotated Anodyne Cc1cnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1 ZINC000587122177 EG Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2n1 ZINC000587122340 EG Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2n1 ZINC000587122341 EG Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2n1 ZINC000587122342 EG Annotated Anodyne Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2n1 ZINC000587122343 EG Annotated Anodyne CCCOc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587122523 EG Annotated Anodyne CCCOc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587122524 EG Annotated Anodyne CCCOc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587122525 EG Annotated Anodyne CCCOc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587122526 EG Annotated Anodyne FC(F)(F)OCc1nc2ccc(I)cc2[nH]1 ZINC000587122653 EG Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1F ZINC000587122688 EG Annotated Bother FC(F)(F)OCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587122727 EG Annotated Anodyne COc1cc(OC)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 ZINC000587123408 EG Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(O)cc4[nH]3)cc2N1 ZINC000587123707 EG Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(O)cc4[nH]3)cc2N1 ZINC000587123709 EG Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(O)cc4[nH]3)cc2N1 ZINC000587123710 EG Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(O)cc4[nH]3)cc2N1 ZINC000587123712 EG Annotated Anodyne N=c1[nH]cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)nc-2[nH]1 ZINC000587123767 EG Annotated Anodyne N=c1[nH]cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)nc-2[nH]1 ZINC000587123781 EG Annotated Anodyne O=C(O)c1cc(F)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 ZINC000587123907 EG Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1F ZINC000587124352 EG Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cnc4[nH]3)cc2N1 ZINC000587124538 EG Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cnc4[nH]3)cc2N1 ZINC000587124542 EG Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cnc4[nH]3)cc2N1 ZINC000587124543 EG Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cnc4[nH]3)cc2N1 ZINC000587124544 EG Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(COC(F)(F)F)[nH]c12 ZINC000587124625 EG Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(COC(F)(F)F)[nH]c12 ZINC000587124769 EG Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)[C@@H](C)F)[nH]c3c2)cc1 ZINC000587124936 EG Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](N)[C@H](C)F)[nH]c3c2)cc1 ZINC000587124947 EG Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)[C@H](C)F)[nH]c3c2)cc1 ZINC000587124949 EG Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](N)[C@@H](C)F)[nH]c3c2)cc1 ZINC000587124951 EG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(COC(F)(F)F)[nH]c12 ZINC000587125074 EG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(COC(F)(F)F)[nH]c21 ZINC000587125307 EG Annotated Clean O=C(O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587125413 EG Annotated Anodyne OC1(c2nc3cc4c(cc3[nH]2)OCO4)CCC(C(F)(F)F)CC1 ZINC000587125495 EG Annotated Anodyne CC(C)Oc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587125567 EG Annotated Anodyne CC(C)Oc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587125573 EG Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br ZINC000587125574 EG Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br ZINC000587125575 EG Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 ZINC000587125646 EG Annotated Mild C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(O)c4[nH]3)cc2N1 ZINC000587125706 EG Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(O)c4[nH]3)cc2N1 ZINC000587125710 EG Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(O)c4[nH]3)cc2N1 ZINC000587125713 EG Annotated Anodyne Fc1cnc(Cl)c2nc(-c3cccc(OCC(F)F)n3)[nH]c12 ZINC000587125715 EG Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(O)c4[nH]3)cc2N1 ZINC000587125716 EG Annotated Anodyne Cc1cncc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 ZINC000587125755 EG Annotated Anodyne Cc1cncc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 ZINC000587125756 EG Annotated Anodyne Cc1cncc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 ZINC000587125757 EG Annotated Anodyne Cc1cncc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 ZINC000587125758 EG Annotated Anodyne OCCc1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587125993 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 ZINC000587126013 EG Annotated Mild Cc1nccc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12 ZINC000587126096 EG Annotated Anodyne Cc1nccc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12 ZINC000587126097 EG Annotated Anodyne Cc1nccc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12 ZINC000587126098 EG Annotated Anodyne Cc1nccc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12 ZINC000587126099 EG Annotated Anodyne Cc1ccnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12 ZINC000587126140 EG Annotated Anodyne Cc1ccnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12 ZINC000587126141 EG Annotated Anodyne Cc1ccnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12 ZINC000587126142 EG Annotated Anodyne Cc1ccnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12 ZINC000587126143 EG Annotated Anodyne FC(F)(F)OCc1nc2cccc(I)c2[nH]1 ZINC000587126475 EG Annotated Anodyne FC(F)(F)OCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587126491 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 ZINC000587126702 EG Annotated Anodyne N#Cc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1C#N ZINC000587126732 EG Annotated Mild COc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1OC ZINC000587126821 EG Annotated Anodyne FC(F)COc1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 ZINC000587126822 EG Annotated Anodyne FC(F)COc1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 ZINC000587126832 EG Annotated Anodyne Oc1nc2cc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3cc2[nH]1 ZINC000587126839 EG Annotated Anodyne Cc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 ZINC000587126911 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587126977 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587126979 EG Annotated Anodyne COC(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587127015 EG Annotated Anodyne O=[N+]([O-])c1cccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 ZINC000587127073 EG Annotated Bother OC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCC(C(F)(F)F)CC1 ZINC000587127111 EG Annotated Anodyne Nc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1N ZINC000587127175 EG Annotated Anodyne COc1nccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587127234 EG Annotated Anodyne COc1cncc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587127324 EG Annotated Anodyne COc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cn1 ZINC000587127428 EG Annotated Anodyne O=C(O)c1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1F ZINC000587127442 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587127473 EG Annotated Bother OCc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587127532 EG Annotated Anodyne Oc1nccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587127583 EG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(F)ccc2[nH]1)C(F)(F)F ZINC000587127587 EG Annotated Anodyne COc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2n1 ZINC000587127618 EG Annotated Anodyne Cc1cc(Br)cc2nc(-c3nnn(C)c3C(F)F)[nH]c12 ZINC000587127918 EG Annotated Anodyne N=c1[nH]cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)nc-2[nH]1 ZINC000587127936 EG Annotated Anodyne Cn1nnc(-c2nc3cc(Br)cc(F)c3[nH]2)c1C(F)F ZINC000587127977 EG Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 ZINC000587128089 EG Annotated Mild Cn1nnc(-c2nc3ccc(F)c(Br)c3[nH]2)c1C(F)F ZINC000587128170 EG Annotated Anodyne Cc1c(Br)ccc2nc(-c3nnn(C)c3C(F)F)[nH]c12 ZINC000587128176 EG Annotated Anodyne Cn1nnc(-c2nc3cccc(Br)c3[nH]2)c1C(F)F ZINC000587128177 EG Annotated Anodyne Fc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c(F)c1F ZINC000587128208 EG Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2n1 ZINC000587128264 EG Annotated Anodyne Cn1nnc(-c2nc3ccc(Br)c(F)c3[nH]2)c1C(F)F ZINC000587128288 EG Annotated Anodyne CSc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587128312 EG Annotated Anodyne FC(F)c1c(-c2nc3ccc4ncccc4c3[nH]2)cnc2ncnn12 ZINC000587128331 EG Annotated Anodyne Cn1nnc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1C(F)F ZINC000587128372 EG Annotated Anodyne Cn1nnc(-c2nc3cc(F)cc(Br)c3[nH]2)c1C(F)F ZINC000587128396 EG Annotated Anodyne Fc1cc(Cl)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128425 EG Annotated Anodyne Cn1nnc(-c2nc3ccc(Br)cc3[nH]2)c1C(F)F ZINC000587128460 EG Annotated Anodyne Cn1nnc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1C(F)F ZINC000587128474 EG Annotated Mild Cn1nnc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1C(F)F ZINC000587128493 EG Annotated Anodyne CC(C)Oc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587128519 EG Annotated Anodyne Cn1nnc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C(F)F ZINC000587128712 EG Annotated Anodyne FC(F)c1c(-c2nc3ccc4c(c3[nH]2)CCCC4)cnc2ncnn12 ZINC000587128789 EG Annotated Anodyne Cn1nnc(-c2nc3cc(Br)c(F)cc3[nH]2)c1C(F)F ZINC000587128847 EG Annotated Anodyne FC(F)c1c(-c2nc3cnc4ccccc4c3[nH]2)cnc2ncnn12 ZINC000587128898 EG Annotated Anodyne Cc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1Br ZINC000587129256 EG Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3nnn(C)c3C(F)F)nc2c1 ZINC000587129266 EG Annotated Anodyne Fc1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1Cl ZINC000587129389 EG Annotated Anodyne C=CCc1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587129461 EG Annotated Mild CCOc1cc(/C=C/c2nc3cnnc(O)c3[nH]2)ccc1OC(F)F ZINC000587129511 EG Annotated Anodyne CCOc1cc(/C=C\c2nc3cnnc(O)c3[nH]2)ccc1OC(F)F ZINC000587129512 EG Annotated Anodyne Cn1nnc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1C(F)F ZINC000587129731 EG Annotated Anodyne O=C1CCc2cc3[nH]c(-c4cccc(OCC(F)F)n4)nc3cc2N1 ZINC000587129900 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(Cl)nc3[nH]2)CC(F)(F)C1 ZINC000587130361 EG Annotated Anodyne CCOc1cc(/C=C/c2nc3c(N)ncnc3[nH]2)ccc1OC(F)F ZINC000587130397 EG Annotated Anodyne CCOc1cc(/C=C\c2nc3c(N)ncnc3[nH]2)ccc1OC(F)F ZINC000587130399 EG Annotated Anodyne FC(F)Oc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587130447 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(Cl)ccnc3[nH]2)CC(F)(F)C1 ZINC000587130506 EG Annotated Anodyne Cc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587130519 EG Annotated Bother CC(C)OC(=O)C1(c2nc3cc(Cl)ncc3[nH]2)CC(F)(F)C1 ZINC000587130758 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3cncc(Cl)c3[nH]2)CC(F)(F)C1 ZINC000587130981 EG Annotated Anodyne CCOc1cc(/C=C/c2nc3ncc[nH]c-3n2)ccc1OC(F)F ZINC000587131031 EG Annotated Anodyne CCOc1cc(/C=C\c2nc3ncc[nH]c-3n2)ccc1OC(F)F ZINC000587131032 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccnc(Cl)c3[nH]2)CC(F)(F)C1 ZINC000587131084 EG Annotated Anodyne FC(F)Oc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587131088 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Cl)cnc3[nH]2)CC(F)(F)C1 ZINC000587131136 EG Annotated Anodyne CCOc1cc(/C=C/c2nc3c(O)ncnc3[nH]2)ccc1OC(F)F ZINC000587131179 EG Annotated Anodyne CCOc1cc(/C=C\c2nc3c(O)ncnc3[nH]2)ccc1OC(F)F ZINC000587131180 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(F)c(F)c3[nH]2)CC(F)(F)C1 ZINC000587131253 EG Annotated Anodyne NNC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131425 EG Annotated Reactive COc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1F ZINC000587131477 EG Annotated Anodyne Oc1nc(S)nc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc12 ZINC000587131543 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC(F)(F)C1 ZINC000587131546 EG Annotated Bother CC(C)OC(=O)C1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC(F)(F)C1 ZINC000587131549 EG Annotated Bother CC(C)OC(=O)C1(c2nc3c(F)cnc(Cl)c3[nH]2)CC(F)(F)C1 ZINC000587131558 EG Annotated Anodyne COc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1C ZINC000587131575 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc4cn[nH]c4cc3[nH]2)CC(F)(F)C1 ZINC000587131576 EG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(C#N)c3[nH]2)C(F)(F)C1 ZINC000587131646 EG Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(C#N)c3[nH]2)C(F)(F)C1 ZINC000587131648 EG Annotated Mild Cc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1 ZINC000587131767 EG Annotated Anodyne Cc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1 ZINC000587131769 EG Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 ZINC000587131867 EG Annotated Anodyne Cc1ccnc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 ZINC000587131868 EG Annotated Anodyne N=c1[nH]c2nc(C3CC(F)(c4cccc(F)c4)C3)nc-2c(Cl)[nH]1 ZINC000587131878 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(F)cc(F)c3[nH]2)CC(F)(F)C1 ZINC000587131920 EG Annotated Anodyne Cc1nccc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 ZINC000587131954 EG Annotated Anodyne Cc1nccc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 ZINC000587131955 EG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(F)cnc3[nH]2)C(F)(F)C1 ZINC000587131965 EG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(F)cnc3[nH]2)C(F)(F)C1 ZINC000587131966 EG Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(F)c(F)cc3[nH]2)CC(F)(F)C1 ZINC000587131975 EG Annotated Anodyne CC(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 ZINC000587131985 EG Annotated Anodyne Cc1cncc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132058 EG Annotated Anodyne Cc1cncc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132059 EG Annotated Anodyne CC1=C(c2ccc3nc(C4(F)CCCCC4)[nH]c3c2)NNC(=O)C1 ZINC000587132115 EG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(O)cc3[nH]2)C(F)(F)C1 ZINC000587132177 EG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(O)cc3[nH]2)C(F)(F)C1 ZINC000587132178 EG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(O)c3[nH]2)C(F)(F)C1 ZINC000587132212 EG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(O)c3[nH]2)C(F)(F)C1 ZINC000587132213 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(F)c(OC)c3N)[nH]c2c1 ZINC000587132436 EG Annotated Anodyne N=c1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c[nH]1 ZINC000587132438 EG Annotated Anodyne COc1c(F)ccc(-c2nc3cncc(Br)c3[nH]2)c1N ZINC000587132441 EG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C#N)cc3[nH]2)C(F)(F)C1 ZINC000587132452 EG Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C#N)cc3[nH]2)C(F)(F)C1 ZINC000587132453 EG Annotated Mild COc1c(F)ccc(-c2nc3cc(Br)ncc3[nH]2)c1N ZINC000587132477 EG Annotated Anodyne Cc1cnc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587132513 EG Annotated Anodyne Cc1cnc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587132514 EG Annotated Anodyne COc1c(F)ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1N ZINC000587132592 EG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(F)ccc(F)c3OC)nc2cc1OC ZINC000587132662 EG Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587132666 EG Annotated Anodyne COc1c(F)ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1N ZINC000587132847 EG Annotated Anodyne Nc1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1N ZINC000587132856 EG Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587133025 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(F)c(OC)c3N)nc2c1 ZINC000587133261 EG Annotated Anodyne COc1c(F)ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1N ZINC000587133307 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3c(F)ccc(F)c3OC)[nH]c2c1OC ZINC000587133334 EG Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587133336 EG Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587133345 EG Annotated Anodyne Cc1c(F)cc(-c2nc3nc(Br)c[nH]c-3n2)cc1F ZINC000587133432 EG Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587133449 EG Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(Br)nc3[nH]2)c1N ZINC000587133466 EG Annotated Anodyne O=C(c1nc2c(O)nccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133494 EG Annotated Anodyne N=c1[nH]ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 ZINC000587133616 EG Annotated Anodyne COc1c(F)ccc(-c2nc3cc(Br)cnc3[nH]2)c1N ZINC000587133620 EG Annotated Anodyne Nc1ccnc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c12 ZINC000587133653 EG Annotated Anodyne COc1c(F)ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1N ZINC000587133692 EG Annotated Anodyne COc1c(F)ccc(-c2nc3ccnc(Br)c3[nH]2)c1N ZINC000587133696 EG Annotated Anodyne COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cn1 ZINC000587133698 EG Annotated Anodyne N=c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c[nH]1 ZINC000587133703 EG Annotated Anodyne N=c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c[nH]1 ZINC000587133704 EG Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c1 ZINC000587133754 EG Annotated Bother Nc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1N ZINC000587133786 EG Annotated Anodyne COc1c(F)cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1F ZINC000587133860 EG Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587133896 EG Annotated Anodyne COc1cncc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 ZINC000587133910 EG Annotated Anodyne Fc1c(F)c(-c2nc3nc(Cl)c[nH]c-3n2)c(F)c(F)c1S ZINC000587133915 EG Annotated Anodyne Fc1c(F)c(-c2nc3cnc(Cl)[nH]c-3n2)c(F)c(F)c1S ZINC000587133916 EG Annotated Anodyne COc1nccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 ZINC000587133980 EG Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587134083 EG Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 ZINC000587134104 EG Annotated Bother COc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2n1 ZINC000587134174 EG Annotated Anodyne Nc1c(F)cc(-c2nc3ccnc(Br)c3[nH]2)cc1F ZINC000587134240 EG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(F)cc(F)c3O)nc2cc1OC ZINC000587134370 EG Annotated Anodyne Nc1c(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F ZINC000587134428 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2c1OC ZINC000587134516 EG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(F)c(OC)c(F)c3)nc2cc1OC ZINC000587134571 EG Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587134623 EG Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587134654 EG Annotated Anodyne COc1c(F)cc(-c2nc3nc(Br)c[nH]c-3n2)cc1F ZINC000587134718 EG Annotated Anodyne Nc1c(F)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1F ZINC000587134731 EG Annotated Anodyne COc1c(F)cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1F ZINC000587134746 EG Annotated Anodyne Nc1c(F)cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587134829 EG Annotated Anodyne Nc1c(F)cc(-c2nc3ccc(Br)nc3[nH]2)cc1F ZINC000587134830 EG Annotated Anodyne Nc1c(F)cc(-c2nc3cc(Br)cnc3[nH]2)cc1F ZINC000587134835 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cc1[N+](=O)[O-] ZINC000587134889 EG Annotated Bother COC(=O)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1OC ZINC000587134932 EG Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587134969 EG Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000587134995 EG Annotated Anodyne Nc1c(F)cc(-c2nc3cncc(Br)c3[nH]2)cc1F ZINC000587135034 EG Annotated Anodyne COc1c(F)ccc(-c2nc3c(Br)ccnc3[nH]2)c1N ZINC000587135083 EG Annotated Anodyne Nc1ccnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587135127 EG Annotated Anodyne Nc1ccnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587135129 EG Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c1 ZINC000587135176 EG Annotated Anodyne COc1c(F)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F ZINC000587135296 EG Annotated Anodyne N=c1[nH]ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135320 EG Annotated Anodyne Nc1c(F)cc(-c2nc3cc(Br)ncc3[nH]2)cc1F ZINC000587135321 EG Annotated Anodyne N=c1[nH]ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135322 EG Annotated Anodyne CNc1c(F)cccc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587135570 EG Annotated Anodyne CNc1c(F)cccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587135762 EG Annotated Bother Nc1cc(F)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1N ZINC000587135836 EG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(N)c(N)cc3F)nc2c1 ZINC000587135948 EG Annotated Mild N#Cc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1C(F)(F)F ZINC000587136000 EG Annotated Mild Nc1c(F)c(F)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1F ZINC000587136063 EG Annotated Bother Nc1c(F)c(F)cc(-c2nc3cncc(Br)c3[nH]2)c1F ZINC000587136106 EG Annotated Anodyne Nc1cc(F)c(-c2nc3ccc(Br)c(O)c3[nH]2)cc1N ZINC000587136225 EG Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(Br)cnc3[nH]2)c1F ZINC000587136294 EG Annotated Anodyne Oc1nccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587136322 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587136343 EG Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(O)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136370 EG Annotated Bother Cc1cc(N(C)Cc2nc3ccc(C#N)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136400 EG Annotated Mild CCOC(=O)Cc1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1 ZINC000587136429 EG Annotated Anodyne Nc1cc(F)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1N ZINC000587136543 EG Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(N)c(N)cc3[nH]2)c(N)cc1F ZINC000587136590 EG Annotated Anodyne N=c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c[nH]1 ZINC000587136603 EG Annotated Anodyne Nc1cc(F)c(-c2nc3cc(F)cc(Br)c3[nH]2)cc1N ZINC000587136651 EG Annotated Anodyne Cc1cc(N(C)Cc2nc3cccc(O)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136675 EG Annotated Bother Cc1cc(N(C)Cc2nc3cccc(C#N)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136713 EG Annotated Mild Cc1cc(N(C)Cc2nc3c(C)ccnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136727 EG Annotated Bother Nc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1N ZINC000587136780 EG Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3ccc(Br)nc3[nH]2)c1F ZINC000587136818 EG Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1F ZINC000587136826 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(Br)c(F)cc3F)nc12 ZINC000587136856 EG Annotated Anodyne Cc1cc(N(C)Cc2nc3cncc(C)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136888 EG Annotated Bother Nc1c(F)c(F)cc(-c2nc3ccnc(Br)c3[nH]2)c1F ZINC000587136898 EG Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(N)cc1F ZINC000587136903 EG Annotated Bother CC(C)(C)Oc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(N)cc1F ZINC000587136909 EG Annotated Bother Cc1cc(N(C)Cc2nc3c(C)nccc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136966 EG Annotated Bother Cc1cc(N(C)Cc2nc3ccc(CO)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136972 EG Annotated Bother Nc1c(F)c(F)cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1F ZINC000587137067 EG Annotated Anodyne Nc1cc(F)c(-c2nc3cc(Br)cc(F)c3[nH]2)cc1N ZINC000587137158 EG Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(F)cnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137169 EG Annotated Bother Cc1cnc2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 ZINC000587137213 EG Annotated Bother Nc1cc(F)c(-c2nc3cc(Br)c(F)cc3[nH]2)cc1N ZINC000587137227 EG Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3c(Br)ccnc3[nH]2)c1F ZINC000587137250 EG Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1F ZINC000587137264 EG Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(Br)ncc3[nH]2)c1F ZINC000587137314 EG Annotated Anodyne Cc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2n1 ZINC000587137342 EG Annotated Bother Nc1cc(F)c(-c2nc3ccc(Br)c(F)c3[nH]2)cc1N ZINC000587137352 EG Annotated Anodyne Nc1cc(F)c(-c2nc3ccc(F)c(Br)c3[nH]2)cc1N ZINC000587137388 EG Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 ZINC000587137715 EG Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 ZINC000587138080 EG Annotated Anodyne Oc1nncc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587138186 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587138508 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587138509 EG Annotated Anodyne Oc1nc2cc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3cc2[nH]1 ZINC000587138794 EG Annotated Anodyne Fc1cc(CCc2nc3c(S)nc(S)nc3[nH]2)cc(F)c1F ZINC000587138800 EG Annotated Anodyne O=C1COc2cc3[nH]c(CCc4cc(F)c(F)c(F)c4)nc3cc2N1 ZINC000587138849 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587139164 EG Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1F ZINC000587139300 EG Annotated Bother Nc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1F ZINC000587139696 EG Annotated Anodyne Nc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1F ZINC000587139735 EG Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)ccc2F)cc1 ZINC000587139764 EG Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1F ZINC000587139868 EG Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1 ZINC000587139892 EG Annotated Bother Cc1nc2[nH]c(-c3cc(CO)ccc3F)nc2cc1Br ZINC000587139898 EG Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Cl)ncnc3[nH]2)c1F ZINC000587139901 EG Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3cc(CO)ccc3F)nc2c1 ZINC000587139948 EG Annotated Mild O=[N+]([O-])c1cc(Cl)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1F ZINC000587140278 EG Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(CCO)cc3[nH]2)c1F ZINC000587140310 EG Annotated Bother Nc1ccc(F)c(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587140616 EG Annotated Anodyne OCc1ccc(F)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587140622 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(CO)ccc3F)nc2c1 ZINC000587140770 EG Annotated Anodyne OCc1ccc(F)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587140901 EG Annotated Anodyne Nc1ccc(F)c(Cc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587141058 EG Annotated Anodyne OCc1ccc(F)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587141061 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(CO)ccc3F)nc12 ZINC000587141131 EG Annotated Anodyne OCc1ccc(F)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587141228 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3cc(N)ccc3F)nc2c1 ZINC000587141264 EG Annotated Anodyne Fc1ccc(S)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587141363 EG Annotated Anodyne Cc1nc2[nH]c(Cc3cc(N)ccc3F)nc2cc1Br ZINC000587141420 EG Annotated Anodyne Nc1ccc(F)c(Cc2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587141423 EG Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587141652 EG Annotated Anodyne Fc1ccc(S)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587142571 EG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(S)ccc3F)nc2cc1OC ZINC000587142678 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(S)ccc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587142704 EG Annotated Bother COC(=O)c1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1OC ZINC000587142862 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(C#N)c(F)c3)[nH]c2c1OC ZINC000587143399 EG Annotated Mild Cc1cnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587143721 EG Annotated Anodyne Cc1cnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587143893 EG Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ncc[nH]c-3n2)cc1F ZINC000587144083 EG Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cnncc3[nH]2)cc1F ZINC000587144086 EG Annotated Anodyne Cc1nccc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 ZINC000587144629 EG Annotated Anodyne Cc1nccc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 ZINC000587144631 EG Annotated Anodyne Oc1nc(O)c2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2n1 ZINC000587144852 EG Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1F ZINC000587144988 EG Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1F ZINC000587144992 EG Annotated Anodyne N=c1nc(O)c2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2[nH]1 ZINC000587145101 EG Annotated Anodyne Cc1cncc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587145299 EG Annotated Anodyne Cc1cncc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587145301 EG Annotated Anodyne Cc1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 ZINC000587145414 EG Annotated Anodyne Cc1ccnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 ZINC000587145416 EG Annotated Anodyne N[C@H](Cc1nc2cccnc2[nH]1)c1ccc(Br)cc1F ZINC000587145438 EG Annotated Anodyne N[C@@H](Cc1nc2cccnc2[nH]1)c1ccc(Br)cc1F ZINC000587145439 EG Annotated Anodyne N[C@H](Cc1nc2cnccc2[nH]1)c1ccc(Br)cc1F ZINC000587145487 EG Annotated Anodyne N[C@@H](Cc1nc2cnccc2[nH]1)c1ccc(Br)cc1F ZINC000587145488 EG Annotated Anodyne Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2n1 ZINC000587145515 EG Annotated Anodyne Cc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2n1 ZINC000587145517 EG Annotated Anodyne Oc1nc(O)c2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2n1 ZINC000587145565 EG Annotated Anodyne Fc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F ZINC000587146002 EG Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(C)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587146275 EG Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587147031 EG Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587147232 EG Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncc(F)cc2[nH]1 ZINC000587147464 EG Annotated Anodyne O=C1C[C@@H](c2nc3ccc(O)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147609 EG Annotated Anodyne O=C1C[C@H](c2nc3ccc(O)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147612 EG Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncnc(Cl)c2[nH]1 ZINC000587147677 EG Annotated Anodyne COc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2n1 ZINC000587147766 EG Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Cl)ncc2[nH]1 ZINC000587147966 EG Annotated Anodyne O=C1C[C@@H](c2nc3ccc(F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148008 EG Annotated Anodyne O=C1C[C@H](c2nc3ccc(F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148009 EG Annotated Anodyne COc1ccc(Cc2nc3ccnc(Br)c3[nH]2)c(F)c1 ZINC000587148120 EG Annotated Anodyne COc1ccc(Cc2nc3c(Br)ccnc3[nH]2)c(F)c1 ZINC000587148124 EG Annotated Anodyne COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1OC ZINC000587148136 EG Annotated Bother COc1cncc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 ZINC000587148173 EG Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(CO)ccc2[nH]1 ZINC000587148175 EG Annotated Anodyne Cc1nccc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 ZINC000587148200 EG Annotated Anodyne Cc1nccc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 ZINC000587148202 EG Annotated Anodyne COc1nccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 ZINC000587148298 EG Annotated Anodyne COC(=O)c1ccc2nc(CCc3ccccc3F)[nH]c2c1OC ZINC000587148311 EG Annotated Anodyne Oc1ncnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12 ZINC000587148320 EG Annotated Anodyne Oc1ncnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 ZINC000587148321 EG Annotated Anodyne Cc1cnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587148357 EG Annotated Anodyne Cc1cnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587148360 EG Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3ccc(OC)cc3F)nc2cc1OC ZINC000587148423 EG Annotated Anodyne COc1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(F)c1 ZINC000587148425 EG Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(F)c1 ZINC000587148463 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587148465 EG Annotated Bother Cc1ccnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 ZINC000587148579 EG Annotated Anodyne Cc1ccnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 ZINC000587148580 EG Annotated Anodyne O=C1C[C@@H](c2nc3cccc(F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148621 EG Annotated Anodyne O=C1C[C@H](c2nc3cccc(F)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148623 EG Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1F ZINC000587148806 EG Annotated Bother N[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(F)cc1F ZINC000587148850 EG Annotated Anodyne O=C(O)c1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1F ZINC000587148855 EG Annotated Bother COc1ccc(Cc2nc3ccc(Br)nc3[nH]2)c(F)c1 ZINC000587148907 EG Annotated Anodyne Cc1cc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2cc1[N+](=O)[O-] ZINC000587148935 EG Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3c(F)cnc(Cl)c3[nH]2)cc1F ZINC000587148941 EG Annotated Bother N[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1F ZINC000587148942 EG Annotated Anodyne CC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148978 EG Annotated Bother N#Cc1nc(Cl)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587148989 EG Annotated Mild Cc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 ZINC000587148992 EG Annotated Anodyne Cc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 ZINC000587148995 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3ccc(OC)cc3F)[nH]c2c1 ZINC000587149013 EG Annotated Anodyne N[C@H](c1nc2cc(Br)ncc2[nH]1)c1ccc(F)cc1F ZINC000587149097 EG Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc4cn[nH]c4cc3[nH]2)cc1F ZINC000587149098 EG Annotated Bother O=[N+]([O-])c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587149138 EG Annotated Bother CCOC(=O)c1ccc2nc(Cc3ccc(OC)cc3F)[nH]c2c1 ZINC000587149143 EG Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 ZINC000587149307 EG Annotated Anodyne N[C@H](c1nc2c(Br)ccnc2[nH]1)c1ccc(F)cc1F ZINC000587149352 EG Annotated Anodyne COc1ccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c(F)c1 ZINC000587149422 EG Annotated Anodyne COc1cc(OC)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 ZINC000587149463 EG Annotated Bother COc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(F)c1 ZINC000587149487 EG Annotated Bother COc1ccc(Cc2nc3cncc(Br)c3[nH]2)c(F)c1 ZINC000587149501 EG Annotated Anodyne COc1ccc(Cc2nc3cc(Br)ncc3[nH]2)c(F)c1 ZINC000587149541 EG Annotated Anodyne Cc1cncc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587149615 EG Annotated Anodyne Cc1cncc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587149616 EG Annotated Anodyne O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149631 EG Annotated Anodyne O=C1C[C@H](c2nc3ccccc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149632 EG Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F ZINC000587149770 EG Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F ZINC000587149771 EG Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F ZINC000587149772 EG Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F ZINC000587149773 EG Annotated Anodyne COc1ccc(Cc2nc3cc(Br)cnc3[nH]2)c(F)c1 ZINC000587149925 EG Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(OC)cc3F)[nH]c2c1OC ZINC000587149983 EG Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587150060 EG Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587150063 EG Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587150127 EG Annotated Anodyne COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1F ZINC000587150134 EG Annotated Bother C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587150135 EG Annotated Anodyne O=C1C[C@@H](c2nc3cccc(O)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150266 EG Annotated Anodyne O=C1C[C@H](c2nc3cccc(O)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150267 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@@H]4c4cccc(F)c4F)nc3cc2N1 ZINC000587150319 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4C[C@H]4c4cccc(F)c4F)nc3cc2N1 ZINC000587150321 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4C[C@H]4c4cccc(F)c4F)nc3cc2N1 ZINC000587150323 EG Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4C[C@@H]4c4cccc(F)c4F)nc3cc2N1 ZINC000587150325 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc12 ZINC000587150387 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc12 ZINC000587150388 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc12 ZINC000587150389 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc12 ZINC000587150390 EG Annotated Anodyne Nc1ncnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12 ZINC000587150459 EG Annotated Anodyne Nc1ncnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 ZINC000587150460 EG Annotated Anodyne Fc1ccccc1CCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587150469 EG Annotated Anodyne N[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(F)cc1F ZINC000587150566 EG Annotated Anodyne N[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(F)cc1F ZINC000587150609 EG Annotated Anodyne N[C@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1F ZINC000587150625 EG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cn1 ZINC000587150689 EG Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cn1 ZINC000587150691 EG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cn1 ZINC000587150694 EG Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cn1 ZINC000587150697 EG Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cn1 ZINC000587151092 EG Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cn1 ZINC000587151094 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3ccccc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587151263 EG Annotated Bother N[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(F)cc1F ZINC000587151289 EG Annotated Anodyne COc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cn1 ZINC000587151346 EG Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)nccc2[nH]1 ZINC000587151417 EG Annotated Anodyne N=c1[nH]cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)nc-2[nH]1 ZINC000587151484 EG Annotated Anodyne N=c1[nH]cc2nc([C@H](Nc3ccccc3)c3ccccc3F)nc-2[nH]1 ZINC000587151487 EG Annotated Anodyne Oc1nncc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587151500 EG Annotated Anodyne Oc1nncc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587151501 EG Annotated Anodyne N[C@H](c1nc2cncc(Br)c2[nH]1)c1ccc(F)cc1F ZINC000587151541 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2n1 ZINC000587151542 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2n1 ZINC000587151544 EG Annotated Anodyne N[C@H](c1nc2ccc(Br)nc2[nH]1)c1ccc(F)cc1F ZINC000587151559 EG Annotated Anodyne N[C@H](c1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1F ZINC000587152069 EG Annotated Anodyne N[C@H](c1nc2ccnc(Br)c2[nH]1)c1ccc(F)cc1F ZINC000587152153 EG Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3c(S)nc(S)nc3[nH]2)c1F ZINC000587152269 EG Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3c(S)nc(S)nc3[nH]2)c1F ZINC000587152271 EG Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3c(S)nc(S)nc3[nH]2)c1F ZINC000587152273 EG Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3c(S)nc(S)nc3[nH]2)c1F ZINC000587152275 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc12 ZINC000587152377 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc12 ZINC000587152378 EG Annotated Anodyne COc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1OC ZINC000587153865 EG Annotated Anodyne COc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1OC ZINC000587153866 EG Annotated Anodyne COc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1OC ZINC000587153867 EG Annotated Anodyne COc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1OC ZINC000587153868 EG Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(F)c1O ZINC000587154249 EG Annotated Anodyne Cc1c(Br)cc2nc(-c3nn(C)c(O)c3F)[nH]c2c1C ZINC000587154261 EG Annotated Anodyne N[C@]1(c2nc3cc(Br)ncc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154297 EG Annotated Anodyne N[C@@]1(c2nc3cc(Br)ncc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154298 EG Annotated Anodyne N[C@]1(c2nc3cc(Br)ncc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154299 EG Annotated Anodyne N[C@@]1(c2nc3cc(Br)ncc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154301 EG Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587154517 EG Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587154518 EG Annotated Anodyne Cn1nc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(F)c1O ZINC000587154594 EG Annotated Clean Fc1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)nc1Br ZINC000587154651 EG Annotated Anodyne C[C@@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154656 EG Annotated Bother C[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154659 EG Annotated Bother OCCc1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 ZINC000587154690 EG Annotated Anodyne N#Cc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1C#N ZINC000587154721 EG Annotated Mild CCCc1nc(-c2nc3c(O)nccc3[nH]2)nn1-c1ccccc1F ZINC000587155024 EG Annotated Anodyne N[C@@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155063 EG Annotated Bother N[C@@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155070 EG Annotated Bother N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155075 EG Annotated Bother N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155081 EG Annotated Bother Cn1nc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c1O ZINC000587155086 EG Annotated Anodyne COc1cc(-c2nc3cccc(C#N)c3[nH]2)nn1-c1ccccc1F ZINC000587155261 EG Annotated Mild Cn1nc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1O ZINC000587155638 EG Annotated Anodyne O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)c(Br)n3)nc12 ZINC000587155725 EG Annotated Bother Fc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)nc1Br ZINC000587155753 EG Annotated Anodyne CCCc1nc(-c2nc3ncc(F)cc3[nH]2)nn1-c1ccccc1F ZINC000587155825 EG Annotated Anodyne COc1cc(-c2nc3ccc(CO)cc3[nH]2)nn1-c1ccccc1F ZINC000587155826 EG Annotated Anodyne Oc1nc2cc3[nH]c(-c4ccc(F)c(Br)n4)nc3cc2[nH]1 ZINC000587155846 EG Annotated Anodyne N[C@]1(c2nc3ccnc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587156039 EG Annotated Anodyne N[C@@]1(c2nc3ccnc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156040 EG Annotated Anodyne N[C@]1(c2nc3ccnc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156041 EG Annotated Anodyne N[C@@]1(c2nc3ccnc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587156042 EG Annotated Anodyne C[C@@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156103 EG Annotated Bother C[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156104 EG Annotated Bother Cn1nc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c1O ZINC000587156195 EG Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587156288 EG Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587156289 EG Annotated Anodyne COc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)nn1-c1ccccc1F ZINC000587156338 EG Annotated Anodyne N[C@@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@@H]1c1ccccc1F ZINC000587156433 EG Annotated Anodyne N[C@@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@H]1c1ccccc1F ZINC000587156434 EG Annotated Anodyne N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@@H]1c1ccccc1F ZINC000587156435 EG Annotated Anodyne N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@H]1c1ccccc1F ZINC000587156437 EG Annotated Anodyne N[C@@]1(c2nc3cc(Br)cnc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156440 EG Annotated Anodyne N[C@@]1(c2nc3cc(Br)cnc3[nH]2)C[C@H]1c1ccccc1F ZINC000587156441 EG Annotated Anodyne N[C@]1(c2nc3cc(Br)cnc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587156442 EG Annotated Anodyne N[C@]1(c2nc3cc(Br)cnc3[nH]2)C[C@H]1c1ccccc1F ZINC000587156444 EG Annotated Anodyne C[C@@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156462 EG Annotated Mild C[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156464 EG Annotated Mild C[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156482 EG Annotated Anodyne C[C@@]1(c2nc3ccc(C(=O)O)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156483 EG Annotated Anodyne N[C@@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H]1c1ccccc1F ZINC000587156485 EG Annotated Anodyne N[C@@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H]1c1ccccc1F ZINC000587156487 EG Annotated Anodyne N[C@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H]1c1ccccc1F ZINC000587156489 EG Annotated Anodyne N[C@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H]1c1ccccc1F ZINC000587156491 EG Annotated Anodyne COc1cc(-c2nc3ccc(C#N)cc3[nH]2)nn1-c1ccccc1F ZINC000587156510 EG Annotated Mild Cn1nc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(F)c1O ZINC000587156548 EG Annotated Anodyne Cn1nc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(F)c1O ZINC000587156552 EG Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587156604 EG Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587156605 EG Annotated Anodyne C[C@@]1(c2nc3ccc(CCO)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156713 EG Annotated Anodyne C[C@]1(c2nc3ccc(CCO)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156720 EG Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587156825 EG Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587156827 EG Annotated Anodyne OCCc1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 ZINC000587156930 EG Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587156940 EG Annotated Anodyne N#Cc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1C#N ZINC000587156948 EG Annotated Mild N[C@]1(c2nc3c(Br)ccnc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157039 EG Annotated Anodyne N[C@@]1(c2nc3c(Br)ccnc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157040 EG Annotated Anodyne N[C@]1(c2nc3c(Br)ccnc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157041 EG Annotated Anodyne N[C@@]1(c2nc3c(Br)ccnc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157042 EG Annotated Anodyne Cc1cc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2cc1[N+](=O)[O-] ZINC000587157051 EG Annotated Bother Cc1cc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2cc1[N+](=O)[O-] ZINC000587157052 EG Annotated Bother Cc1cc2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2cc1[N+](=O)[O-] ZINC000587157053 EG Annotated Bother Cc1cc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2cc1[N+](=O)[O-] ZINC000587157054 EG Annotated Bother CCOC(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587157071 EG Annotated Anodyne CCOC(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587157072 EG Annotated Anodyne CCOC(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587157073 EG Annotated Anodyne CCOC(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587157074 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1 ZINC000587157293 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 ZINC000587157294 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 ZINC000587157295 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 ZINC000587157296 EG Annotated Anodyne N[C@]1(c2nc3ccc(Br)nc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157319 EG Annotated Anodyne N[C@@]1(c2nc3ccc(Br)nc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157320 EG Annotated Anodyne N[C@]1(c2nc3ccc(Br)nc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157321 EG Annotated Anodyne N[C@@]1(c2nc3ccc(Br)nc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157322 EG Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587157401 EG Annotated Anodyne Oc1nc2cc3nc(-c4ncc(Br)cc4F)[nH]c3cc2[nH]1 ZINC000587157448 EG Annotated Anodyne O=C(O)c1cccc2nc(-c3ncc(Br)cc3F)[nH]c12 ZINC000587157472 EG Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cnncc3[nH]2)c1 ZINC000587157623 EG Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 ZINC000587157741 EG Annotated Anodyne Nc1ncnc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c12 ZINC000587157751 EG Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)ncnc3[nH]2)cc1 ZINC000587157756 EG Annotated Anodyne N[C@]1(c2nc3cncc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587157835 EG Annotated Anodyne N[C@@]1(c2nc3cncc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157836 EG Annotated Anodyne N[C@]1(c2nc3cncc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157837 EG Annotated Anodyne N[C@@]1(c2nc3cncc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587157838 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 ZINC000587157923 EG Annotated Bother Nc1ncnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 ZINC000587158080 EG Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(F)cc3C#N)nc2c1OC ZINC000587158152 EG Annotated Mild Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000587158155 EG Annotated Anodyne CC(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587158217 EG Annotated Bother COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1OC ZINC000587158265 EG Annotated Bother C[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)C=C(c2ccccc2F)NO1 ZINC000587158275 EG Annotated Anodyne C[C@@]1(c2nc3cc4c(cc3[nH]2)OCO4)C=C(c2ccccc2F)NO1 ZINC000587158279 EG Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ncc(Br)cc3F)[nH]c12 ZINC000587158285 EG Annotated Bother O=C(O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 ZINC000587158383 EG Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587158385 EG Annotated Bother C[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158428 EG Annotated Anodyne C[C@@]1(c2nc3cccc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158431 EG Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H]1c1ccccc1F ZINC000587158550 EG Annotated Anodyne N[C@@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587158554 EG Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587158556 EG Annotated Anodyne N[C@@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H]1c1ccccc1F ZINC000587158558 EG Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(F)cc3C#N)[nH]c2cc1OC ZINC000587158598 EG Annotated Mild O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)nncc3[nH]2)cc1 ZINC000587158630 EG Annotated Anodyne COc1cc(OC)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 ZINC000587158734 EG Annotated Bother Cc1cc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2cc1[N+](=O)[O-] ZINC000587158759 EG Annotated Bother O=[N+]([O-])c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587158770 EG Annotated Bother N#Cc1cc(F)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587158944 EG Annotated Mild N[C@@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587159116 EG Annotated Anodyne N[C@@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H]1c1ccccc1F ZINC000587159117 EG Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587159118 EG Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H]1c1ccccc1F ZINC000587159119 EG Annotated Anodyne N=c1nc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c[nH]1 ZINC000587159275 EG Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587159559 EG Annotated Bother O=C(O)c1cc(F)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587159564 EG Annotated Bother COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1F ZINC000587159584 EG Annotated Bother Oc1nncc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159635 EG Annotated Anodyne O=C(O)c1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1F ZINC000587159736 EG Annotated Bother N#Cc1nc(Cl)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587159752 EG Annotated Mild O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587159796 EG Annotated Bother Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cncnc3[nH]2)c1 ZINC000587159967 EG Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000587160004 EG Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587160032 EG Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)c1 ZINC000587160042 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1OC ZINC000587160073 EG Annotated Bother O=C1CCc2cc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3cc2N1 ZINC000587160173 EG Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587160203 EG Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587160205 EG Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587160237 EG Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587160272 EG Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587160508 EG Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587160656 EG Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587160665 EG Annotated Bother Cc1ccnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 ZINC000587160734 EG Annotated Anodyne Cc1cnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 ZINC000587160848 EG Annotated Anodyne Cc1nccc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 ZINC000587160894 EG Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587161115 EG Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587161116 EG Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587161117 EG Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587161118 EG Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(F)cc(Br)c3)[nH]c12 ZINC000587161300 EG Annotated Bother Fc1cccc(Cn2nnc(-c3nc4cc(F)cnc4[nH]3)c2Cl)c1 ZINC000587161336 EG Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cccnc4[nH]3)c2Cl)c1 ZINC000587161430 EG Annotated Anodyne Cc1cncc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587161466 EG Annotated Anodyne O=C(CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(F)cc1 ZINC000587161682 EG Annotated Anodyne O=C(CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1cccc(F)c1 ZINC000587161727 EG Annotated Anodyne COC(=O)c1cccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 ZINC000587161808 EG Annotated Anodyne O=C(CCc1nc2nc(Br)c[nH]c-2n1)c1ccc(F)cc1 ZINC000587161815 EG Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(O)ncnc2[nH]1 ZINC000587161978 EG Annotated Anodyne O=C(CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)Nc1cccc(F)c1 ZINC000587162178 EG Annotated Anodyne Oc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587162290 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587162339 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587162340 EG Annotated Anodyne O=C1CC=C(c2nc3ccc(F)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162385 EG Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587162460 EG Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587162461 EG Annotated Anodyne O=C1CCc2cc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3cc2N1 ZINC000587162570 EG Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587162851 EG Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587162858 EG Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587162861 EG Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587162864 EG Annotated Anodyne O=C(CCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(F)cc1 ZINC000587162884 EG Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587162894 EG Annotated Bother CN(C)[C@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587162895 EG Annotated Bother Cc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2n1 ZINC000587162987 EG Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cnccc4[nH]3)c2Cl)c1 ZINC000587163080 EG Annotated Anodyne Oc1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587163081 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000587163143 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000587163144 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000587163186 EG Annotated Anodyne COC(=O)c1cccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c12 ZINC000587163205 EG Annotated Anodyne COC(=O)c1cccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c12 ZINC000587163207 EG Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587163247 EG Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587163251 EG Annotated Anodyne O=C(CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587163320 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2c1 ZINC000587163337 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2c1 ZINC000587163339 EG Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587163512 EG Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587163513 EG Annotated Anodyne COc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1OC ZINC000587163522 EG Annotated Anodyne COc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1OC ZINC000587163523 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 ZINC000587163664 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587163945 EG Annotated Anodyne O=C(CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(F)cc1 ZINC000587163948 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587163949 EG Annotated Anodyne O=C(CCc1nc2cc3c(cc2[nH]1)OCCO3)Nc1cccc(F)c1 ZINC000587163953 EG Annotated Anodyne O=C(CCc1nc2c(F)cnc(Cl)c2[nH]1)Nc1cccc(F)c1 ZINC000587163960 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 ZINC000587164019 EG Annotated Mild Cc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 ZINC000587164217 EG Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cnnc(O)c2[nH]1 ZINC000587164230 EG Annotated Anodyne Cc1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587164254 EG Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587164559 EG Annotated Mild CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587164560 EG Annotated Mild CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587164570 EG Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587164571 EG Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587164593 EG Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587164594 EG Annotated Anodyne O=C1CC=C(c2nc3cccc(F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164617 EG Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4c(Cl)ncnc4[nH]3)c2)cc1 ZINC000587164800 EG Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1 ZINC000587164820 EG Annotated Anodyne O=C(O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 ZINC000587164833 EG Annotated Anodyne OCCc1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 ZINC000587165015 EG Annotated Anodyne Oc1nc2cc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3cc2[nH]1 ZINC000587165025 EG Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc5c(cc4[nH]3)OCO5)c2)cc1 ZINC000587165159 EG Annotated Anodyne O=C(O)c1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 ZINC000587165164 EG Annotated Anodyne N#Cc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1C#N ZINC000587165192 EG Annotated Mild Fc1ccc(-c2cnn(Cc3nc4cnc(Cl)[nH]c-4n3)c2)cc1 ZINC000587165335 EG Annotated Anodyne N=c1nc(O)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2[nH]1 ZINC000587165372 EG Annotated Anodyne Oc1nc(O)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2n1 ZINC000587165493 EG Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4nc(Cl)c[nH]c-4n3)c2)cc1 ZINC000587165558 EG Annotated Anodyne O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCCO3)Nc1ccc(F)cc1 ZINC000587166230 EG Annotated Anodyne O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCCO3)Nc1ccc(F)cc1 ZINC000587166232 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587166916 EG Annotated Mild N#Cc1nc(Cl)cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587166919 EG Annotated Mild O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCO3)Nc1ccc(F)cc1 ZINC000587166996 EG Annotated Anodyne O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCO3)Nc1ccc(F)cc1 ZINC000587166997 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587167152 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587167153 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587167154 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587167155 EG Annotated Anodyne O=C(/C=C/c1nc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1 ZINC000587167195 EG Annotated Bother O=C(/C=C\c1nc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1 ZINC000587167196 EG Annotated Bother Nc1ccnc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 ZINC000587167224 EG Annotated Anodyne Nc1ccnc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 ZINC000587167225 EG Annotated Anodyne O=C(/C=C/c1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167348 EG Annotated Anodyne O=C(/C=C\c1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167349 EG Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1OC ZINC000587168386 EG Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(F)cnc4[nH]3)c2C2CC2)cc1 ZINC000587168619 EG Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587168987 EG Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587168988 EG Annotated Anodyne OCc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587169212 EG Annotated Anodyne Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1C ZINC000587169284 EG Annotated Anodyne Cc1ccc(C)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc12 ZINC000587169417 EG Annotated Anodyne COC(=O)c1cc2[nH]c(COc3ccc(F)cc3)nc2cc1OC ZINC000587169434 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(COc3ccc(F)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000587169737 EG Annotated Bother Cc1cc(C)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587169757 EG Annotated Anodyne Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1C ZINC000587169768 EG Annotated Anodyne COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1F ZINC000587170508 EG Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587170592 EG Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587170597 EG Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587170845 EG Annotated Mild C[C@@H](CSc1ccc(F)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587170850 EG Annotated Mild Fc1ccc(OCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587170906 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1F ZINC000587170924 EG Annotated Bother Cc1cc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2cc1[N+](=O)[O-] ZINC000587171280 EG Annotated Bother N#Cc1nc(Cl)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171582 EG Annotated Mild COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1OC ZINC000587171584 EG Annotated Anodyne Fc1cc2c(c(Cc3nc4c(F)cnc(Cl)c4[nH]3)c1)OCOC2 ZINC000587171611 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171618 EG Annotated Bother C[C@H](CSc1ccc(F)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587171622 EG Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587171623 EG Annotated Anodyne C[C@@]1(c2nc3ccc(Cl)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171891 EG Annotated Anodyne C[C@]1(c2nc3ccc(Cl)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171892 EG Annotated Anodyne O=[N+]([O-])c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171900 EG Annotated Bother C[C@@]1(c2nc3ccnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171955 EG Annotated Anodyne C[C@]1(c2nc3ccnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171957 EG Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1 ZINC000587172160 EG Annotated Anodyne CC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587172184 EG Annotated Anodyne COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1C ZINC000587172215 EG Annotated Anodyne C[C@@]1(c2nc3cc(Cl)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172337 EG Annotated Anodyne C[C@]1(c2nc3cc(Cl)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172338 EG Annotated Anodyne C[C@@]1(c2nc3cc(Cl)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172914 EG Annotated Anodyne C[C@]1(c2nc3cc(Cl)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172915 EG Annotated Anodyne C[C@@]1(c2nc3c(Cl)ccnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173087 EG Annotated Anodyne C[C@]1(c2nc3c(Cl)ccnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173088 EG Annotated Anodyne C[C@@]1(c2nc3cncc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173123 EG Annotated Anodyne C[C@]1(c2nc3cncc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173124 EG Annotated Anodyne C[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)Cc2ccc(F)cc2C(=O)O1 ZINC000587173508 EG Annotated Anodyne C[C@@]1(c2nc3cc4c(cc3[nH]2)OCO4)Cc2ccc(F)cc2C(=O)O1 ZINC000587173509 EG Annotated Anodyne C[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173510 EG Annotated Anodyne C[C@@]1(c2nc3cccc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173511 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587173518 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587173519 EG Annotated Anodyne COc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173596 EG Annotated Anodyne COc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173597 EG Annotated Anodyne C[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173721 EG Annotated Anodyne C[C@@]1(c2nc3ccc(C(=O)O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173722 EG Annotated Anodyne Cc1cc2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c(C)n1 ZINC000587173735 EG Annotated Anodyne Cc1cc2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c(C)n1 ZINC000587173736 EG Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587173743 EG Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587173744 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1OC ZINC000587173765 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1OC ZINC000587173766 EG Annotated Anodyne C[C@@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173800 EG Annotated Bother C[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173802 EG Annotated Bother Oc1nc(S)nc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc12 ZINC000587174283 EG Annotated Anodyne N#Cc1nc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2nc1C#N ZINC000587174293 EG Annotated Mild COc1ncc(F)cc1-c1nc2c(Br)cc(C#N)cc2[nH]1 ZINC000587174490 EG Annotated Mild CN(C)C(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587174693 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587174694 EG Annotated Anodyne COc1cccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587174747 EG Annotated Anodyne COc1cccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587174748 EG Annotated Anodyne COc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1F ZINC000587174755 EG Annotated Anodyne COc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1F ZINC000587174759 EG Annotated Anodyne COc1ncc(F)cc1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587174792 EG Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1[N+](=O)[O-] ZINC000587174947 EG Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1[N+](=O)[O-] ZINC000587174948 EG Annotated Bother C[C@@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175009 EG Annotated Bother C[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175011 EG Annotated Bother Fc1cncc(Cl)c1Cc1nc2cc(Br)cnc2[nH]1 ZINC000587175250 EG Annotated Anodyne C[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175266 EG Annotated Anodyne C[C@@]1(c2nc3cc4cn[nH]c4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175267 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587175311 EG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2cc1OC ZINC000587175361 EG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2cc1OC ZINC000587175362 EG Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc(Br)ncc2[nH]1 ZINC000587175369 EG Annotated Anodyne C[C@@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175479 EG Annotated Mild C[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175486 EG Annotated Mild O=C1CCc2cc3nc(Cc4c(F)cncc4Cl)[nH]c3cc2N1 ZINC000587175565 EG Annotated Anodyne N=c1[nH]c2nc(-c3[nH]c4ccc(F)cc4c3Cl)nc-2c(Cl)[nH]1 ZINC000587175673 EG Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587175743 EG Annotated Anodyne Nc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cnc2c(F)cccc12 ZINC000587175765 EG Annotated Anodyne Fc1cccc2c(-c3nc4c(Br)nccc4[nH]3)n[nH]c12 ZINC000587175890 EG Annotated Anodyne COC(=O)c1cccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 ZINC000587175911 EG Annotated Anodyne Nc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cnc2c(F)cccc12 ZINC000587176008 EG Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2ccc(Br)nc2[nH]1 ZINC000587176069 EG Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cncc(Br)c2[nH]1 ZINC000587176109 EG Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587176114 EG Annotated Anodyne COc1ncc(F)cc1-c1nc2nc(C)c(Br)cc2[nH]1 ZINC000587176131 EG Annotated Anodyne COC(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1OC ZINC000587176134 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 ZINC000587176198 EG Annotated Mild COc1ncc(F)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587176432 EG Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000587176443 EG Annotated Anodyne Fc1cccc2c(-c3nc4nc(Br)ccc4[nH]3)n[nH]c12 ZINC000587176461 EG Annotated Anodyne Fc1cccc2c(-c3nc4ncc(Br)cc4[nH]3)n[nH]c12 ZINC000587176481 EG Annotated Anodyne Nc1c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cnc2c(F)cccc12 ZINC000587176485 EG Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cc(F)cnc3OC)[nH]c2c1 ZINC000587176559 EG Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1OC ZINC000587176576 EG Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2ccnc(Br)c2[nH]1 ZINC000587176580 EG Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587176595 EG Annotated Anodyne COc1ncc(F)cc1-c1nc2ncc(Br)c(C)c2[nH]1 ZINC000587176598 EG Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2c(Br)ccnc2[nH]1 ZINC000587176641 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587176676 EG Annotated Anodyne Nc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176729 EG Annotated Anodyne Nc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176731 EG Annotated Anodyne Nc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cnc2c(F)cccc12 ZINC000587176784 EG Annotated Anodyne N#Cc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1C#N ZINC000587176806 EG Annotated Mild COC(=O)c1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1OC ZINC000587176813 EG Annotated Anodyne Fc1cccc2c(-c3nc4nccc(Br)c4[nH]3)n[nH]c12 ZINC000587176900 EG Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 ZINC000587176959 EG Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1OC ZINC000587176975 EG Annotated Anodyne Fc1cccc2c(-c3nc4cnc(Br)cc4[nH]3)n[nH]c12 ZINC000587177020 EG Annotated Anodyne Fc1cccc2c(-c3nc4c(Br)cncc4[nH]3)n[nH]c12 ZINC000587177041 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177153 EG Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 ZINC000587177154 EG Annotated Bother Fc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(N2CCCC2)n1 ZINC000587177178 EG Annotated Anodyne N#Cc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1C#N ZINC000587177218 EG Annotated Mild COC(=O)c1cccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177240 EG Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cncc(F)c3)[nH]c12 ZINC000587177316 EG Annotated Bother O=[N+]([O-])c1cccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177351 EG Annotated Bother N#Cc1nc(Cl)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177352 EG Annotated Mild CN(C)CCOc1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 ZINC000587177384 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1[N+](=O)[O-] ZINC000587177412 EG Annotated Bother Fc1cncc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587177482 EG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cncc(F)c3)[nH]c12 ZINC000587177484 EG Annotated Bother COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1OC ZINC000587177507 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1F ZINC000587177554 EG Annotated Bother COC(=O)c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1OC ZINC000587177647 EG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 ZINC000587177655 EG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 ZINC000587177680 EG Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 ZINC000587177681 EG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1OC ZINC000587177733 EG Annotated Anodyne Fc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)cc(N2CCCC2)n1 ZINC000587177754 EG Annotated Anodyne N#Cc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1C#N ZINC000587177806 EG Annotated Mild O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000587177813 EG Annotated Unstable O=[N+]([O-])c1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587177822 EG Annotated Bother Fc1nc(Cl)ccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587177860 EG Annotated Anodyne Oc1nc2cc3nc(-c4cc(Br)cnc4F)[nH]c3cc2[nH]1 ZINC000587177878 EG Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587177927 EG Annotated Anodyne OCCc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 ZINC000587177978 EG Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cc(Br)cnc3F)[nH]c12 ZINC000587178011 EG Annotated Bother O=[N+]([O-])c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 ZINC000587178210 EG Annotated Bother Fc1ncc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587178248 EG Annotated Anodyne Cc1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2n1 ZINC000587180046 EG Annotated Unstable Cc1cncc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587180779 EG Annotated Unstable Cc1nccc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12 ZINC000587180795 EG Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cccc(O)c3[nH]2)c1 ZINC000587181107 EG Annotated Unstable Cc1ccnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12 ZINC000587181346 EG Annotated Unstable Cc1cnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 ZINC000587181451 EG Annotated Unstable Fc1ccc(I)cc1-c1nc2cccnc2[nH]1 ZINC000587182028 EG Annotated Anodyne Fc1ccc(I)cc1-c1nc2cnccc2[nH]1 ZINC000587182053 EG Annotated Anodyne Ic1cccc(/C=C\c2nc3cncnc3[nH]2)c1 ZINC000587183231 EG Annotated Anodyne Ic1cccc(/C=C/c2nc3cncnc3[nH]2)c1 ZINC000587183232 EG Annotated Anodyne Ic1cccc(/C=C\c2nc3ncc[nH]c-3n2)c1 ZINC000587183846 EG Annotated Anodyne Ic1cccc(/C=C/c2nc3ncc[nH]c-3n2)c1 ZINC000587183847 EG Annotated Anodyne N#Cc1cccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184234 EG Annotated Mild Ic1cccc(/C=C\c2nc3cnncc3[nH]2)c1 ZINC000587184745 EG Annotated Anodyne Ic1cccc(/C=C/c2nc3cnncc3[nH]2)c1 ZINC000587184746 EG Annotated Anodyne Fc1cccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185003 EG Annotated Anodyne N#Cc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 ZINC000587185723 EG Annotated Mild COC(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1OC ZINC000587186923 EG Annotated Reactive COC(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1OC ZINC000587186924 EG Annotated Reactive N#Cc1cc(Br)c2[nH]c(-c3ccc(O)c(C#N)c3)nc2c1 ZINC000587187231 EG Annotated Mild Cc1ccc(/C=C(/C#N)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587187326 EG Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587187329 EG Annotated Reactive COC(=O)c1cc2[nH]c(/C(C#N)=C\c3ccccc3)nc2cc1OC ZINC000587187676 EG Annotated Reactive COC(=O)c1cc2[nH]c(/C(C#N)=C/c3ccccc3)nc2cc1OC ZINC000587187678 EG Annotated Reactive N#Cc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1O ZINC000587187704 EG Annotated Mild Cc1ccc(/C=C(\C#N)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587187880 EG Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587187881 EG Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587187901 EG Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587187902 EG Annotated Reactive C[C@H](C#N)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587187904 EG Annotated Mild C[C@@H](C#N)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587187906 EG Annotated Mild N#Cc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1O ZINC000587188092 EG Annotated Mild N#Cc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1O ZINC000587188207 EG Annotated Mild Cc1ccc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587188227 EG Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587188236 EG Annotated Reactive CC1=C(c2ccc3nc(-c4ccc(C)c(C#N)c4)[nH]c3c2)NNC(=O)C1 ZINC000587188541 EG Annotated Mild Cc1nc2[nH]c(-c3ccc(O)c(C#N)c3)nc2cc1Br ZINC000587188576 EG Annotated Mild Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000587189040 EG Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000587189052 EG Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587189174 EG Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587189175 EG Annotated Reactive N#Cc1cc(O)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587189305 EG Annotated Mild Fc1cnc(Br)c2nc(C=NOCc3ccccc3)[nH]c12 ZINC000587189367 EG Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587189378 EG Annotated Mild CCOC(=O)Cc1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 ZINC000587189393 EG Annotated Mild Brc1cncc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587189471 EG Annotated Mild N#Cc1ccc(OCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587189594 EG Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cncnc2[nH]1 ZINC000587189626 EG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cncnc2[nH]1 ZINC000587189631 EG Annotated Anodyne N#Cc1ccc(OCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587189641 EG Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3cc(O)cc(C#N)c3)nc2c1 ZINC000587189802 EG Annotated Mild N#Cc1cc(O)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587189891 EG Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587189972 EG Annotated Mild Brc1cnc2nc(C=NOCc3ccccc3)[nH]c2c1 ZINC000587189976 EG Annotated Mild N#Cc1ccc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587189979 EG Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587189983 EG Annotated Mild N#Cc1ccc(OCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587190100 EG Annotated Mild CCOC(=O)Cc1ccc2nc(COc3ccc(C#N)cc3)[nH]c2c1 ZINC000587190205 EG Annotated Mild Brc1nccc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587190352 EG Annotated Mild N#Cc1ccc(OCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587190534 EG Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587190613 EG Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587190621 EG Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cnncc2[nH]1 ZINC000587190657 EG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cnncc2[nH]1 ZINC000587190658 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(C#N)cc3)nc2c1 ZINC000587190699 EG Annotated Mild Fc1cc2nc(C=NOCc3ccccc3)[nH]c2cc1-n1cccn1 ZINC000587190730 EG Annotated Mild Brc1ccnc2nc(C=NOCc3ccccc3)[nH]c12 ZINC000587190853 EG Annotated Mild FC1(F)Oc2cc3nc(C=NOCc4ccccc4)[nH]c3cc2O1 ZINC000587190883 EG Annotated Mild Brc1ccc2[nH]c(C=NOCc3ccccc3)nc2n1 ZINC000587190954 EG Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587190958 EG Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587190966 EG Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587190975 EG Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587190977 EG Annotated Mild N#Cc1cc(O)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587191050 EG Annotated Mild Cc1nc2[nH]c(COc3ccc(C#N)cc3)nc2cc1Br ZINC000587191212 EG Annotated Mild Brc1cc2[nH]c(C=NOCc3ccccc3)nc2cn1 ZINC000587191273 EG Annotated Mild N#Cc1ccc(OCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587191313 EG Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ncc[nH]c-2n1 ZINC000587191315 EG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ncc[nH]c-2n1 ZINC000587191323 EG Annotated Anodyne C[C@@H](Oc1ccc(C#N)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587191576 EG Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587191580 EG Annotated Mild N#Cc1ccc(OCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587191724 EG Annotated Mild N#Cc1ccc(OCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000587191752 EG Annotated Mild N#Cc1ccc(OCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000587191785 EG Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587192366 EG Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587192367 EG Annotated Mild Cc1nc2[nH]c(-c3cc(O)cc(C#N)c3)nc2cc1Br ZINC000587192380 EG Annotated Mild CN(CCO)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000587192762 EG Annotated Clean CN(CCO)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 ZINC000587192847 EG Annotated Clean CN(CCO)c1ccc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)cc1 ZINC000587192856 EG Annotated Mild CN(CCO)c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587192899 EG Annotated Clean CN(CCO)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587192987 EG Annotated Clean CN(CCO)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587193031 EG Annotated Clean CN(CCO)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 ZINC000587193228 EG Annotated Clean O=C(O)CCN(CCc1nc2cccc(F)c2[nH]1)Cc1ccccc1 ZINC000587193316 EG Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(F)cc2[nH]1)Cc1ccccc1 ZINC000587193414 EG Annotated Anodyne Cc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 ZINC000587193787 EG Annotated Anodyne Cc1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587193976 EG Annotated Anodyne Cc1cc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587194236 EG Annotated Anodyne Cc1cc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587194237 EG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587194310 EG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587194319 EG Annotated Mild Cc1cc(Br)c2[nH]c(-c3cnc(N(C)C)nc3C)nc2c1 ZINC000587194409 EG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cccc(Br)c2[nH]1 ZINC000587194485 EG Annotated Anodyne Cc1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2cc1Br ZINC000587194524 EG Annotated Anodyne Cc1nc2nc(-c3ccc(N(C)C)cn3)[nH]c2cc1Br ZINC000587194527 EG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587194717 EG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587194719 EG Annotated Anodyne CN(C)c1ccc(-c2nc3c(Br)cc(C#N)cc3[nH]2)nc1 ZINC000587194721 EG Annotated Mild CN(C)c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)nc1 ZINC000587194775 EG Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587195057 EG Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587195060 EG Annotated Anodyne Nc1ncnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587195238 EG Annotated Anodyne CN(C)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)nc1 ZINC000587195270 EG Annotated Anodyne CN(C)c1ncccc1-c1nc2c(Br)cc(C#N)cc2[nH]1 ZINC000587195423 EG Annotated Mild Cc1nc(N(C)C)ncc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587195451 EG Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cccnc3N(C)C)[nH]c2c1 ZINC000587195540 EG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587195599 EG Annotated Anodyne CN(C)c1ncccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587195608 EG Annotated Anodyne Cc1nc2nc(-c3cccnc3N(C)C)[nH]c2cc1Br ZINC000587195956 EG Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587196056 EG Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587196057 EG Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587196070 EG Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587196072 EG Annotated Anodyne CN(C)c1ncccc1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587196167 EG Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587196321 EG Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587196328 EG Annotated Anodyne Oc1ncnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587196339 EG Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587196543 EG Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587196544 EG Annotated Anodyne Oc1nncc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587196776 EG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(O)cc2[nH]1)C[C@H]1CCCO1 ZINC000587196784 EG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(O)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587196785 EG Annotated Anodyne Cc1nccc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc12 ZINC000587196822 EG Annotated Anodyne Cc1nccc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc12 ZINC000587196824 EG Annotated Anodyne CN(C)C(=O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587197103 EG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccccc2[nH]1)C[C@H]1CCCO1 ZINC000587197114 EG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccccc2[nH]1)C[C@@H]1CCCO1 ZINC000587197115 EG Annotated Anodyne Cc1cncc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587197192 EG Annotated Anodyne Cc1cncc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587197193 EG Annotated Anodyne Cc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587197223 EG Annotated Anodyne Cc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587197224 EG Annotated Anodyne Cc1ccnc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc12 ZINC000587197238 EG Annotated Anodyne Cc1ccnc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc12 ZINC000587197239 EG Annotated Anodyne CC(C)[C@H](c1nc2cc(N)c(N)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197565 EG Annotated Anodyne CC(C)[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197609 EG Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2cccc(O)c2[nH]1)C[C@H]1CCCO1 ZINC000587197641 EG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(O)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197642 EG Annotated Anodyne Cc1cnc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587197887 EG Annotated Anodyne Cc1cnc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587197888 EG Annotated Anodyne CC(C)[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198069 EG Annotated Bother CC(C)[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C ZINC000587198188 EG Annotated Bother CC(C)[C@@H](c1nc2ncc[nH]c-2n1)N(C)C(=O)OCc1ccccc1 ZINC000587198223 EG Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C ZINC000587198286 EG Annotated Bother CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccnc2[nH]1 ZINC000587198400 EG Annotated Anodyne CC(C)[C@@H](c1nc2ccc(I)cc2[nH]1)N(C)C ZINC000587198543 EG Annotated Anodyne CC(C)[C@@H](c1nc2cccc(I)c2[nH]1)N(C)C ZINC000587198549 EG Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C ZINC000587198967 EG Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C ZINC000587199128 EG Annotated Anodyne COC(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2n1 ZINC000587201138 EG Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587201159 EG Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587201200 EG Annotated Bother CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccnc(O)c2[nH]1 ZINC000587201205 EG Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587201445 EG Annotated Anodyne COC(=O)c1cc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2cn1 ZINC000587201479 EG Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587201484 EG Annotated Bother COC(=O)c1ccnc2[nH]c(C(C)(C)Nc3ccc(OC)cc3)nc12 ZINC000587201851 EG Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(N)ccnc2[nH]1 ZINC000587201877 EG Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000587201888 EG Annotated Anodyne C=C(NC(C)=O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587202221 EG Annotated Anodyne C=C(NC(C)=O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587202285 EG Annotated Anodyne C=C(NC(C)=O)c1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587202806 EG Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccnc3[nH]2)c1 ZINC000587202948 EG Annotated Anodyne C=C(NC(C)=O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587203364 EG Annotated Anodyne C=C(NC(C)=O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587203946 EG Annotated Anodyne C=C(NC(C)=O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587204023 EG Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cnccc3[nH]2)c1 ZINC000587204609 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)c1ccc(C)cc1 ZINC000587205437 EG Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Cl)ccnc2[nH]1)c1ccc(C)cc1 ZINC000587205440 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(N)c(N)cc2[nH]1)C(C)(C)C ZINC000587205558 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(N)c(N)cc2[nH]1)C(C)(C)C ZINC000587205560 EG Annotated Anodyne CC(=O)Cc1nc2cccc3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000587205655 EG Annotated Anodyne COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cn1 ZINC000587206083 EG Annotated Anodyne COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cn1 ZINC000587206085 EG Annotated Anodyne COc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1F ZINC000587206386 EG Annotated Anodyne COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1F ZINC000587206389 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)c1ccc(C)cc1 ZINC000587206582 EG Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Cl)nc2[nH]1)c1ccc(C)cc1 ZINC000587206589 EG Annotated Anodyne O=C(O)CCC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206745 EG Annotated Anodyne O=C(O)CCc1c(C(=O)O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206750 EG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)c1ccc(C)cc1 ZINC000587206801 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)c1ccc(C)cc1 ZINC000587206803 EG Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O ZINC000587207343 EG Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O ZINC000587207345 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cncc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587207372 EG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cncc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587207373 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587207393 EG Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587207394 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)c1ccc(C)cc1 ZINC000587207429 EG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)c1ccc(C)cc1 ZINC000587207430 EG Annotated Anodyne CS(=O)(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208643 EG Annotated Anodyne CS(=O)(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208646 EG Annotated Anodyne CCS(=O)(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208910 EG Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)C(F)(F)Br ZINC000587209022 EG Annotated Anodyne Cn1ccnc1[C@@](O)(Cc1cc2c3c(cccc3n1)CC2)C(F)(F)F ZINC000587210205 EG Annotated Anodyne Cn1ccnc1[C@](O)(Cc1cc2c3c(cccc3n1)CC2)C(F)(F)F ZINC000587210206 EG Annotated Anodyne NC(=O)Cn1cc(-c2cc3c4c(cccc4n2)CC3)c2ccccc21 ZINC000587210433 EG Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]1c1cc2c3c(cccc3n1)CC2 ZINC000587210716 EG Annotated Clean O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]1c1cc2c3c(cccc3n1)CC2 ZINC000587210719 EG Annotated Clean Cc1nc2cccc3c2c(c1CCOc1ccccc1C(N)=O)CC3 ZINC000587211153 EG Annotated Anodyne Cc1nc2cccc3c2c(c1CCN1C(=O)c2ccccc2C1=O)CC3 ZINC000587211178 EG Annotated Anodyne N=c1nc2c(c[nH]1)-c1nc3cccc4c3c(c1[C@@H](c1ccco1)C2)CC4 ZINC000587211263 EG Annotated Anodyne N=c1nc2c(c[nH]1)-c1nc3cccc4c3c(c1[C@H](c1ccco1)C2)CC4 ZINC000587211266 EG Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)CC3)cnc2cc(C(=O)O)nn12 ZINC000587211312 EG Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)c1cc2c3c(cccc3n1)CC2 ZINC000587211320 EG Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)c1cc2c3c(cccc3n1)CC2 ZINC000587211322 EG Annotated Anodyne Nc1ccc(N2CCOCC2)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587211343 EG Annotated Anodyne CCOC(=O)C[C@H](Cc1cc2c3c(cccc3n1)CC2)C(=O)OCC ZINC000587211420 EG Annotated Anodyne CCOC(=O)C[C@@H](Cc1cc2c3c(cccc3n1)CC2)C(=O)OCC ZINC000587211421 EG Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1CC3 ZINC000587211476 EG Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1CC3 ZINC000587211478 EG Annotated Anodyne C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1CC3 ZINC000587211480 EG Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1CC3 ZINC000587211481 EG Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cnc2cccc3c2c1CC3 ZINC000587211505 EG Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1cccc([N+](=O)[O-])c1 ZINC000587211622 EG Annotated Bother O=C1Cc2c(nc3cccc4c3c2CC4)CCN1Cc1ccccc1 ZINC000587211709 EG Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)CC3)cnc2c(C(=O)O)cnn12 ZINC000587211724 EG Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc2nc(O)[nH]c2c1 ZINC000587211740 EG Annotated Anodyne CN1C(=O)[C@@H](c2cc3c4c(cccc4n2)CC3)C(=O)c2ccccc21 ZINC000587211827 EG Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)c2ccccc21 ZINC000587211830 EG Annotated Anodyne NC(=O)c1ccccc1OCCCc1cc2c3c(cccc3n1)CC2 ZINC000587211879 EG Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc(C)n2C)-c2nc3cccc4c3c(c21)CC4 ZINC000587211962 EG Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)-c2nc3cccc4c3c(c21)CC4 ZINC000587211963 EG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1c(C)nc2cccc3c2c1CC3 ZINC000587211975 EG Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1c(C)nc2cccc3c2c1CC3 ZINC000587211977 EG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc2cccc3c2c(c1CCC=O)CC3 ZINC000587212059 EG Annotated Mild O=CNc1ccccc1-c1nc2cccc3c2c(c1CC(=O)O)CC3 ZINC000587212112 EG Annotated Anodyne CN(C)C(=O)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587212625 EG Annotated Anodyne O=C1C=CC(=O)N1c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587212681 EG Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1cc2c3c(cccc3n1)CC2 ZINC000587212908 EG Annotated Anodyne COc1ccccc1CNC(=O)Cc1cc2c3c(cccc3n1)CC2 ZINC000587213133 EG Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCc1c-2nc2cccc3c2c1CC3 ZINC000587213208 EG Annotated Anodyne CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1 ZINC000587213267 EG Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1cnc2cccc3c2c1CC3 ZINC000587213286 EG Annotated Anodyne O=C(O)C1=C[C@@H](c2cc3c4c(cccc4n2)CC3)N(c2ccccc2)N1 ZINC000587213369 EG Annotated Anodyne O=C(O)C1=C[C@H](c2cc3c4c(cccc4n2)CC3)N(c2ccccc2)N1 ZINC000587213370 EG Annotated Anodyne Nc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1N1CCOCC1 ZINC000587213373 EG Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)CCc1cnc2cccc3c2c1CC3 ZINC000587213967 EG Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c(O)c1 ZINC000587214212 EG Annotated Anodyne O[C@]1(c2ccc3c(c2)OCO3)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587215388 EG Annotated Anodyne O[C@@]1(c2ccc3c(c2)OCO3)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587215390 EG Annotated Anodyne O=C(O)Cc1c(CC(=O)c2ccccc2)nc2cccc3c2c1CC3 ZINC000587215901 EG Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)nc2cccc3c2c1CC3 ZINC000587216263 EG Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)CC4 ZINC000587216602 EG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)CC4 ZINC000587216603 EG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)CC4 ZINC000587216604 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(C)cc1 ZINC000587216670 EG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(C)cc1 ZINC000587216671 EG Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587216687 EG Annotated Anodyne COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1S(C)(=O)=O ZINC000587216704 EG Annotated Anodyne CN(C)S(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 ZINC000587216771 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C)cc1 ZINC000587217213 EG Annotated Bother CC(=O)N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C)cc1 ZINC000587217214 EG Annotated Bother CC(=O)N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587217433 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(C)cc1 ZINC000587217437 EG Annotated Anodyne NS(=O)(=O)c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Cl ZINC000587217551 EG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 ZINC000587217591 EG Annotated Bother CC(=O)N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 ZINC000587217592 EG Annotated Bother CN(C)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587217822 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587220488 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587220491 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587220498 EG Annotated Mild CN[C@H](c1cccnc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587220509 EG Annotated Mild Nc1ccnc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 ZINC000587220888 EG Annotated Anodyne Nc1ccnc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12 ZINC000587220890 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587222493 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587222497 EG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc3ncccc3c2[nH]1 ZINC000587223262 EG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc3ncccc3c2[nH]1 ZINC000587223276 EG Annotated Anodyne CSc1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1 ZINC000587223285 EG Annotated Anodyne CSc1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1 ZINC000587223290 EG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cnc3ccccc3c2[nH]1 ZINC000587223382 EG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cnc3ccccc3c2[nH]1 ZINC000587223384 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587223411 EG Annotated Bother CN[C@H](c1cccnc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587223412 EG Annotated Bother CN[C@H](c1cccnc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587223493 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587223494 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587223676 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587223677 EG Annotated Anodyne Cc1c(F)ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 ZINC000587223731 EG Annotated Anodyne Cc1c(F)ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 ZINC000587223732 EG Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 ZINC000587223835 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587224163 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587224164 EG Annotated Anodyne Cc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1F ZINC000587224395 EG Annotated Anodyne Cc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1F ZINC000587224398 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587224909 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587224912 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc[nH]c(=N)c2[nH]1)C1CCCC1 ZINC000587224920 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc[nH]c(=N)c2[nH]1)C1CCCC1 ZINC000587224922 EG Annotated Anodyne Cc1cc(F)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2c1 ZINC000587224935 EG Annotated Anodyne Cc1cc(F)c2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2c1 ZINC000587224937 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587225045 EG Annotated Bother CN[C@H](c1cccnc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587225048 EG Annotated Bother CC(C)(C)OC(=O)N[C@H](c1nc2cc(N)c(N)cc2[nH]1)C1CCCC1 ZINC000587225267 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(N)c(N)cc2[nH]1)C1CCCC1 ZINC000587225269 EG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(Cl)c2[nH]1 ZINC000587225315 EG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(Cl)c2[nH]1 ZINC000587225317 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587225323 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587225326 EG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587225353 EG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587225354 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587225376 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587225378 EG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc12 ZINC000587225392 EG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc12 ZINC000587225398 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccnc(O)c2[nH]1)C1CCCC1 ZINC000587225584 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccnc(O)c2[nH]1)C1CCCC1 ZINC000587225585 EG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587225793 EG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587225794 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587225860 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587225861 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587225906 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587225908 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(=N)[nH]cc2[nH]1)C1CCCC1 ZINC000587225924 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(=N)[nH]cc2[nH]1)C1CCCC1 ZINC000587225926 EG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587225980 EG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587225981 EG Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1)c1ccccc1 ZINC000587226006 EG Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1)c1ccccc1 ZINC000587226008 EG Annotated Anodyne C=CCc1cccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 ZINC000587226142 EG Annotated Mild C=CCc1cccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 ZINC000587226146 EG Annotated Mild C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587226269 EG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587226272 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(N)ccnc2[nH]1)C1CCCC1 ZINC000587227201 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(N)ccnc2[nH]1)C1CCCC1 ZINC000587227202 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587228272 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587228312 EG Annotated Bother CCCCCCCC(=O)NCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587228353 EG Annotated Mild O=C(NCCc1nc2c(F)cnc(Cl)c2[nH]1)OCc1ccccc1 ZINC000587228359 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2c(Cl)ncnc2[nH]1 ZINC000587228405 EG Annotated Anodyne COc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cn1 ZINC000587228443 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cccc(C(N)=O)c2[nH]1 ZINC000587228648 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587228718 EG Annotated Bother CCCCCCCC(=O)NCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587228872 EG Annotated Mild COc1ccc(C)cc1NCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587228884 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccnc(OC)c2[nH]1 ZINC000587228904 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587228920 EG Annotated Anodyne COc1ccc2nc(CCCNc3cc(C)ccc3OC)[nH]c2n1 ZINC000587229072 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(CCO)cc2[nH]1 ZINC000587229174 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cncc(OC)c2[nH]1 ZINC000587229182 EG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587229321 EG Annotated Anodyne CCNC(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587230039 EG Annotated Anodyne CCNC(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587230046 EG Annotated Anodyne CCc1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230126 EG Annotated Anodyne CCc1ccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230130 EG Annotated Anodyne CCc1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230132 EG Annotated Anodyne CCc1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230134 EG Annotated Anodyne CCNC(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587230161 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(SC)cc2[nH]1 ZINC000587230527 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(SC)cc2[nH]1 ZINC000587230530 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(SC)cc2[nH]1 ZINC000587230532 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(SC)cc2[nH]1 ZINC000587230533 EG Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000587230544 EG Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3c(N)ccnc3[nH]2)c1 ZINC000587230668 EG Annotated Mild COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587231123 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587231127 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587231129 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(Cl)c2[nH]1 ZINC000587231130 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)cc(F)c2[nH]1 ZINC000587231489 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)cc(F)c2[nH]1 ZINC000587231490 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)cc(F)c2[nH]1 ZINC000587231494 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)cc(F)c2[nH]1 ZINC000587231496 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000587231760 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000587231761 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000587231762 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000587231763 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)c(F)cc2[nH]1 ZINC000587231779 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)c(F)cc2[nH]1 ZINC000587231780 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)c(F)cc2[nH]1 ZINC000587231781 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)c(F)cc2[nH]1 ZINC000587231782 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(F)c(C)c2[nH]1 ZINC000587231802 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(F)c(C)c2[nH]1 ZINC000587231803 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(F)c(C)c2[nH]1 ZINC000587231804 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(F)c(C)c2[nH]1 ZINC000587231805 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C)c(C)c2[nH]1 ZINC000587232045 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C)c(C)c2[nH]1 ZINC000587232046 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C)c(C)c2[nH]1 ZINC000587232047 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C)c(C)c2[nH]1 ZINC000587232048 EG Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587232207 EG Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)cc(C)c2[nH]1 ZINC000587232245 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)cc(C)c2[nH]1 ZINC000587232246 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)cc(C)c2[nH]1 ZINC000587232247 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)cc(C)c2[nH]1 ZINC000587232248 EG Annotated Anodyne C=CCc1cccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c12 ZINC000587232444 EG Annotated Mild C=CCc1cccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c12 ZINC000587232446 EG Annotated Mild C=CCc1cccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c12 ZINC000587232447 EG Annotated Mild C=CCc1cccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c12 ZINC000587232449 EG Annotated Mild COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(C)ccc(C)c2[nH]1 ZINC000587232566 EG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(C)ccc(C)c2[nH]1 ZINC000587232567 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(C)ccc(C)c2[nH]1 ZINC000587232568 EG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(C)ccc(C)c2[nH]1 ZINC000587232569 EG Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587232651 EG Annotated Bother Nc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1N ZINC000587232688 EG Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 ZINC000587232802 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587232822 EG Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587232830 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587232882 EG Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587232883 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000587232914 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587232964 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000587232967 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587233007 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587233055 EG Annotated Anodyne COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587233056 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587233085 EG Annotated Anodyne COc1cncc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233103 EG Annotated Anodyne COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587233127 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587233133 EG Annotated Bother COc1cncc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233137 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587233148 EG Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000587233304 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(CO)cc2[nH]1 ZINC000587233342 EG Annotated Anodyne COc1nccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233495 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587233527 EG Annotated Anodyne COc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587233534 EG Annotated Anodyne COc1nccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587233545 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587233618 EG Annotated Anodyne COc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587233631 EG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(O)c3[nH]2)CCC(=O)CC1 ZINC000587233713 EG Annotated Anodyne COc1cc(OC)c2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc2c1 ZINC000587233718 EG Annotated Anodyne CC(=O)NC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCC(C)CC1 ZINC000587233737 EG Annotated Bother Cc1cncc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 ZINC000587233847 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1 ZINC000587233967 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587234043 EG Annotated Anodyne CCOC(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1 ZINC000587234173 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1 ZINC000587234235 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587234309 EG Annotated Anodyne Cc1ccnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12 ZINC000587234387 EG Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2n1 ZINC000587234395 EG Annotated Anodyne CC(=O)NC1(c2nc3cc(Cl)nc(C#N)c3[nH]2)CCC(C)CC1 ZINC000587234627 EG Annotated Mild CC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCC(C)CC1 ZINC000587234734 EG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccccc3[nH]2)CCC(=O)CC1 ZINC000587234758 EG Annotated Anodyne Cc1cnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 ZINC000587234792 EG Annotated Anodyne COc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1OC ZINC000587234813 EG Annotated Anodyne Cc1nccc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12 ZINC000587234909 EG Annotated Anodyne CC(=O)NC1(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CCC(C)CC1 ZINC000587234957 EG Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3ccc(O)cc3[nH]2)CCC(=O)CC1 ZINC000587234993 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(N)ccnc2[nH]1 ZINC000587235740 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000587235995 EG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccnc(O)c2[nH]1 ZINC000587236001 EG Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(C(=O)NN)cc4[nH]3)CCCC2)cc1 ZINC000587237218 EG Annotated Reactive CC(C)(C)OC(=O)NC1(c2nc3cccc(F)c3[nH]2)CCC(O)CC1 ZINC000587237220 EG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(F)cc3[nH]2)CCC(O)CC1 ZINC000587237270 EG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccccc3[nH]2)CCC(O)CC1 ZINC000587237485 EG Annotated Anodyne Cc1ccc(NC2(c3nc4nc(C#N)c(C#N)nc4[nH]3)CCCC2)cc1 ZINC000587237820 EG Annotated Mild Cc1cccc(NC(=O)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1C ZINC000587238518 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C ZINC000587238523 EG Annotated Bother Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587238602 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1C ZINC000587238898 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1C ZINC000587238977 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1C ZINC000587238983 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1C ZINC000587239001 EG Annotated Mild Cc1c(NC(N)=O)cccc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587239062 EG Annotated Anodyne COC(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 ZINC000587239243 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc4c(cc3[nH]2)OCCO4)c1C ZINC000587239509 EG Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587239586 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1C ZINC000587239592 EG Annotated Anodyne Cc1cc2[nH]c(-c3cccc(NC(N)=O)c3C)nc2cc1[N+](=O)[O-] ZINC000587239611 EG Annotated Bother COc1cc(OC)c2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000587239629 EG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 ZINC000587239720 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(C#N)c(C#N)cc3[nH]2)c1C ZINC000587239778 EG Annotated Mild Cc1c(NC(N)=O)cccc1-c1nc2cncc(Br)c2[nH]1 ZINC000587239790 EG Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587239791 EG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1C ZINC000587239794 EG Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c[nH]c(=N)[nH]c-3n2)c1 ZINC000587240176 EG Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(N)ncnc2[nH]1 ZINC000587240276 EG Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587240300 EG Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587240325 EG Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587240546 EG Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(C#N)nc(Cl)cc2[nH]1 ZINC000587240612 EG Annotated Mild CCc1ccccc1NC(=O)c1nc2cc3c(cc2[nH]1)CCC(=O)N3 ZINC000587240983 EG Annotated Anodyne CCc1ccccc1NC(=O)c1nc2nc(C(F)(F)F)ncc2[nH]1 ZINC000587241033 EG Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587241126 EG Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(C(=O)O)cc(F)cc2[nH]1 ZINC000587241167 EG Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cnnc(O)c2[nH]1 ZINC000587241319 EG Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(O)ncnc2[nH]1 ZINC000587241333 EG Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587241351 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(=N)[nH]cc3[nH]2)c1 ZINC000587241466 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cnncc3[nH]2)c1 ZINC000587241537 EG Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(OC)cc(OC)cc2[nH]1 ZINC000587241543 EG Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3ccnc(Br)c3[nH]2)c1 ZINC000587241843 EG Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Br)ncc3[nH]2)c1 ZINC000587241847 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc[nH]c(=N)c3[nH]2)c1 ZINC000587241943 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cncnc3[nH]2)c1 ZINC000587241978 EG Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3c(Br)ccnc3[nH]2)c1 ZINC000587242064 EG Annotated Anodyne Cc1nc2[nH]c(-c3cccc(NC(N)=O)c3)nc2cc1Br ZINC000587242167 EG Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000587242474 EG Annotated Bother CC(=O)Nc1cccc(Cc2nc3cncc(Br)c3[nH]2)c1 ZINC000587242506 EG Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2c1 ZINC000587242507 EG Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3ccc(Br)nc3[nH]2)c1 ZINC000587242531 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(N)ccnc3[nH]2)c1 ZINC000587242547 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000587242654 EG Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587242685 EG Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ncc[nH]c-3n2)c1 ZINC000587242687 EG Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587242829 EG Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000587242859 EG Annotated Mild O=C(/C=C\c1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1ccccc1 ZINC000587243887 EG Annotated Anodyne O=C(/C=C/c1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1ccccc1 ZINC000587243889 EG Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cncc(C)c3[nH]2)cc1 ZINC000587243958 EG Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(C)ccnc3[nH]2)cc1 ZINC000587244370 EG Annotated Anodyne COc1nccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c12 ZINC000587244400 EG Annotated Anodyne NCCOCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587245049 EG Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cn1 ZINC000587245129 EG Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(C)nccc3[nH]2)cc1 ZINC000587245344 EG Annotated Anodyne NCCOCCOCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587245479 EG Annotated Bother O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCCCO3)Nc1ccccc1 ZINC000587245545 EG Annotated Anodyne O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCCCO3)Nc1ccccc1 ZINC000587245547 EG Annotated Anodyne NCc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587245625 EG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc(CN)c3)nc2c1 ZINC000587245627 EG Annotated Mild NCc1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587246035 EG Annotated Bother NCc1cccc(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587246052 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(F)cnc(Cl)c3[nH]1)C2 ZINC000587246175 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(F)cnc(Cl)c3[nH]1)C2 ZINC000587246177 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(C)=O)cc3[nH]1)C2 ZINC000587246214 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(C)=O)cc3[nH]1)C2 ZINC000587246218 EG Annotated Anodyne NCc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587246320 EG Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587246449 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)c(F)c(F)c3[nH]1)C2 ZINC000587246512 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)c(F)c(F)c3[nH]1)C2 ZINC000587246520 EG Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cn1 ZINC000587246565 EG Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cnnc(O)c2[nH]1 ZINC000587246598 EG Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cn1 ZINC000587246609 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)c(F)cc3[nH]1)C2 ZINC000587246621 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)c(F)cc3[nH]1)C2 ZINC000587246623 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(F)c(C)c3[nH]1)C2 ZINC000587246661 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(F)c(C)c3[nH]1)C2 ZINC000587246665 EG Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587246857 EG Annotated Anodyne NCc1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587246860 EG Annotated Bother NCc1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587246864 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C)c(F)cc3[nH]1)C2 ZINC000587246880 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C)c(F)cc3[nH]1)C2 ZINC000587246884 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc4ncccc4c3[nH]1)C2 ZINC000587246920 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc4ncccc4c3[nH]1)C2 ZINC000587246922 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C)cc(F)c3[nH]1)C2 ZINC000587246978 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C)cc(F)c3[nH]1)C2 ZINC000587246981 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(F)c(F)c3[nH]1)C2 ZINC000587246999 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(F)c(F)c3[nH]1)C2 ZINC000587247001 EG Annotated Anodyne NCc1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587247168 EG Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(N)ncnc2[nH]1 ZINC000587247184 EG Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCOC1 ZINC000587247235 EG Annotated Anodyne N[C@@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCOC1 ZINC000587247236 EG Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587247414 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(C)cnc(Cl)c3[nH]1)C2 ZINC000587247421 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(C)cnc(Cl)c3[nH]1)C2 ZINC000587247422 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)cc(F)c3[nH]1)C2 ZINC000587247490 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)cc(F)c3[nH]1)C2 ZINC000587247492 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cnc4ccccc4c3[nH]1)C2 ZINC000587247642 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cnc4ccccc4c3[nH]1)C2 ZINC000587247643 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)c(C)cc3[nH]1)C2 ZINC000587247677 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)c(C)cc3[nH]1)C2 ZINC000587247678 EG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)c(F)cc3[nH]1)C2 ZINC000587247850 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)c(F)cc3[nH]1)C2 ZINC000587247851 EG Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(O)ncnc2[nH]1 ZINC000587247904 EG Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cn1 ZINC000587247905 EG Annotated Anodyne N#Cc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1C(F)(F)F ZINC000587248042 EG Annotated Mild Nc1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1C(=O)O ZINC000587248053 EG Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2cccc(Br)c2[nH]1 ZINC000587248084 EG Annotated Anodyne Nc1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1C(=O)O ZINC000587248277 EG Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587248329 EG Annotated Anodyne N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCOC1 ZINC000587248402 EG Annotated Anodyne N[C@@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCOC1 ZINC000587248403 EG Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2ccc(Br)cc2[nH]1 ZINC000587248436 EG Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587248527 EG Annotated Anodyne Nc1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C(=O)O ZINC000587248543 EG Annotated Bother Cc1nc2[nH]c(-c3ccc(N)c(C#N)c3)nc2cc1Br ZINC000587248666 EG Annotated Mild Nc1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C(=O)O ZINC000587248785 EG Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587248799 EG Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587248822 EG Annotated Anodyne N#Cc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1C(F)(F)F ZINC000587248829 EG Annotated Mild Cc1ccc2c(ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c32)n1 ZINC000587248833 EG Annotated Anodyne Nc1cccc(-c2nc3cccc(Br)c3[nH]2)c1C(=O)O ZINC000587248875 EG Annotated Anodyne COc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Cl ZINC000587248921 EG Annotated Anodyne N#Cc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1N ZINC000587248936 EG Annotated Mild Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587248951 EG Annotated Anodyne COc1cc(C)c(N)c(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587248953 EG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(N)c(C#N)c3)nc2c1 ZINC000587248957 EG Annotated Mild CC(C)Oc1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 ZINC000587248974 EG Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587248979 EG Annotated Anodyne Nc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1CC(=O)O ZINC000587248984 EG Annotated Anodyne Nc1cccc(O)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587249002 EG Annotated Bother N#Cc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1N ZINC000587249168 EG Annotated Mild COc1cc(C)c(N)c(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587249246 EG Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587249273 EG Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c32)n1 ZINC000587249361 EG Annotated Anodyne COc1cc(C)c(N)c(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587249513 EG Annotated Anodyne N=c1cc[nH]cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587249559 EG Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587249653 EG Annotated Anodyne Cc1ccc(CCc2nc3ccnc(Br)c3[nH]2)cc1N ZINC000587249737 EG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3c(N)cccc3O)nc2c1 ZINC000587249836 EG Annotated Mild Nc1cc(C(=O)O)ccc1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587249886 EG Annotated Anodyne Nc1ccccc1-c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587249892 EG Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587250081 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(OC)cc(C)c3N)[nH]c2c1 ZINC000587250163 EG Annotated Anodyne N=c1cc[nH]cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587250176 EG Annotated Anodyne Cc1ccc(CCc2nc3cc(Br)cnc3[nH]2)cc1N ZINC000587250180 EG Annotated Anodyne Nc1cc(-c2nc3cccc(Br)c3[nH]2)ccc1CC(=O)O ZINC000587250306 EG Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000587250309 EG Annotated Anodyne COc1cc(C)c(N)c(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587250316 EG Annotated Anodyne N#Cc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1N ZINC000587250354 EG Annotated Mild Nc1cc(C(=O)O)ccc1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587250439 EG Annotated Anodyne Nc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1CC(=O)O ZINC000587250452 EG Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2ccc(Br)cc2[nH]1 ZINC000587250498 EG Annotated Anodyne Cc1ccc(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1N ZINC000587250507 EG Annotated Bother COc1cc(C)c(N)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1 ZINC000587250522 EG Annotated Anodyne Cc1ccc(CCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1N ZINC000587250541 EG Annotated Anodyne Cc1ccc(CCc2nc3ccc(Br)nc3[nH]2)cc1N ZINC000587250553 EG Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587250562 EG Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587250563 EG Annotated Anodyne N=c1nc2nc(-c3ccc(-c4ccccc4N)cc3)[nH]c2c(Cl)[nH]1 ZINC000587250572 EG Annotated Anodyne Cc1ccc(CCc2nc3c(Br)ccnc3[nH]2)cc1N ZINC000587250617 EG Annotated Anodyne Cc1ccc(CCc2nc3cc(Br)ncc3[nH]2)cc1N ZINC000587250634 EG Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cccc(Br)c2[nH]1 ZINC000587250698 EG Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587250732 EG Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587250738 EG Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587250772 EG Annotated Anodyne Nc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1CC(=O)O ZINC000587250790 EG Annotated Anodyne Nc1cccc(O)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587250905 EG Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587250906 EG Annotated Bother COC(=O)c1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2c1OC ZINC000587250908 EG Annotated Anodyne Cc1ccc(CCc2nc3cncc(Br)c3[nH]2)cc1N ZINC000587250939 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2c1 ZINC000587251010 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587251159 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587251242 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587251254 EG Annotated Anodyne Nc1cc(-c2nc3nc(Br)c[nH]c-3n2)c2ccccc2c1 ZINC000587251288 EG Annotated Anodyne Nc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587251333 EG Annotated Bother Nc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587251334 EG Annotated Bother Nc1ccc(C(=O)CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587251369 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587251395 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000587251409 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587251612 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587251817 EG Annotated Bother Nc1cc(-c2nc3c(S)nc(S)nc3[nH]2)c2ccccc2c1 ZINC000587251838 EG Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1 ZINC000587251883 EG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4cc(N)ccc4o3)nc2cc1OC ZINC000587251926 EG Annotated Anodyne CCOC(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 ZINC000587252092 EG Annotated Anodyne Nc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c2ccccc2c1 ZINC000587252271 EG Annotated Anodyne COc1cncc(N)c1-c1nc2c(C)c(Br)ccc2[nH]1 ZINC000587252321 EG Annotated Anodyne Nc1ccc2oc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2c1 ZINC000587252328 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587252331 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587252359 EG Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587252397 EG Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4ccc(N)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587252489 EG Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4ccc(N)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587252490 EG Annotated Anodyne Nc1ccc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587252578 EG Annotated Anodyne Nc1ccc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587252579 EG Annotated Anodyne Nc1ccc2oc(-c3nc4nc(Br)c[nH]c-4n3)cc2c1 ZINC000587252583 EG Annotated Anodyne COc1cncc(N)c1-c1nc2c(Br)cc(C)cc2[nH]1 ZINC000587252600 EG Annotated Anodyne COc1cncc(N)c1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000587252636 EG Annotated Anodyne COc1cncc(N)c1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000587252654 EG Annotated Anodyne COc1cncc(N)c1-c1nc2cc(Br)c(C)cc2[nH]1 ZINC000587252675 EG Annotated Anodyne CCCOc1cc2[nH]c(-c3ncc(N)cn3)nc2cc1Br ZINC000587252682 EG Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ncc(N)cn3)nc2cc1Br ZINC000587252683 EG Annotated Anodyne COc1cncc(N)c1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 ZINC000587252704 EG Annotated Anodyne COc1cncc(N)c1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 ZINC000587252789 EG Annotated Mild COc1cncc(N)c1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000587252794 EG Annotated Anodyne Nc1ccc2oc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2c1 ZINC000587252830 EG Annotated Bother COC(=O)c1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1OC ZINC000587252886 EG Annotated Anodyne COc1cncc(N)c1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000587252973 EG Annotated Anodyne COc1cncc(N)c1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000587252984 EG Annotated Anodyne COc1cncc(N)c1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000587253008 EG Annotated Anodyne COc1cncc(N)c1-c1nc2c(C)cc(Br)cc2[nH]1 ZINC000587253044 EG Annotated Anodyne Nc1cnc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)nc1 ZINC000587253051 EG Annotated Anodyne N=c1nc(O)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c[nH]1 ZINC000587253185 EG Annotated Anodyne Nc1ncccc1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587253233 EG Annotated Anodyne N=c1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c2ccccc2[nH]1 ZINC000587253250 EG Annotated Anodyne N=c1cc(-c2nc3cc(Br)cnc3[nH]2)c2ccccc2[nH]1 ZINC000587253262 EG Annotated Anodyne Nc1ncccc1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587253279 EG Annotated Anodyne N=c1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c[nH]1 ZINC000587253299 EG Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c[nH]1 ZINC000587253462 EG Annotated Bother COc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1F ZINC000587253548 EG Annotated Anodyne N=c1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c[nH]1 ZINC000587253556 EG Annotated Clean CCOC(=O)Cc1ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2c1 ZINC000587253563 EG Annotated Anodyne COc1cncc(N)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587253616 EG Annotated Bother COc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1OC ZINC000587253789 EG Annotated Anodyne N=c1cc(-c2nc3c(Br)ccnc3[nH]2)c2ccccc2[nH]1 ZINC000587253854 EG Annotated Anodyne N=c1ccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c[nH]1 ZINC000587253900 EG Annotated Anodyne Nc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc2ccccc12 ZINC000587253907 EG Annotated Anodyne COc1cncc(N)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587253947 EG Annotated Bother N=c1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c[nH]1 ZINC000587254002 EG Annotated Anodyne Nc1c(-c2nc3nc(Br)c[nH]c-3n2)ccc2ccccc12 ZINC000587254088 EG Annotated Anodyne COc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1C ZINC000587254109 EG Annotated Anodyne Nc1cncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587254117 EG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc2c1 ZINC000587254148 EG Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 ZINC000587254150 EG Annotated Mild Cc1c(Br)cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2c1C ZINC000587254227 EG Annotated Anodyne Nc1c(-c2nc3c(S)nc(S)nc3[nH]2)ccc2ccccc12 ZINC000587254228 EG Annotated Anodyne Nc1cncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587254336 EG Annotated Anodyne Nc1ncccc1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587254418 EG Annotated Bother Nc1ncccc1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587254444 EG Annotated Anodyne N=c1cc(-c2nc3ccnc(Br)c3[nH]2)c2ccccc2[nH]1 ZINC000587254460 EG Annotated Anodyne N=c1ccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c[nH]1 ZINC000587254519 EG Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c[nH]1 ZINC000587254530 EG Annotated Anodyne Nc1ncccc1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587254597 EG Annotated Bother N=c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc2[nH]1 ZINC000587254674 EG Annotated Anodyne N=c1cc(-c2nc3cc(Br)ncc3[nH]2)c2ccccc2[nH]1 ZINC000587254716 EG Annotated Anodyne N=c1cc(-c2nc3ccc(Br)nc3[nH]2)c2ccccc2[nH]1 ZINC000587254781 EG Annotated Anodyne Cc1cc2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc2cc1[N+](=O)[O-] ZINC000587254808 EG Annotated Bother Cc1cnc(Cl)c2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc12 ZINC000587254865 EG Annotated Anodyne N=c1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c[nH]1 ZINC000587255003 EG Annotated Anodyne CCCOc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br ZINC000587255022 EG Annotated Anodyne N=c1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c[nH]1 ZINC000587255031 EG Annotated Bother CC1(C)OC(=O)C(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)=C1N ZINC000587255139 EG Annotated Anodyne N=c1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c[nH]1 ZINC000587255149 EG Annotated Bother N[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1COC1 ZINC000587255343 EG Annotated Anodyne CC1(C)OC(=O)C(c2nc3ccc(SC(F)(F)F)cc3[nH]2)=C1N ZINC000587255395 EG Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)=C1N ZINC000587255647 EG Annotated Anodyne N[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)C1CC1 ZINC000587255671 EG Annotated Anodyne N[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)C1CC1 ZINC000587255688 EG Annotated Anodyne CC1(C)OC(=O)C(c2nc3cccc(OCc4ccccc4)c3[nH]2)=C1N ZINC000587255819 EG Annotated Anodyne CC(C)Oc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br ZINC000587255852 EG Annotated Anodyne NC1CCC(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 ZINC000587256128 EG Annotated Anodyne NC1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587256130 EG Annotated Bother NC1CCC(c2nc3cccc(I)c3[nH]2)CC1 ZINC000587256281 EG Annotated Anodyne Cc1ccc2c(ccc3nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c32)n1 ZINC000587256285 EG Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587256298 EG Annotated Anodyne NC1CCC(c2nc3ccc(I)cc3[nH]2)CC1 ZINC000587256306 EG Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587256330 EG Annotated Anodyne NC1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000587256341 EG Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587256363 EG Annotated Anodyne NC1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 ZINC000587256413 EG Annotated Bother NC1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000587256427 EG Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587256500 EG Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587256592 EG Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587256710 EG Annotated Anodyne N[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1COC1 ZINC000587256838 EG Annotated Anodyne NC1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000587256878 EG Annotated Clean CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587256912 EG Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587256958 EG Annotated Anodyne C=CC[C@@](C)(N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587257456 EG Annotated Mild CC(C)(C)[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587257489 EG Annotated Bother CC(C)(C)[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587257495 EG Annotated Bother CC(C)(C)[C@H](N)c1nc2cccc(I)c2[nH]1 ZINC000587257892 EG Annotated Anodyne CC(C)(C)[C@H](N)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587257961 EG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)C(C)(C)C)nc2c1 ZINC000587257996 EG Annotated Anodyne CC(C)(C)[C@H](N)c1nc2ccc(I)cc2[nH]1 ZINC000587258036 EG Annotated Anodyne COC(=O)c1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cn1 ZINC000587258283 EG Annotated Anodyne N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)c1cccc2ccccc12 ZINC000587258300 EG Annotated Anodyne N[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1cccc2ccccc12 ZINC000587258307 EG Annotated Bother COC(=O)CC[C@H](N)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587258395 EG Annotated Anodyne CC(C)(C)[C@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587258469 EG Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)C(C)C)nc2c1 ZINC000587258519 EG Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587258568 EG Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2n1 ZINC000587258743 EG Annotated Anodyne N[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12 ZINC000587259082 EG Annotated Bother COC(=O)CC[C@H](N)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587259143 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](N)c3cccc4ccccc34)nc12 ZINC000587259266 EG Annotated Anodyne CC(C)[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587259516 EG Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000587259677 EG Annotated Anodyne COc1cc(-c2nc3cccc(OC)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260810 EG Annotated Bother COc1cc(-c2nc3ccc(F)c(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260841 EG Annotated Bother COC(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1OC ZINC000587260846 EG Annotated Bother Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587260850 EG Annotated Bother COc1cc(-c2nc3cc(Cl)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260884 EG Annotated Bother COc1cc(-c2nc3cncc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260924 EG Annotated Bother COc1cc(-c2nc3cc(OC)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260939 EG Annotated Bother COc1cc(-c2nc3c(C)nc(C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261010 EG Annotated Bother COc1cc(-c2nc3ccc(C(C)=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261016 EG Annotated Bother COc1cc(-c2nc3ccc(Cl)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261025 EG Annotated Bother COc1cc(-c2nc3cc(Cl)ncc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261032 EG Annotated Bother COc1cc(-c2nc3cc(F)cc(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261064 EG Annotated Bother COc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261081 EG Annotated Bother Cc1c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261095 EG Annotated Bother COc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261119 EG Annotated Bother COc1cc(-c2nc3cc(F)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261149 EG Annotated Bother COc1cc(-c2nc3c(Cl)ccnc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261150 EG Annotated Bother COc1cc(-c2nc3cc(OC)c(C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261206 EG Annotated Bother COc1cc(-c2nc3ccnc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261215 EG Annotated Bother Cc1cc(C#Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261395 EG Annotated Mild COCCNc1ccc(-c2nc3cncc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261401 EG Annotated Bother Cc1c(F)ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587261423 EG Annotated Mild COCCNc1ccc(-c2nc3ccnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261500 EG Annotated Bother COCCNc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261526 EG Annotated Bother CC(C)Oc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261552 EG Annotated Bother CC(C)Oc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261557 EG Annotated Bother CC(C)Oc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261558 EG Annotated Bother CC(C)Oc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261559 EG Annotated Bother C=CCc1cccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587261669 EG Annotated Mild Cc1cc(C)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 ZINC000587261768 EG Annotated Mild Cc1cc(F)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 ZINC000587261772 EG Annotated Mild COCCNc1ccc(-c2nc3cccc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261802 EG Annotated Bother Cc1cc(C#Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261808 EG Annotated Mild Cc1cc(C#Cc2nc3cc(Cl)nc(C#N)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261822 EG Annotated Mild COCCNc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262006 EG Annotated Bother CCc1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587262050 EG Annotated Mild COCCNc1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587262057 EG Annotated Bother COc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1F ZINC000587262068 EG Annotated Mild Cc1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1C ZINC000587262093 EG Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(C(=O)O)c3[nH]2)c1 ZINC000587262125 EG Annotated Bother COc1cc(OC)c2[nH]c(C#Cc3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000587262152 EG Annotated Mild Cc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Cl ZINC000587262216 EG Annotated Bother Cc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Cl ZINC000587262217 EG Annotated Bother Cc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Cl ZINC000587262218 EG Annotated Bother Cc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Cl ZINC000587262219 EG Annotated Bother COCCNc1ccc(-c2nc3c(Cl)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000587262278 EG Annotated Bother O=CC(C=O)c1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262312 EG Annotated Mild Cc1cc(C#Cc2nc3c(F)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262344 EG Annotated Mild COc1cccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c12 ZINC000587262376 EG Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587262429 EG Annotated Bother COc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1OC ZINC000587262453 EG Annotated Mild COc1cc(OCc2nc3cccc(OC)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262514 EG Annotated Bother Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1C ZINC000587262562 EG Annotated Mild Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587262581 EG Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262696 EG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262706 EG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262707 EG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262708 EG Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=O)O)cc3[nH]2)c1 ZINC000587262755 EG Annotated Bother Cc1cc(C#Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1[N+](=O)[O-] ZINC000587262775 EG Annotated Mild Cc1cc(C#Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262804 EG Annotated Mild Cc1cc(C#Cc2nc3cc4c(cc3[nH]2)OCCCO4)ccc1[N+](=O)[O-] ZINC000587262814 EG Annotated Mild Cc1cc(C#Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262870 EG Annotated Mild COc1cc(OCc2nc3cc(F)cc(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262889 EG Annotated Bother COc1cc(OCc2nc3ccc(F)c(F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262907 EG Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000587262909 EG Annotated Bother COc1cc(OCc2nc3ccnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262949 EG Annotated Bother COc1cc(OCc2nc3ccc(C(C)=O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262990 EG Annotated Bother Cc1cc(Cl)cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 ZINC000587262994 EG Annotated Bother Cc1cc(Cl)cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 ZINC000587262995 EG Annotated Bother Cc1cc(Cl)cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 ZINC000587262996 EG Annotated Bother Cc1cc(Cl)cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 ZINC000587262997 EG Annotated Bother COc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1F ZINC000587263073 EG Annotated Bother COc1cc(OCc2nc3cc(Cl)ncc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263090 EG Annotated Bother COc1cc(OCc2nc3cncc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263125 EG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263226 EG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263227 EG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263228 EG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263229 EG Annotated Bother COc1cc(OCc2nc3c(Cl)ccnc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263258 EG Annotated Bother COc1cc(OCc2nc3cc(F)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263287 EG Annotated Bother COc1cc(OCc2nc3ccc(Cl)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263393 EG Annotated Bother COc1cc(OCc2nc3c(C)nc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263465 EG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3c(Cl)ccnc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263487 EG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(F)c(F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263515 EG Annotated Bother CC(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587263534 EG Annotated Bother COc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1C ZINC000587263654 EG Annotated Bother COc1cc(OCc2nc3c(C)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263711 EG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)ncc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263759 EG Annotated Bother Cc1cc(C)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000587263793 EG Annotated Bother COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F ZINC000587263824 EG Annotated Bother CSc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587263847 EG Annotated Bother Cc1cnc(Cl)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 ZINC000587263923 EG Annotated Bother Cc1c(Cl)ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 ZINC000587263933 EG Annotated Bother Cc1c(Cl)ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 ZINC000587263935 EG Annotated Bother Cc1c(Cl)ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 ZINC000587263937 EG Annotated Bother Cc1c(Cl)ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 ZINC000587263938 EG Annotated Bother Cc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F ZINC000587263945 EG Annotated Bother Cc1c(F)ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263947 EG Annotated Bother Cc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1 ZINC000587264079 EG Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cnc2[nH]1 ZINC000587264151 EG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(Cl)c2[nH]1 ZINC000587264186 EG Annotated Bother COCCOc1ccc(-c2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264215 EG Annotated Bother COCCNc1ccc(-c2nc3c(C)nc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587264222 EG Annotated Bother COCCOc1ccc(-c2nc3cccc(OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264245 EG Annotated Bother COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C ZINC000587264374 EG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cncc(Cl)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264614 EG Annotated Bother Cc1cnc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000587264615 EG Annotated Bother Cc1cc(Cl)cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587264805 EG Annotated Bother COCCNc1ccc(-c2nc3cccc(C#N)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264810 EG Annotated Mild Cc1nccc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 ZINC000587264943 EG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(F)cc(F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264974 EG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(Cl)nc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265005 EG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(F)c(F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587265037 EG Annotated Bother COCCOc1ccc(-c2nc3c(C)nc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587265192 EG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4ccccc4cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265231 EG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4ccccc4cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265232 EG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4ccccc4cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265233 EG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4ccccc4cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265234 EG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)[C@@H]1C[N+](=O)[O-] ZINC000587265236 EG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)[C@H]1C[N+](=O)[O-] ZINC000587265241 EG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)[C@@H]1C[N+](=O)[O-] ZINC000587265242 EG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)[C@H]1C[N+](=O)[O-] ZINC000587265243 EG Annotated Bother COCCOc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265285 EG Annotated Bother Cc1ccc(C)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc12 ZINC000587265311 EG Annotated Bother Cc1c(Cl)ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587265326 EG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000587265363 EG Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 ZINC000587265585 EG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)cnc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265764 EG Annotated Bother Cc1cc(F)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000587265848 EG Annotated Bother Cc1ccnc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 ZINC000587265876 EG Annotated Bother COCCOc1ccc(-c2nc3cccc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265886 EG Annotated Bother C=CCc1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587265889 EG Annotated Mild O=[N+]([O-])c1ccc(Cc2nc3ccnc(Cl)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587265993 EG Annotated Bother Cc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1C ZINC000587265998 EG Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 ZINC000587266127 EG Annotated Bother Cc1cncc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587266211 EG Annotated Bother Cc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Cl ZINC000587266414 EG Annotated Bother Cc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1C ZINC000587266476 EG Annotated Bother COCCNc1ccc(-c2nc3cccc(OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266489 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587267050 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587267051 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587267095 EG Annotated Mild Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587267097 EG Annotated Mild Cc1nn(Cc2ccccc2-c2nc3cccnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267122 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587267202 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587267205 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587267376 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587267378 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587267516 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587267517 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587267551 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587267552 EG Annotated Bother Cc1c(Br)ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12 ZINC000587267638 EG Annotated Bother Cc1cc(Br)c2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2c1 ZINC000587267677 EG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587267687 EG Annotated Bother Cc1ccc2c(ccc3nc([C@@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c32)n1 ZINC000587267736 EG Annotated Bother Cc1ccc2c(ccc3nc([C@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c32)n1 ZINC000587267739 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587267774 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587267775 EG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc3ncccc3c2[nH]1 ZINC000587267880 EG Annotated Bother Nc1ncc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587267901 EG Annotated Bother Nc1ncc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587267917 EG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cnc3ccccc3c2[nH]1 ZINC000587267970 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587267976 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587267977 EG Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cnccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267997 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587268005 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587268006 EG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587268099 EG Annotated Mild Nc1ncc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268113 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587268117 EG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587268119 EG Annotated Bother COc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Cl ZINC000587268134 EG Annotated Bother COc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Cl ZINC000587268137 EG Annotated Bother Nc1ncc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268174 EG Annotated Bother N#Cc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1C(F)(F)F ZINC000587268188 EG Annotated Mild Nc1ncc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268308 EG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587268347 EG Annotated Bother CC(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 ZINC000587268352 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cccc(Br)c2[nH]1 ZINC000587268360 EG Annotated Bother Cc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587268361 EG Annotated Bother Cc1cc(Br)cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12 ZINC000587268371 EG Annotated Bother Cc1cnc(Cl)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc12 ZINC000587268385 EG Annotated Bother COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1C ZINC000587268411 EG Annotated Bother Cc1cc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2cc1[N+](=O)[O-] ZINC000587268443 EG Annotated Bother O=[N+]([O-])c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Cl ZINC000587268525 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587268534 EG Annotated Bother Cc1ccc2c(ccc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c32)n1 ZINC000587268546 EG Annotated Bother COc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Cl ZINC000587268554 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587268583 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587268612 EG Annotated Bother Cc1cc(C)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c1 ZINC000587268650 EG Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587268683 EG Annotated Bother CC(C)(C)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2n1 ZINC000587268729 EG Annotated Bother COc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1C ZINC000587268759 EG Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587268762 EG Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587268782 EG Annotated Bother CC(C)Oc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587268876 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587268887 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587268928 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587268940 EG Annotated Bother Cc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1F ZINC000587268942 EG Annotated Bother Cc1oc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268969 EG Annotated Bother Cc1ccc(C)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc12 ZINC000587268970 EG Annotated Bother CC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587269000 EG Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000587269002 EG Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(CO)cc3[nH]2)c1 ZINC000587269060 EG Annotated Bother Cc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1C ZINC000587269076 EG Annotated Bother Cc1oc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587269100 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587269142 EG Annotated Bother CCc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587269163 EG Annotated Bother COC(=O)c1cc(Cl)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1 ZINC000587269166 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587269207 EG Annotated Bother N#Cc1cc(Cl)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2c1 ZINC000587269246 EG Annotated Mild C=CCc1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587269273 EG Annotated Mild O=[N+]([O-])c1cccc(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000587269325 EG Annotated Bother COc1cc(OC)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000587269341 EG Annotated Bother CSc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587269346 EG Annotated Bother COc1cncc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 ZINC000587269390 EG Annotated Bother Cc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1C ZINC000587269422 EG Annotated Bother Cc1cnc(Cl)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc12 ZINC000587269427 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c(Br)ccnc3[nH]2)c1 ZINC000587269432 EG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(Br)cc2[nH]1 ZINC000587269683 EG Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc3ncccc3c2[nH]1 ZINC000587269807 EG Annotated Bother Cc1cc(C)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 ZINC000587269817 EG Annotated Bother COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cn1 ZINC000587269855 EG Annotated Bother COc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1 ZINC000587269890 EG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587269901 EG Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587269904 EG Annotated Bother O=C(O)c1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587269945 EG Annotated Bother COc1nccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 ZINC000587269966 EG Annotated Bother N#Cc1nc(Cl)cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 ZINC000587269977 EG Annotated Mild O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587270013 EG Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587270044 EG Annotated Mild Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587270060 EG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(Cl)c4[nH]3)nn2)c1 ZINC000587270192 EG Annotated Bother N=c1[nH]ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 ZINC000587270206 EG Annotated Bother Nc1ccnc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12 ZINC000587270221 EG Annotated Bother N=c1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c[nH]1 ZINC000587270240 EG Annotated Bother Cc1c(F)ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587270295 EG Annotated Bother Cc1cc(F)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 ZINC000587270308 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(Br)ncc3[nH]2)c1 ZINC000587270319 EG Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cnc3ccccc3c2[nH]1 ZINC000587270351 EG Annotated Bother CCc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587270373 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587270424 EG Annotated Bother Cc1ccc(C)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc12 ZINC000587270441 EG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587270506 EG Annotated Bother COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1C ZINC000587270518 EG Annotated Bother CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587270571 EG Annotated Bother Cc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1C ZINC000587270602 EG Annotated Bother Cc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1C ZINC000587270631 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cncc(Br)c3[nH]2)c1 ZINC000587270646 EG Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccnc(O)c4[nH]3)c2)c1 ZINC000587270684 EG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Cl)cc4[nH]3)nn2)c1 ZINC000587270714 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cnc3[nH]2)c1 ZINC000587270734 EG Annotated Bother O=C(O)c1cc(F)cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 ZINC000587270739 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000587270760 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccnc(Br)c3[nH]2)c1 ZINC000587270767 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)nc3[nH]2)c1 ZINC000587270778 EG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587270822 EG Annotated Bother O=C1CCc2cc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3cc2N1 ZINC000587270883 EG Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587270930 EG Annotated Bother COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Cl ZINC000587270991 EG Annotated Bother N=c1[nH]cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc-2[nH]1 ZINC000587272390 EG Annotated Bother CC(C)OCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272771 EG Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)c(Cl)nc3[nH]2)n1 ZINC000587272794 EG Annotated Bother O=C(c1ccccc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587272945 EG Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000587272948 EG Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587272979 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587272986 EG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587272988 EG Annotated Bother Nc1ncnc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc12 ZINC000587273049 EG Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3c(Cl)cnc(Cl)c3[nH]2)n1 ZINC000587273099 EG Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cccc(C(F)(F)F)c3[nH]2)n1 ZINC000587273138 EG Annotated Bother Cc1ccc2c(ccc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c32)n1 ZINC000587273597 EG Annotated Bother Cc1ccc2c(ccc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c32)n1 ZINC000587273604 EG Annotated Bother CC(C)Oc1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587273654 EG Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)n1 ZINC000587273663 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587273670 EG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587273673 EG Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587273749 EG Annotated Bother Cc1ccc2c(ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c32)n1 ZINC000587273935 EG Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587274049 EG Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587274237 EG Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587274254 EG Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc4c(c3[nH]2)CCCC4)n1 ZINC000587274408 EG Annotated Bother C#CCC(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274419 EG Annotated Mild Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587274585 EG Annotated Bother CC(C)(C)OCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274661 EG Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3c(Cl)c(Cl)cnc3[nH]2)n1 ZINC000587274669 EG Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)nc(Cl)c3[nH]2)n1 ZINC000587274678 EG Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587274749 EG Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587274769 EG Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587274785 EG Annotated Bother CC(C)Oc1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587274796 EG Annotated Bother CC(C)Oc1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587274797 EG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587274865 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587274866 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587274880 EG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587274881 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587274889 EG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587274894 EG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587275007 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587275009 EG Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587275057 EG Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587275130 EG Annotated Bother Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)o1 ZINC000587275491 EG Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275562 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275565 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275569 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275573 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@H]1CC=C[C@H]21 ZINC000587275595 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@@H]1CC=C[C@@H]21 ZINC000587275598 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@H]1CC=C[C@@H]21 ZINC000587275600 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@@H]1CC=C[C@H]21 ZINC000587275604 EG Annotated Clean O=C(c1cccs1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275633 EG Annotated Anodyne C[C@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275669 EG Annotated Bother C[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275670 EG Annotated Bother C[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275682 EG Annotated Bother C[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275683 EG Annotated Bother Cc1cncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587275763 EG Annotated Anodyne Cc1occc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275824 EG Annotated Anodyne C[C@H](c1nc2ccc(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276132 EG Annotated Bother C[C@@H](c1nc2ccc(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276133 EG Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)C(Cl)Cl ZINC000587276258 EG Annotated Reactive Cc1ccoc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276335 EG Annotated Anodyne CSCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276452 EG Annotated Anodyne O=C(c1ccsc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276498 EG Annotated Anodyne O=C(CC(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276583 EG Annotated Anodyne C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587276812 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587276814 EG Annotated Bother C[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276837 EG Annotated Bother C[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276839 EG Annotated Bother O=C(CCCCl)c1c(CO)oc2cc(Br)cnc12 ZINC000587277063 EG Annotated Reactive C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587277220 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587277221 EG Annotated Bother C[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277236 EG Annotated Bother C[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277237 EG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587277376 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587277377 EG Annotated Bother COc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl ZINC000587277458 EG Annotated Bother COc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl ZINC000587277459 EG Annotated Bother C[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277478 EG Annotated Bother C[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277479 EG Annotated Bother C[C@H](c1nc2cccc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277480 EG Annotated Bother C[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277481 EG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587277498 EG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587277499 EG Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277534 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277535 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277536 EG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277537 EG Annotated Clean C[C@H](c1nc2cccc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277635 EG Annotated Bother C[C@@H](c1nc2cccc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277636 EG Annotated Bother C[C@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277658 EG Annotated Bother C[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277659 EG Annotated Bother Cc1nn(-c2ccccc2)nc1C(=O)c1coc2cc(C#N)ccc12 ZINC000587277692 EG Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(S(=O)(=O)F)cc3)coc2c1 ZINC000587277715 EG Annotated Unstable N#Cc1ccc2c(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)coc2c1 ZINC000587277742 EG Annotated Mild CCOC(=O)c1cnn(C)c1C(=O)c1coc2ccc(Cl)cc12 ZINC000587277780 EG Annotated Anodyne Cc1c(C(=O)c2coc3cc(C#N)ccc23)nnn1Cc1ccccc1 ZINC000587278279 EG Annotated Mild N#Cc1ccc2c(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)coc2c1 ZINC000587278496 EG Annotated Mild N#Cc1ccc2c(C(=O)CCS(=O)(=O)c3ccccc3)coc2c1 ZINC000587278564 EG Annotated Mild N#Cc1ccc2c(C(=O)c3cccc(S(=O)(=O)Cl)c3)coc2c1 ZINC000587278941 EG Annotated Unstable CCOC(=O)c1cn(C)nc1C(=O)c1coc2ccc(Cl)cc12 ZINC000587279147 EG Annotated Anodyne N#Cc1ccc2c(C(=O)C3(Br)CCOCC3)coc2c1 ZINC000587279194 EG Annotated Mild Cc1cc([N+](=O)[O-])nn1CCCC(=O)c1coc2cc(C#N)ccc12 ZINC000587279280 EG Annotated Mild CC(=O)Oc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 ZINC000587279329 EG Annotated Bother O=C(Cc1ccc2c(c1)OCO2)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279380 EG Annotated Bother O=C(c1n[nH]cc1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279398 EG Annotated Bother C[C@H](C(=O)c1coc2cc(C#N)ccc12)N1C(=O)c2ccccc2C1=O ZINC000587279504 EG Annotated Mild C[C@@H](C(=O)c1coc2cc(C#N)ccc12)N1C(=O)c2ccccc2C1=O ZINC000587279505 EG Annotated Mild Cn1cc(Br)c(C(=O)c2coc3cc(C#N)ccc23)n1 ZINC000587279616 EG Annotated Mild N#Cc1ccc2c(C(=O)CCN3C(=O)c4ccccc4C3=O)coc2c1 ZINC000587279641 EG Annotated Mild CC(=O)Oc1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279678 EG Annotated Bother CC(=O)Oc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 ZINC000587279688 EG Annotated Bother Cc1nn(-c2ccccc2)nc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279983 EG Annotated Bother Cn1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C(F)(F)F)n1 ZINC000587280012 EG Annotated Bother O=C(c1ccc(S(=O)(=O)F)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280074 EG Annotated Unstable Cn1nc(C(F)(F)F)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280112 EG Annotated Bother Cn1ncc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1C(F)(F)F ZINC000587280121 EG Annotated Bother O=C(c1cc(C(F)(F)F)n[nH]1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280139 EG Annotated Bother O=C(c1nn2cccnc2c1Cl)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280149 EG Annotated Bother O=CO[C@@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)c1ccccc1 ZINC000587280276 EG Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1COc2ccccc2O1 ZINC000587280350 EG Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H]1COc2ccccc2O1 ZINC000587280351 EG Annotated Bother O=C(c1cc2ncc(Br)cn2n1)c1coc2ccccc12 ZINC000587280433 EG Annotated Anodyne O=C(Cl)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 ZINC000587280558 EG Annotated Reactive O=C(c1nn2cccnc2c1Br)c1coc2ccccc12 ZINC000587280744 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587335736 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587335742 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587335750 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587335757 EG Annotated Anodyne CN(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339423 EG Annotated Anodyne CN(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339427 EG Annotated Anodyne CN(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339430 EG Annotated Anodyne CN(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339432 EG Annotated Anodyne C[C@@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341877 EG Annotated Mild C[C@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341879 EG Annotated Mild C[C@@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341880 EG Annotated Mild C[C@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341881 EG Annotated Mild CN1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342688 EG Annotated Anodyne CN1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342689 EG Annotated Anodyne CN1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342691 EG Annotated Anodyne CN1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342693 EG Annotated Anodyne C[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343077 EG Annotated Anodyne C[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343078 EG Annotated Anodyne C[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343079 EG Annotated Anodyne C[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343081 EG Annotated Anodyne C[C@@H]1CN(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343298 EG Annotated Anodyne C[C@@H]1CN(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343300 EG Annotated Anodyne C[C@@H]1CN(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343302 EG Annotated Anodyne C[C@@H]1CN(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343303 EG Annotated Anodyne CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343368 EG Annotated Anodyne CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343370 EG Annotated Anodyne C[C@]1([C@@H]2CCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343654 EG Annotated Anodyne C[C@]1([C@@H]2CCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343658 EG Annotated Anodyne C[C@]1([C@H]2CCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343661 EG Annotated Anodyne C[C@]1([C@H]2CCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343663 EG Annotated Anodyne CCOC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344904 EG Annotated Anodyne CCOC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344907 EG Annotated Anodyne CCOC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344910 EG Annotated Anodyne CCOC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344912 EG Annotated Anodyne CC(=O)OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345830 EG Annotated Anodyne CC(=O)OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345832 EG Annotated Anodyne CC(=O)OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345833 EG Annotated Anodyne CC(=O)OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345835 EG Annotated Anodyne C[C@@H]1C[C@]2(CN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347219 EG Annotated Anodyne C[C@@H]1C[C@@]2(CN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347222 EG Annotated Anodyne C[C@@H]1C[C@@]2(CN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347224 EG Annotated Anodyne C[C@@H]1C[C@]2(CN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347226 EG Annotated Anodyne C[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348231 EG Annotated Anodyne C[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348234 EG Annotated Anodyne C[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348237 EG Annotated Anodyne C[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348240 EG Annotated Anodyne C[C@@]1(CCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349440 EG Annotated Anodyne C[C@]1(CCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349442 EG Annotated Anodyne C[C@@]1(CCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349447 EG Annotated Anodyne C[C@]1(CCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349453 EG Annotated Anodyne CO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350101 EG Annotated Anodyne CO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350108 EG Annotated Anodyne CO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350113 EG Annotated Anodyne CO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350118 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCNC2)[C@H]1c1ccc(F)cc1 ZINC000587350202 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCNC2)[C@@H]1c1ccc(F)cc1 ZINC000587350212 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCNC2)[C@@H]1c1ccc(F)cc1 ZINC000587350218 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCNC2)[C@H]1c1ccc(F)cc1 ZINC000587350225 EG Annotated Anodyne C[C@]1([C@@H]2CCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350895 EG Annotated Anodyne C[C@]1([C@H]2CCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350904 EG Annotated Anodyne C[C@]1([C@@H]2CCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350911 EG Annotated Anodyne C[C@]1([C@H]2CCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350914 EG Annotated Anodyne COC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350942 EG Annotated Anodyne COC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350945 EG Annotated Anodyne COC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350950 EG Annotated Anodyne COC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350952 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587351155 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587351164 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587351166 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587351168 EG Annotated Anodyne CC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351386 EG Annotated Anodyne CC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351389 EG Annotated Anodyne CC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351393 EG Annotated Anodyne CC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351396 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587351493 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587351497 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587351500 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587351505 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587352858 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587352859 EG Annotated Anodyne CC(C)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353074 EG Annotated Anodyne CC(C)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353082 EG Annotated Anodyne CC(C)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353083 EG Annotated Anodyne CC(C)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353084 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587353086 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587353091 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587353093 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587353094 EG Annotated Anodyne CC[C@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353095 EG Annotated Anodyne CC[C@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353097 EG Annotated Anodyne CC[C@@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353099 EG Annotated Anodyne CC[C@@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353102 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587353254 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587353257 EG Annotated Anodyne COC(OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353430 EG Annotated Anodyne COC(OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353431 EG Annotated Anodyne COC(OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353432 EG Annotated Anodyne COC(OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353433 EG Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000587355946 EG Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000587355947 EG Annotated Anodyne O=C(O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356050 EG Annotated Anodyne O=C(O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356051 EG Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(COC3)C2)[C@H]1c1ccc(F)cc1 ZINC000587356072 EG Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(COC3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587356074 EG Annotated Anodyne C[C@@H]1OCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357403 EG Annotated Anodyne C[C@@H]1OCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357404 EG Annotated Anodyne C[C@@H]1OCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357406 EG Annotated Anodyne C[C@@H]1OCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357407 EG Annotated Anodyne COC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357495 EG Annotated Anodyne COC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357496 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOC2)[C@H]1c1ccc(F)cc1 ZINC000587357758 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOC2)[C@@H]1c1ccc(F)cc1 ZINC000587357761 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOC2)[C@@H]1c1ccc(F)cc1 ZINC000587357763 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOC2)[C@H]1c1ccc(F)cc1 ZINC000587357766 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC=COC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587357967 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC=COC2=O)[C@H]1c1ccc(F)cc1 ZINC000587357969 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC=COC2=O)[C@H]1c1ccc(F)cc1 ZINC000587357970 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC=COC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587357973 EG Annotated Anodyne CC(C)(O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358067 EG Annotated Anodyne CC(C)(O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358069 EG Annotated Anodyne CC(C)(O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358074 EG Annotated Anodyne CC(C)(O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358077 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587359299 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587359303 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587359306 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587359307 EG Annotated Anodyne CC(C)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359330 EG Annotated Anodyne CC(C)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359338 EG Annotated Anodyne CC(C)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359346 EG Annotated Anodyne CC(C)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359349 EG Annotated Anodyne CC1(CO)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359443 EG Annotated Anodyne CC1(CO)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359445 EG Annotated Anodyne C[C@H](O)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359790 EG Annotated Anodyne C[C@H](O)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359791 EG Annotated Anodyne C[C@H](O)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359792 EG Annotated Anodyne C[C@H](O)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359793 EG Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(CO)C2)[C@@H]1c1ccc(F)cc1 ZINC000587359809 EG Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(CO)C2)[C@H]1c1ccc(F)cc1 ZINC000587359810 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CCO[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587361519 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CCO[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587361521 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCO[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587361523 EG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCO[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587361525 EG Annotated Anodyne Cc1ccc(Br)c2c1-c1nc3nc(O)nc(O)c3cc1C2 ZINC000587365204 EG Annotated Anodyne Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1Br ZINC000587365301 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(CCBr)cc3)nc2n1 ZINC000587365590 EG Annotated Reactive Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1Br ZINC000587365657 EG Annotated Anodyne CCCCCc1cc2c(O)nc(O)nc2nc1CBr ZINC000587365681 EG Annotated Reactive Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Br ZINC000587365700 EG Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1cccc(Br)c1 ZINC000587365745 EG Annotated Anodyne Cc1cc(-c2nc3nc(O)nc(O)c3cc2C)ccc1Br ZINC000587365979 EG Annotated Anodyne Cc1cc(Br)ccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587366195 EG Annotated Anodyne C[C@H]1c2cc3c(O)nc(O)nc3nc2-c2cccc(Br)c21 ZINC000587366474 EG Annotated Anodyne C[C@@H]1c2cc3c(O)nc(O)nc3nc2-c2cccc(Br)c21 ZINC000587366475 EG Annotated Anodyne Oc1nc(O)c2cc(CC3CCCC3)c(CBr)nc2n1 ZINC000587366671 EG Annotated Reactive Cc1c(Br)cccc1Cc1cnc2nc(O)nc(O)c2c1 ZINC000587366845 EG Annotated Anodyne Cc1ccc(Br)c(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587366903 EG Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1Cc1ccccc1Br ZINC000587366937 EG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(Br)cc1 ZINC000587367529 EG Annotated Anodyne Oc1nc(O)c2ccc(/C=C/c3cccc(Br)c3)nc2n1 ZINC000587367530 EG Annotated Anodyne Cc1cc(Br)cc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587367535 EG Annotated Anodyne Cc1cc(Br)cc2c1-c1nc3nc(O)nc(O)c3cc1C2 ZINC000587367542 EG Annotated Anodyne C=C(Cl)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587367581 EG Annotated Mild Oc1nc(O)c2ccc([C@@H]3C[C@@H]3c3c(F)cccc3Cl)nc2n1 ZINC000587367907 EG Annotated Anodyne Oc1nc(O)c2ccc([C@H]3C[C@H]3c3c(F)cccc3Cl)nc2n1 ZINC000587367908 EG Annotated Anodyne Oc1nc(O)c2ccc([C@H]3C[C@@H]3c3c(F)cccc3Cl)nc2n1 ZINC000587367909 EG Annotated Anodyne Oc1nc(O)c2ccc([C@@H]3C[C@H]3c3c(F)cccc3Cl)nc2n1 ZINC000587367910 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(F)cc3Br)nc2n1 ZINC000587367945 EG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1Cc1cccc(C(F)(F)F)c1 ZINC000587367947 EG Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OCC(F)F)cc1 ZINC000587367969 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ncc(C(F)(F)F)cc3Cl)nc2n1 ZINC000587367972 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3c(F)cccc3Br)nc2n1 ZINC000587367997 EG Annotated Anodyne COc1ccc([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)cc1F ZINC000587368004 EG Annotated Anodyne COc1ccc([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)cc1F ZINC000587368005 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(F)cc(C(F)(F)F)c3)nc2n1 ZINC000587368020 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(C(F)(F)F)ccc3F)nc2n1 ZINC000587368025 EG Annotated Anodyne COc1c(Cl)cc(Cl)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587368052 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(F)c(C(F)(F)F)c3F)nc2n1 ZINC000587368066 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(SCC(F)F)cc3)nc2n1 ZINC000587368111 EG Annotated Anodyne Oc1nc(O)c2cc(CCc3cccc(C(F)(F)F)c3)cnc2n1 ZINC000587368121 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2n1 ZINC000587368140 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(F)c(Br)c3)nc2n1 ZINC000587368148 EG Annotated Anodyne Oc1nc(O)c2ccc(CCc3cccc(C(F)(F)F)c3)nc2n1 ZINC000587368151 EG Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(C(F)(F)F)c1 ZINC000587368153 EG Annotated Anodyne CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CCl ZINC000587368201 EG Annotated Reactive Oc1nc(O)c2cc3c(nc2n1)CC[C@H](c1ccc(Cl)cc1)C3 ZINC000587368269 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@@H](c1ccc(Cl)cc1)C3 ZINC000587368272 EG Annotated Anodyne CN(C)/C=C(/c1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587368292 EG Annotated Anodyne CN(C)/C=C(\c1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587368293 EG Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Cl)c1O ZINC000587368308 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@@H]3c1ccc(C(F)(F)F)cc1 ZINC000587368334 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@H]3c1ccc(C(F)(F)F)cc1 ZINC000587368336 EG Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3)c(C(F)(F)Cl)nc2n1 ZINC000587368349 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(Br)c3F)nc2n1 ZINC000587368350 EG Annotated Anodyne Oc1nc(O)c2cc(Cc3cccc(F)c3C(F)(F)F)cnc2n1 ZINC000587368450 EG Annotated Anodyne Oc1nc(O)c2ccc(CCc3ccc(C(F)(F)F)cc3)nc2n1 ZINC000587368454 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(F)cc3C(F)(F)F)nc2n1 ZINC000587368488 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(N4CCCCC4)c(F)c3)nc2n1 ZINC000587368510 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Br)ccc3F)nc2n1 ZINC000587368521 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(C(F)(F)F)c(F)c3)nc2n1 ZINC000587368593 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@H](c1ccc(C(F)(F)F)cc1)C3 ZINC000587368619 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@@H](c1ccc(C(F)(F)F)cc1)C3 ZINC000587368620 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(F)ccc3Br)nc2n1 ZINC000587368655 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3c(F)cccc3C(F)(F)F)nc2n1 ZINC000587368857 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)nc2n1 ZINC000587368880 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Br)c(F)c3)nc2n1 ZINC000587368946 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(F)cc(Br)c3)nc2n1 ZINC000587368956 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Br)cc3F)nc2n1 ZINC000587368966 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(F)c3Br)nc2n1 ZINC000587368968 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(OC(F)(F)F)c3F)nc2n1 ZINC000587369021 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(-c4ccc(Cl)cc4)no3)nc2n1 ZINC000587369054 EG Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1cc(Cl)cc(Cl)c1O ZINC000587369118 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Cl)cc(CCl)c3O)nc2n1 ZINC000587369119 EG Annotated Reactive Cc1cc(OCCc2cc3c(O)nc(O)nc3nc2C)ccc1Cl ZINC000587369257 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(OCC(F)(F)F)cc3)nc2n1 ZINC000587369301 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1[nH]c2ccc(Cl)cc2c1CC3 ZINC000587369312 EG Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587369863 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccnc1)O2 ZINC000587370395 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccnc1)O2 ZINC000587370398 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Br)cn1)O2 ZINC000587371234 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Br)cn1)O2 ZINC000587371238 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccn1)O2 ZINC000587371255 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccn1)O2 ZINC000587371256 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(Br)c1)O2 ZINC000587371614 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc(Br)c1)O2 ZINC000587371617 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(O)c(O)c1)O2 ZINC000587371971 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(O)c(O)c1)O2 ZINC000587371972 EG Annotated Reactive CCOC(=O)C(Cl)(Cl)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372740 EG Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372756 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(Br)c1N)O2 ZINC000587372821 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(Br)c1N)O2 ZINC000587372824 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)nc1)O2 ZINC000587372861 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)nc1)O2 ZINC000587372863 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)O)oc1C)O2 ZINC000587373147 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)O)oc1C)O2 ZINC000587373154 EG Annotated Reactive COC(=O)c1coc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587373423 EG Annotated Reactive COC(=O)c1coc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587373426 EG Annotated Reactive COC1=C(Br)[C@]2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587373447 EG Annotated Anodyne COC1=C(Br)[C@@]2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587373448 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1Br)O2 ZINC000587373600 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1Br)O2 ZINC000587373603 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(Br)c1)O2 ZINC000587373987 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cnc1N)O2 ZINC000587374024 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cnc1N)O2 ZINC000587374025 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cn1)O2 ZINC000587374079 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cn1)O2 ZINC000587374081 EG Annotated Anodyne COc1ccc([C@]2(CO)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374099 EG Annotated Anodyne COc1ccc([C@@]2(CO)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374100 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(Br)c1)O2 ZINC000587374174 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)n1)O2 ZINC000587374300 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)n1)O2 ZINC000587374301 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccncc1Br)O2 ZINC000587374445 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccncc1Br)O2 ZINC000587374446 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)cc1N)O2 ZINC000587374481 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)cc1N)O2 ZINC000587374482 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncccc1Br)O2 ZINC000587374978 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncccc1Br)O2 ZINC000587374979 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N)c(Br)c1)O2 ZINC000587375025 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N)c(Br)c1)O2 ZINC000587375026 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncncc1Br)O2 ZINC000587375132 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncncc1Br)O2 ZINC000587375134 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c(C)c1Br)O2 ZINC000587376131 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c(C)c1Br)O2 ZINC000587376133 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(CCCl)c1C)O2 ZINC000587376278 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(CCCl)c1C)O2 ZINC000587376282 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1)(C(=O)O)O2 ZINC000587376427 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1)(C(=O)O)O2 ZINC000587376428 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nc(C)c(Cl)c1C)O2 ZINC000587376519 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nc(C)c(Cl)c1C)O2 ZINC000587376536 EG Annotated Anodyne COC(=O)[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376635 EG Annotated Anodyne COC(=O)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376643 EG Annotated Anodyne COC(C)(C)[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376858 EG Annotated Reactive COC(C)(C)[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376866 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(Cl)ccn1)O2 ZINC000587377025 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(Cl)ccn1)O2 ZINC000587377026 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccnc1N(C)C)O2 ZINC000587377264 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccnc1N(C)C)O2 ZINC000587377267 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)([C@@H](C)O)O2 ZINC000587377389 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)([C@H](C)O)O2 ZINC000587377390 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)([C@H](C)O)O2 ZINC000587377391 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)([C@@H](C)O)O2 ZINC000587377392 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccccc1Cl)O2 ZINC000587377407 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccccc1Cl)O2 ZINC000587377408 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(cc1Cl)OCCO3)O2 ZINC000587377419 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(cc1Cl)OCCO3)O2 ZINC000587377420 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(O)c(Br)c1)O2 ZINC000587378333 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(O)c(Br)c1)O2 ZINC000587378339 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)nc1Cl)O2 ZINC000587378385 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)nc1Cl)O2 ZINC000587378386 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cccc(Cl)c21 ZINC000587378393 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cccc(Cl)c21 ZINC000587378396 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(Cl)cc21 ZINC000587378413 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(Cl)cc21 ZINC000587378416 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c1ccc(Cl)c2C ZINC000587378451 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)ccc(C)c21 ZINC000587378581 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)ccc(C)c21 ZINC000587378582 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c1ccc(Cl)c2C ZINC000587378606 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)cc(C)cc21 ZINC000587378619 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)cc(C)cc21 ZINC000587378621 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(C)nc1N(C)C)O2 ZINC000587378706 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(C)nc1N(C)C)O2 ZINC000587378713 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ncnc(Cl)c3n1C)O2 ZINC000587378906 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ncnc(Cl)c3n1C)O2 ZINC000587378914 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C)cc(Cl)cc21 ZINC000587378915 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C)cc(Cl)cc21 ZINC000587378917 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)cccc21 ZINC000587379178 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)cccc21 ZINC000587379181 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3[nH]cnc(Cl)c1-3)O2 ZINC000587379280 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3[nH]cnc(Cl)c1-3)O2 ZINC000587379282 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)cnc1C(=O)O)O2 ZINC000587379316 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)cnc1C(=O)O)O2 ZINC000587379318 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587379558 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587379560 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1c(Cl)ncnc1Cl)O2 ZINC000587379579 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1c(Cl)ncnc1Cl)O2 ZINC000587379581 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nc1N(C)C)O2 ZINC000587379738 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nc1N(C)C)O2 ZINC000587379741 EG Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cnc1Cl ZINC000587380063 EG Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cnc1Cl ZINC000587380064 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc3[nH]c(=N)oc13)O2 ZINC000587380166 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc3[nH]c(=N)oc13)O2 ZINC000587380167 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ncc1C(=O)O)O2 ZINC000587380168 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ncc1C(=O)O)O2 ZINC000587380171 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cnc3c1OCCO3)O2 ZINC000587380267 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cnc3c1OCCO3)O2 ZINC000587380268 EG Annotated Anodyne COc1ncc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587380328 EG Annotated Anodyne COc1ncc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587380333 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(Cl)n1C)O2 ZINC000587380379 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(Cl)n1C)O2 ZINC000587380381 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Cl)ccc21 ZINC000587380412 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Cl)ccc21 ZINC000587380413 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2ccc(Cl)cc21 ZINC000587380416 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2ccc(Cl)cc21 ZINC000587380417 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C)ccc(Cl)c21 ZINC000587380508 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C)ccc(Cl)c21 ZINC000587380509 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2c(Cl)cccc21 ZINC000587380514 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2c(Cl)cccc21 ZINC000587380515 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc([N+](=O)[O-])c1F)O2 ZINC000587380654 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc([N+](=O)[O-])c1F)O2 ZINC000587380658 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc([N+](=O)[O-])cc1F)O2 ZINC000587380739 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc([N+](=O)[O-])cc1F)O2 ZINC000587380740 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(F)cc1F)O2 ZINC000587380757 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(F)cc1F)O2 ZINC000587380759 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)nn1C)O2 ZINC000587380812 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)nn1C)O2 ZINC000587380813 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(F)(F)F)n(C)n1)O2 ZINC000587380915 EG Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1F ZINC000587380931 EG Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1F ZINC000587380934 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3nc(Cl)ccc31)O2 ZINC000587380941 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(F)(F)F)n(C)n1)O2 ZINC000587380942 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3nc(Cl)ccc31)O2 ZINC000587380943 EG Annotated Anodyne COC[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380978 EG Annotated Anodyne COC[C@]1(c2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380981 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3[nH]cnc(Cl)c1-3)O2 ZINC000587380997 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3[nH]cnc(Cl)c1-3)O2 ZINC000587380999 EG Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1O ZINC000587381002 EG Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1O ZINC000587381005 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)ccc(F)c1C(=O)O)O2 ZINC000587381038 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)ccc(F)c1C(=O)O)O2 ZINC000587381039 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)Oc3ccc(Cl)cc31)O2 ZINC000587381068 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)Oc3ccc(Cl)cc31)O2 ZINC000587381072 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1C)O2 ZINC000587381175 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1C)O2 ZINC000587381179 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3[nH]c(Cl)ncc1-3)O2 ZINC000587381194 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3[nH]c(Cl)ncc1-3)O2 ZINC000587381197 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3ccc(Cl)nn13)O2 ZINC000587381212 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3ccc(Cl)nn13)O2 ZINC000587381215 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(C#N)c1N(C)C)O2 ZINC000587381310 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(C#N)c1N(C)C)O2 ZINC000587381311 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(C#N)cc1F)O2 ZINC000587381349 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(C#N)cc1F)O2 ZINC000587381350 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(=O)O)c(F)c1)O2 ZINC000587381375 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(=O)O)c(F)c1)O2 ZINC000587381376 EG Annotated Anodyne CCOC(=O)[C@]1(CCC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381444 EG Annotated Anodyne CCOC(=O)[C@@]1(CCC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381445 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc3c(Cl)n[nH]c13)O2 ZINC000587381734 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc3c(Cl)n[nH]c13)O2 ZINC000587381735 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3n[nH]c(Cl)c3c1)O2 ZINC000587381783 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3n[nH]c(Cl)c3c1)O2 ZINC000587381784 EG Annotated Anodyne COC(=O)c1ccc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587381888 EG Annotated Anodyne COC(=O)c1ccc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587381889 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1ccc(C(F)(F)F)n1)O2 ZINC000587381907 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1ccc(C(F)(F)F)n1)O2 ZINC000587381912 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(CCC(F)(F)F)CC1)O2 ZINC000587382015 EG Annotated Anodyne COc1cc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587382181 EG Annotated Anodyne COc1cc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587382182 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c([N+](=O)[O-])cc1F)O2 ZINC000587382393 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c([N+](=O)[O-])cc1F)O2 ZINC000587382394 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(F)(F)F)nn1C)O2 ZINC000587382543 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(F)(F)F)nn1C)O2 ZINC000587382544 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1C(F)(F)F)O2 ZINC000587382817 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1C(F)(F)F)O2 ZINC000587382818 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc([N+](=O)[O-])c1O)O2 ZINC000587383004 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc([N+](=O)[O-])c1O)O2 ZINC000587383007 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]nc(C(F)(F)F)c1C)O2 ZINC000587383015 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]nc(C(F)(F)F)c1C)O2 ZINC000587383019 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccn1CC(F)(F)F)O2 ZINC000587383035 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(C)nn(C)c1C)(C(F)F)O2 ZINC000587383036 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccn1CC(F)(F)F)O2 ZINC000587383037 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(C)nn(C)c1C)(C(F)F)O2 ZINC000587383044 EG Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587383118 EG Annotated Anodyne CCOC(=O)[C@H](F)[C@H]1CCC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587383121 EG Annotated Anodyne CCOC(=O)[C@H](F)[C@H]1CCC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587383122 EG Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587383123 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)c(C#N)c1F)O2 ZINC000587383172 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)c(C#N)c1F)O2 ZINC000587383173 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(N)c(F)c1F)O2 ZINC000587383192 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(N)c(F)c1F)O2 ZINC000587383193 EG Annotated Anodyne CCn1cc([C@]2(C(F)F)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587383209 EG Annotated Anodyne CCn1cc([C@@]2(C(F)F)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587383218 EG Annotated Anodyne CCn1ncc([C@]2(C(F)F)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587383298 EG Annotated Anodyne CCn1ncc([C@@]2(C(F)F)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587383299 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(CC(F)(F)F)c1)O2 ZINC000587383463 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(CC(F)(F)F)c1)O2 ZINC000587383466 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ncccn1)O2 ZINC000587383514 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ncccn1)O2 ZINC000587383517 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C)c1C(F)(F)F)O2 ZINC000587383620 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C)c1C(F)(F)F)O2 ZINC000587383622 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(CC(F)(F)F)n1)O2 ZINC000587383669 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(CC(F)(F)F)n1)O2 ZINC000587383671 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C#N)=COc2ccc(F)cc21 ZINC000587383765 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C#N)=COc2ccc(F)cc21 ZINC000587383766 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3ccc(F)cc3[nH]1)O2 ZINC000587383767 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3ccc(F)cc3[nH]1)O2 ZINC000587383768 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(c3ccc(F)cc3)C1)O2 ZINC000587383773 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(c3ccc(F)cc3)C1)O2 ZINC000587383774 EG Annotated Anodyne COc1ccc([C@]2([C@@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587383875 EG Annotated Mild COc1ccc([C@@]2([C@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587383880 EG Annotated Mild COc1ccc([C@]2([C@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587383881 EG Annotated Mild COc1ccc([C@@]2([C@@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587383882 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(=O)Nc3ccc(F)cc31)O2 ZINC000587383992 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(=O)Nc3ccc(F)cc31)O2 ZINC000587383993 EG Annotated Anodyne COC(=O)c1cc(F)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384141 EG Annotated Anodyne COC(=O)c1cc(F)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384142 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)cnc1N)O2 ZINC000587384276 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)cnc1N)O2 ZINC000587384277 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(F)cc1)O2 ZINC000587384306 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(F)cc1)O2 ZINC000587384307 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ncc[nH]1)O2 ZINC000587384330 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ncc[nH]1)O2 ZINC000587384331 EG Annotated Anodyne COC(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384370 EG Annotated Anodyne COC(=O)C[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384371 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cnn3C)cc1F)O2 ZINC000587384398 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cnn3C)cc1F)O2 ZINC000587384399 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccccc1F)O2 ZINC000587384447 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccccc1F)O2 ZINC000587384448 EG Annotated Anodyne COC(=O)C[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384453 EG Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384454 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000587384561 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000587384562 EG Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384672 EG Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384673 EG Annotated Anodyne COc1cc(F)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384848 EG Annotated Anodyne COc1cc(F)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384849 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cnccn1)O2 ZINC000587384926 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cnccn1)O2 ZINC000587384927 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587384943 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587384953 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587384954 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C1)O2 ZINC000587384955 EG Annotated Anodyne CC(=O)N(C)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384969 EG Annotated Anodyne CC(=O)N(C)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384972 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc3c1OCOC3)O2 ZINC000587384979 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc3c1OCOC3)O2 ZINC000587384981 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(F)cc1)O2 ZINC000587385386 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(F)cc1)O2 ZINC000587385394 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@]1(c3cccc(F)c3)CCOC1)O2 ZINC000587385448 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@]1(c3cccc(F)c3)CCOC1)O2 ZINC000587385460 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@]1(c3cccc(F)c3)CCOC1)O2 ZINC000587385462 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@]1(c3cccc(F)c3)CCOC1)O2 ZINC000587385464 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC#N ZINC000587385473 EG Annotated Mild COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC#N ZINC000587385480 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)Cl)(c1ccc(F)cc1)O2 ZINC000587385627 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)Cl)(c1ccc(F)cc1)O2 ZINC000587385635 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)ccc(F)c21 ZINC000587385645 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)ccc(F)c21 ZINC000587385647 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(F)ccc(F)c31)O2 ZINC000587385738 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(F)ccc(F)c31)O2 ZINC000587385743 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@H](CC#N)C[C@H]31)O2 ZINC000587385746 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@H](CC#N)C[C@@H]31)O2 ZINC000587385750 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@@H](CC#N)C[C@H]31)O2 ZINC000587385757 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@@H](CC#N)C[C@@H]31)O2 ZINC000587385761 EG Annotated Mild COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)c1 ZINC000587385779 EG Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)c1 ZINC000587385781 EG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385820 EG Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385822 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)NC(=O)OC(C)(C)C)O2 ZINC000587385826 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)NC(=O)OC(C)(C)C)O2 ZINC000587385828 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(F)cc3)n1)O2 ZINC000587385848 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(F)cc3)n1)O2 ZINC000587385854 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(O)c(F)cc31)O2 ZINC000587385871 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(O)c(F)cc31)O2 ZINC000587385875 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN(C)C)cc1)O2 ZINC000587385957 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN(C)C)cc1)O2 ZINC000587385959 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c1ccc(O)c3F)O2 ZINC000587386065 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c1ccc(O)c3F)O2 ZINC000587386067 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(F)cc(Cl)cc21 ZINC000587386125 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)cc(Cl)cc21 ZINC000587386126 EG Annotated Anodyne CCOC(=O)[C@@H](C#N)[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386181 EG Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386187 EG Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386189 EG Annotated Mild CCOC(=O)[C@@H](C#N)[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386191 EG Annotated Mild C/C(=C\[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587386279 EG Annotated Anodyne C/C(=C\[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587386289 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)F)cc1)O2 ZINC000587386379 EG Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)F)cc1)O2 ZINC000587386391 EG Annotated Unstable CC(=O)OC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386413 EG Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386414 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)cc(Cl)c21 ZINC000587386437 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)cc(Cl)c21 ZINC000587386438 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(F)c1)O2 ZINC000587386453 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(F)c1)O2 ZINC000587386455 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c1ccc(Cl)c2F ZINC000587386764 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c1ccc(Cl)c2F ZINC000587386767 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)OC(C)(C)C)(C1CC1)O2 ZINC000587386778 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)OC(C)(C)C)(C1CC1)O2 ZINC000587386779 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587386889 EG Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587386890 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(F)cc(F)cc31)O2 ZINC000587386965 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(F)cc(F)cc31)O2 ZINC000587386966 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)c[nH]c3nccc1-3)O2 ZINC000587386992 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)c[nH]c3nccc1-3)O2 ZINC000587386994 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3cccc(F)n3)CC1)O2 ZINC000587387062 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)NC(C)C)cc1)O2 ZINC000587387080 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)NC(C)C)cc1)O2 ZINC000587387081 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN(C)C)O2 ZINC000587387132 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN(C)C)O2 ZINC000587387134 EG Annotated Anodyne CN[C@@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387204 EG Annotated Anodyne CN[C@@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387205 EG Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387206 EG Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387207 EG Annotated Anodyne COc1ccc(OCC#N)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587387266 EG Annotated Mild COc1ccc(OCC#N)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587387267 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(CN(C)C)c1)O2 ZINC000587387342 EG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(CN(C)C)c1)O2 ZINC000587387343 EG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NCc1ccccc1)O2 ZINC000587387387 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NCc1ccccc1)O2 ZINC000587387389 EG Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC#N)c1 ZINC000587387465 EG Annotated Mild COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC#N)c1 ZINC000587387466 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)nc(N3CCCC3)c1)O2 ZINC000587387469 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)nc(N3CCCC3)c1)O2 ZINC000587387474 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(F)cc(F)c31)O2 ZINC000587387507 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(F)cc(F)c31)O2 ZINC000587387508 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](N=O)C2 ZINC000587387659 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](N=O)C2 ZINC000587387660 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](N=O)C2 ZINC000587387661 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](N=O)C2 ZINC000587387662 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)CC(=O)/C1=C\N(C)C)O2 ZINC000587387712 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)CC(=O)/C1=C/N(C)C)O2 ZINC000587387713 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)CC(=O)/C1=C/N(C)C)O2 ZINC000587387794 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)CC(=O)/C1=C\N(C)C)O2 ZINC000587387795 EG Annotated Mild COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN(C)C ZINC000587387866 EG Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN(C)C ZINC000587387868 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC(=O)N(C)C)O2 ZINC000587387886 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC(=O)N(C)C)O2 ZINC000587387888 EG Annotated Anodyne CC[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387911 EG Annotated Anodyne CC[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387912 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(CN=O)=COc2ccccc21 ZINC000587387941 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(CN=O)=COc2ccccc21 ZINC000587387943 EG Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC#N ZINC000587388000 EG Annotated Mild COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC#N ZINC000587388001 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)nc1F)O2 ZINC000587388034 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)nc1F)O2 ZINC000587388035 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc3c(c1)OCO3)O2 ZINC000587388036 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc3c(c1)OCO3)O2 ZINC000587388037 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N(C)c1ccccc1)O2 ZINC000587388089 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N(C)c1ccccc1)O2 ZINC000587388090 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCNC(=O)OC(C)(C)C)O2 ZINC000587388105 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCNC(=O)OC(C)(C)C)O2 ZINC000587388106 EG Annotated Anodyne COC(=O)N(C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1 ZINC000587388111 EG Annotated Anodyne COC(=O)N(C[C@H]1CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1 ZINC000587388112 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(CNC(=O)OC(C)(C)C)C1)O2 ZINC000587388128 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCN(C)C)c1)O2 ZINC000587388202 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCN(C)C)c1)O2 ZINC000587388203 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(C)(NC(=O)OC(C)(C)C)C1)O2 ZINC000587388264 EG Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388357 EG Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388358 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc([N+](=O)[O-])ccc31)O2 ZINC000587388397 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc([N+](=O)[O-])ccc31)O2 ZINC000587388401 EG Annotated Bother COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] ZINC000587388408 EG Annotated Bother COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] ZINC000587388409 EG Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 ZINC000587388439 EG Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 ZINC000587388441 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c([N+](=O)[O-])cccc1[N+](=O)[O-])O2 ZINC000587388457 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c([N+](=O)[O-])cccc1[N+](=O)[O-])O2 ZINC000587388458 EG Annotated Bother CC(=O)Nc1ccc2c(c1)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388500 EG Annotated Anodyne CC(=O)Nc1ccc2c(c1)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388501 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)cc1[N+](=O)[O-])O2 ZINC000587388612 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)cc1[N+](=O)[O-])O2 ZINC000587388617 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1ccc(N)cc1)O2 ZINC000587388637 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1ccc(N)cc1)O2 ZINC000587388638 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)c([N+](=O)[O-])c1)O2 ZINC000587388689 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)c([N+](=O)[O-])c1)O2 ZINC000587388690 EG Annotated Bother C=CCOC(=O)NC1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587388763 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587388913 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc([N+](=O)[O-])cc1)O2 ZINC000587388917 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(c1ccccc1N)O2 ZINC000587389044 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(c1ccccc1N)O2 ZINC000587389046 EG Annotated Anodyne COc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587389096 EG Annotated Bother COc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587389099 EG Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587389109 EG Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587389111 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(C)cc1[N+](=O)[O-])O2 ZINC000587389113 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(C)cc1[N+](=O)[O-])O2 ZINC000587389117 EG Annotated Bother COc1ccc2c(c1)nc([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)n2C ZINC000587389128 EG Annotated Anodyne COc1ccc2c(c1)nc([C@H]1CC(=O)c3cc(C)cc(N)c3O1)n2C ZINC000587389131 EG Annotated Anodyne CO[C@@H](C)c1ccc([C@@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389140 EG Annotated Anodyne CO[C@@H](C)c1ccc([C@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389144 EG Annotated Anodyne CO[C@H](C)c1ccc([C@@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389146 EG Annotated Anodyne CO[C@H](C)c1ccc([C@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389149 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C=O)c([N+](=O)[O-])c1)O2 ZINC000587389164 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C=O)c([N+](=O)[O-])c1)O2 ZINC000587389169 EG Annotated Bother COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587389170 EG Annotated Bother COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587389171 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)cc3[nH]c(=N)oc13)O2 ZINC000587389273 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)cc3[nH]c(=N)oc13)O2 ZINC000587389274 EG Annotated Anodyne COc1ccc(-n2ccnc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389310 EG Annotated Anodyne COc1ccc(-n2ccnc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389311 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1nc(C)cc(C)n1)O2 ZINC000587389318 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1nc(C)cc(C)n1)O2 ZINC000587389319 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cncn3)c(C)c1)O2 ZINC000587389382 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cncn3)c(C)c1)O2 ZINC000587389394 EG Annotated Anodyne COc1ccc(-n2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 ZINC000587389395 EG Annotated Anodyne COc1ccc(-n2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 ZINC000587389396 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC[N+](=O)[O-])(c1ccccc1)O2 ZINC000587389425 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CC[N+](=O)[O-])(c1ccccc1)O2 ZINC000587389445 EG Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389446 EG Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389448 EG Annotated Bother CCCOc1ccccc1[C@@]1(CN)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389454 EG Annotated Anodyne CCCOc1ccccc1[C@]1(CN)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389462 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(C)n1)O2 ZINC000587389474 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(C)n1)O2 ZINC000587389475 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C(=O)OC(C)(C)C)c1)O2 ZINC000587389485 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C(=O)OC(C)(C)C)c1)O2 ZINC000587389493 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(-c3ccccc3)nn1)O2 ZINC000587389495 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(-c3ccccc3)nn1)O2 ZINC000587389502 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)C)nn(C)c1N(C)C)O2 ZINC000587389524 EG Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1N ZINC000587389538 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)C)nn(C)c1N(C)C)O2 ZINC000587389539 EG Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1N ZINC000587389547 EG Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] ZINC000587389610 EG Annotated Bother COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] ZINC000587389612 EG Annotated Bother CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c([N+](=O)[O-])c1 ZINC000587389621 EG Annotated Bother CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c([N+](=O)[O-])c1 ZINC000587389623 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-n3cccn3)c(C)c1)O2 ZINC000587389624 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] ZINC000587389625 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-n3cccn3)c(C)c1)O2 ZINC000587389626 EG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] ZINC000587389627 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1ccc([N+](=O)[O-])cc1)O2 ZINC000587389669 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1ccc([N+](=O)[O-])cc1)O2 ZINC000587389670 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](c3nccn3C)C1)O2 ZINC000587389740 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](c3nccn3C)C1)O2 ZINC000587389741 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](c3nccn3C)C1)O2 ZINC000587389742 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](c3nccn3C)C1)O2 ZINC000587389743 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)O2 ZINC000587389818 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)O2 ZINC000587389820 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ncccc1C)O2 ZINC000587389826 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ncccc1C)O2 ZINC000587389827 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1cccnc1)O2 ZINC000587389856 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc([N+](=O)[O-])cc31)O2 ZINC000587389863 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3ccc([N+](=O)[O-])cc31)O2 ZINC000587389865 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1cccnc1)O2 ZINC000587389869 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cnc(=N)[nH]c1)O2 ZINC000587389891 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cnc(=N)[nH]c1)O2 ZINC000587389893 EG Annotated Anodyne COCCn1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587390024 EG Annotated Anodyne COCCn1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587390026 EG Annotated Anodyne COc1cc(N)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587390049 EG Annotated Anodyne COc1cc(N)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587390060 EG Annotated Anodyne COc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587390185 EG Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587390188 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(CCN)c3ccccc13)O2 ZINC000587390198 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(CCN)c3ccccc13)O2 ZINC000587390199 EG Annotated Anodyne COc1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(C)C)nn1C ZINC000587390303 EG Annotated Anodyne COc1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(C)C)nn1C ZINC000587390305 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1cccn1C)(c1cccn1C)O2 ZINC000587390306 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1Cn1cncn1)O2 ZINC000587390408 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1Cn1cncn1)O2 ZINC000587390414 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1Cn1cncn1)O2 ZINC000587390420 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1Cn1cncn1)O2 ZINC000587390423 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3ccc([N+](=O)[O-])cc13)O2 ZINC000587390497 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3ccc([N+](=O)[O-])cc13)O2 ZINC000587390502 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(O)c1[N+](=O)[O-])O2 ZINC000587390567 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(O)c1[N+](=O)[O-])O2 ZINC000587390569 EG Annotated Bother CC(=O)Nc1cccc2c1[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390625 EG Annotated Anodyne CC(=O)Nc1cccc2c1[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390626 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-n1ccnn1)O2 ZINC000587390724 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-n1ccnn1)O2 ZINC000587390725 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N(C)C)O2 ZINC000587390827 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N(C)C)O2 ZINC000587390828 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccccc1[N+](=O)[O-])O2 ZINC000587390934 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccccc1[N+](=O)[O-])O2 ZINC000587390935 EG Annotated Bother COc1cc([N+](=O)[O-])ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390948 EG Annotated Bother COc1cc([N+](=O)[O-])ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390949 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3ccc([N+](=O)[O-])cc31)O2 ZINC000587390980 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3ccc([N+](=O)[O-])cc31)O2 ZINC000587390981 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccncc3)nc1C)O2 ZINC000587391200 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccncc3)nc1C)O2 ZINC000587391201 EG Annotated Anodyne CNc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587391303 EG Annotated Bother CNc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587391304 EG Annotated Bother COc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] ZINC000587391305 EG Annotated Bother COc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] ZINC000587391306 EG Annotated Bother CNc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587391329 EG Annotated Bother CNc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587391330 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cccc([N+](=O)[O-])c1)O2 ZINC000587391357 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cccc([N+](=O)[O-])c1)O2 ZINC000587391358 EG Annotated Mild COc1cc([N+](=O)[O-])ccc1C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391375 EG Annotated Bother COc1cc([N+](=O)[O-])ccc1C[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391376 EG Annotated Bother COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1OC ZINC000587391411 EG Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1OC ZINC000587391412 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1cccc(N)c1)O2 ZINC000587391447 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1cccc(N)c1)O2 ZINC000587391448 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1ccnc1)(c1ccccc1)O2 ZINC000587391528 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1ccnc1)(c1ccccc1)O2 ZINC000587391530 EG Annotated Anodyne COc1ccc(N)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587391540 EG Annotated Anodyne COc1ccc(N)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587391542 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccn3)c1C)O2 ZINC000587391584 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccn3)c1C)O2 ZINC000587391586 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1C[C@H]1CCCO1)O2 ZINC000587391615 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1C[C@H]1CCCO1)O2 ZINC000587391617 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1C[C@@H]1CCCO1)O2 ZINC000587391619 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1C[C@@H]1CCCO1)O2 ZINC000587391622 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nccn1C)(c1ccccc1)O2 ZINC000587391689 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nccn1C)(c1ccccc1)O2 ZINC000587391694 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000587391703 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000587391705 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C=O)cc1[N+](=O)[O-])O2 ZINC000587391769 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C=O)cc1[N+](=O)[O-])O2 ZINC000587391770 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c([N+](=O)[O-])c1)O2 ZINC000587391773 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c([N+](=O)[O-])c1)O2 ZINC000587391774 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3cc([N+](=O)[O-])ccc13)O2 ZINC000587391794 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3cc([N+](=O)[O-])ccc13)O2 ZINC000587391797 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1O)O2 ZINC000587391917 EG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1O)O2 ZINC000587391924 EG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)O2 ZINC000587391935 EG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)O2 ZINC000587391937 EG Annotated Bother Cc1cc(C)cc(-n2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c1 ZINC000587392003 EG Annotated Anodyne Cc1cc(C)cc(-n2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c1 ZINC000587392005 EG Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1C ZINC000587392090 EG Annotated Anodyne CCOC(=O)[C@H](C)n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392092 EG Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1C ZINC000587392093 EG Annotated Anodyne CCOC(=O)[C@H](C)n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392100 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1N)O2 ZINC000587392125 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1N)O2 ZINC000587392128 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccn3)c1C)O2 ZINC000587392263 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccn3)c1C)O2 ZINC000587392266 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnn1[C@H]1CCCCO1)O2 ZINC000587392292 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1[C@H]1CCCCO1)O2 ZINC000587392294 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnn1[C@@H]1CCCCO1)O2 ZINC000587392295 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1[C@@H]1CCCCO1)O2 ZINC000587392296 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3cnn(C)c3)C1(C)C)O2 ZINC000587392378 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3cnn(C)c3)C1(C)C)O2 ZINC000587392380 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3cnn(C)c3)C1(C)C)O2 ZINC000587392383 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3cnn(C)c3)C1(C)C)O2 ZINC000587392387 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1NC(=O)OC(C)(C)C)O2 ZINC000587392420 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1NC(=O)OC(C)(C)C)O2 ZINC000587392421 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1NC(=O)OC(C)(C)C)O2 ZINC000587392422 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1NC(=O)OC(C)(C)C)O2 ZINC000587392423 EG Annotated Anodyne COc1cc(N)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587392428 EG Annotated Anodyne COc1cc(N)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587392429 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N1CCCC[C@H]1C)O2 ZINC000587392439 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N1CCCC[C@@H]1C)O2 ZINC000587392441 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N1CCCC[C@@H]1C)O2 ZINC000587392442 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N1CCCC[C@H]1C)O2 ZINC000587392444 EG Annotated Anodyne COc1ccccc1-n1nccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392653 EG Annotated Anodyne COc1ccccc1-n1nccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392654 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3cc(C)cn3)o1)O2 ZINC000587392677 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3cc(C)cn3)o1)O2 ZINC000587392678 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cnn(C)c1)O2 ZINC000587392684 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cnn(C)c1)O2 ZINC000587392685 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nnn(-c3ccccc3)c1C)O2 ZINC000587392704 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(-c3ccccc3)c1C)O2 ZINC000587392705 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587392744 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587392747 EG Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)nn2)cc1 ZINC000587392866 EG Annotated Anodyne Cc1ccc(Cn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)nn2)cc1 ZINC000587392869 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](c3ccnn3C)C1)O2 ZINC000587392870 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](c3ccnn3C)C1)O2 ZINC000587392871 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](c3ccnn3C)C1)O2 ZINC000587392872 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](c3ccnn3C)C1)O2 ZINC000587392873 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn([C@H]3CCCCO3)n1)O2 ZINC000587392935 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn([C@H]3CCCCO3)n1)O2 ZINC000587392936 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn([C@@H]3CCCCO3)n1)O2 ZINC000587392937 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn([C@@H]3CCCCO3)n1)O2 ZINC000587392938 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cncn3)cc1)O2 ZINC000587392939 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cncn3)cc1)O2 ZINC000587392940 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccncc1)O2 ZINC000587392947 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccncc1)O2 ZINC000587392948 EG Annotated Anodyne COc1ccccc1N1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587393041 EG Annotated Anodyne COc1ccccc1N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587393048 EG Annotated Anodyne COc1ccccc1-n1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587393088 EG Annotated Anodyne COc1ccccc1-n1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587393090 EG Annotated Anodyne COc1ccc(-n2cccn2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587393103 EG Annotated Anodyne COc1ccc(-n2cccn2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587393105 EG Annotated Anodyne COc1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587393123 EG Annotated Anodyne COc1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587393130 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(Cc3ccccc3)nn1)O2 ZINC000587393190 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(Cc3ccccc3)nn1)O2 ZINC000587393192 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cnccn1)(c1ccccc1)O2 ZINC000587393246 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cnccn1)(c1ccccc1)O2 ZINC000587393247 EG Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393414 EG Annotated Anodyne CC[C@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393415 EG Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393416 EG Annotated Anodyne CC[C@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393417 EG Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587393505 EG Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587393507 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ncccn1)O2 ZINC000587393554 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ncccn1)O2 ZINC000587393556 EG Annotated Anodyne COc1cc(C)c(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587393690 EG Annotated Anodyne COc1cc(C)c(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587393692 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1ccccn1)O2 ZINC000587393741 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1ccccn1)O2 ZINC000587393742 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccccn1)O2 ZINC000587393762 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccccn1)O2 ZINC000587393763 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587393776 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587393777 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ncccc2-c2cccnc21 ZINC000587393880 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3cc(C)nn3c1C)O2 ZINC000587393923 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3cc(C)nn3c1C)O2 ZINC000587393925 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1ccncc1)(c1ccncc1)O2 ZINC000587394107 EG Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc21 ZINC000587394131 EG Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc21 ZINC000587394133 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccn1)(c1cccnc1)O2 ZINC000587394285 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccn1)(c1cccnc1)O2 ZINC000587394286 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccn3)nc1)O2 ZINC000587394327 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccn3)nc1)O2 ZINC000587394334 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cncnc1)O2 ZINC000587394402 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cncnc1)O2 ZINC000587394403 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cccnc2-c2ncccc21 ZINC000587394414 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1ccccn1)(c1ccccn1)O2 ZINC000587394455 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(C1CCOCC1)O2 ZINC000587394605 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(C1CCOCC1)O2 ZINC000587394606 EG Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587394648 EG Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587394649 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(=O)N3CCc4cccc1c43)O2 ZINC000587394821 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(=O)N3CCc4cccc1c43)O2 ZINC000587394822 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccncn1)(c1ccccc1)O2 ZINC000587394823 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccncn1)(c1ccccc1)O2 ZINC000587394824 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCn3c(O)nc4cccc1c43)O2 ZINC000587394886 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCn3c(O)nc4cccc1c43)O2 ZINC000587394890 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnoc1)(c1ccccc1O)O2 ZINC000587394920 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnoc1)(c1ccccc1O)O2 ZINC000587394923 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C[C@@H]1C)O2 ZINC000587395179 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C[C@H]1C)O2 ZINC000587395180 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C[C@H]1C)O2 ZINC000587395181 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C[C@@H]1C)O2 ZINC000587395182 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587395238 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587395239 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587395244 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccncn1)O2 ZINC000587395362 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccncn1)O2 ZINC000587395363 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1cccnc1)(c1cccnc1)O2 ZINC000587395390 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1c[nH]c3ccccc13)O2 ZINC000587395429 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1c[nH]c3ccccc13)O2 ZINC000587395430 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)([C@H](C)O)O2 ZINC000587395431 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)([C@@H](C)O)O2 ZINC000587395432 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)([C@@H](C)O)O2 ZINC000587395433 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)([C@H](C)O)O2 ZINC000587395434 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587395445 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587395467 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587395468 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587395469 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C1)O2 ZINC000587395470 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(c3ccccc3)C(=O)C1)O2 ZINC000587395505 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(c3ccccc3)C(=O)C1)O2 ZINC000587395506 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(c3nc(C)no3)CC1)O2 ZINC000587395596 EG Annotated Anodyne CCOC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)[nH]c1C ZINC000587395657 EG Annotated Anodyne CCOC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)[nH]c1C ZINC000587395658 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(O)cc1)O2 ZINC000587395689 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(O)cc1)O2 ZINC000587395690 EG Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395703 EG Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395704 EG Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395737 EG Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395738 EG Annotated Anodyne CCOCCCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1 ZINC000587395804 EG Annotated Anodyne CCOCCCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1 ZINC000587395808 EG Annotated Anodyne CCOCCCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1 ZINC000587395811 EG Annotated Anodyne CCOCCCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1 ZINC000587395813 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(C1CCOCC1)O2 ZINC000587395843 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(C1CCOCC1)O2 ZINC000587395845 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3CCC3=O)c1)O2 ZINC000587395859 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CCC3=O)c1)O2 ZINC000587395862 EG Annotated Anodyne COC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587395957 EG Annotated Anodyne COC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587395958 EG Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587395987 EG Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587395988 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c(O)nc1-c1ccccc1)O2 ZINC000587396033 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c(O)nc1-c1ccccc1)O2 ZINC000587396034 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(=O)O)[nH]c3ccccc13)O2 ZINC000587396045 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(=O)O)[nH]c3ccccc13)O2 ZINC000587396046 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587396154 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587396155 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(C(=O)O)ccc13)O2 ZINC000587396385 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(C(=O)O)ccc13)O2 ZINC000587396386 EG Annotated Anodyne CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396399 EG Annotated Anodyne CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396400 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1[nH]c(C)c(C(=O)O)c1C)O2 ZINC000587396454 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1[nH]c(C)c(C(=O)O)c1C)O2 ZINC000587396478 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cccc(C(=O)O)c13)O2 ZINC000587396642 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cccc(C(=O)O)c13)O2 ZINC000587396644 EG Annotated Anodyne CCOC(=O)c1[nH]c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587396675 EG Annotated Anodyne CCOC(=O)c1[nH]c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587396677 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3n[nH]c(C)c31)O2 ZINC000587396693 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3n[nH]c(C)c31)O2 ZINC000587396695 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccco3)CC1)O2 ZINC000587396938 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c(C)c(C(=O)O)c31)O2 ZINC000587397065 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c(C)c(C(=O)O)c31)O2 ZINC000587397066 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C#N)c1nc3ccccc3[nH]1)O2 ZINC000587397081 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C#N)c1nc3ccccc3[nH]1)O2 ZINC000587397082 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C#N)c1nc3ccccc3[nH]1)O2 ZINC000587397083 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C#N)c1nc3ccccc3[nH]1)O2 ZINC000587397084 EG Annotated Mild CCOC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587397095 EG Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587397096 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)O)c1C)O2 ZINC000587397111 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C)O2 ZINC000587397112 EG Annotated Anodyne COc1ccc(N2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 ZINC000587397235 EG Annotated Clean COc1ccc(N2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 ZINC000587397236 EG Annotated Clean Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(C#N)cc3)CC1)O2 ZINC000587397263 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3=O)cc1)O2 ZINC000587397269 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3=O)cc1)O2 ZINC000587397270 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1)O2 ZINC000587397428 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1)O2 ZINC000587397430 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CCC[C@H]1CN(C1CC1)C2 ZINC000587397529 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c(C)c(CCC(=O)O)c1C)O2 ZINC000587397659 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c(C)c(CCC(=O)O)c1C)O2 ZINC000587397661 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c(C(=O)O)c(C)c31)O2 ZINC000587397673 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c(C(=O)O)c(C)c31)O2 ZINC000587397676 EG Annotated Anodyne CCOC(=O)C1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CCCC1 ZINC000587397684 EG Annotated Anodyne CCOC(=O)C1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CCCC1 ZINC000587397689 EG Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587397725 EG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587397730 EG Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587397733 EG Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587397736 EG Annotated Anodyne COc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587397738 EG Annotated Anodyne COc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587397740 EG Annotated Anodyne COC(=O)c1ccc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587397780 EG Annotated Anodyne COC(=O)c1ccc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587397782 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H](C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397953 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397956 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397958 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H](C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397959 EG Annotated Anodyne COC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587398022 EG Annotated Anodyne COC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587398024 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCC(=O)O)c1)O2 ZINC000587398069 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCC(=O)O)c1)O2 ZINC000587398071 EG Annotated Anodyne COC(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398157 EG Annotated Anodyne COC(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398158 EG Annotated Anodyne COCCOc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398164 EG Annotated Anodyne COCCOc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398167 EG Annotated Anodyne COC(=O)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398170 EG Annotated Anodyne COC(=O)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398173 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587398179 EG Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587398187 EG Annotated Anodyne COCCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398198 EG Annotated Anodyne COCCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398201 EG Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398223 EG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398225 EG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398226 EG Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398228 EG Annotated Anodyne COc1cc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587398232 EG Annotated Anodyne COc1cc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587398233 EG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398236 EG Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398240 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587398288 EG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587398292 EG Annotated Anodyne COc1cc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398301 EG Annotated Anodyne COc1cc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398302 EG Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1O ZINC000587398303 EG Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1O ZINC000587398305 EG Annotated Anodyne CCOC(=O)CC1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398338 EG Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398339 EG Annotated Anodyne CCOc1ccc(C(=O)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398340 EG Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O ZINC000587398557 EG Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O ZINC000587398559 EG Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398584 EG Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398585 EG Annotated Anodyne CCOC(=O)[C@@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398609 EG Annotated Anodyne CCOC(=O)[C@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398611 EG Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587398614 EG Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587398615 EG Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398656 EG Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398658 EG Annotated Anodyne COCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398669 EG Annotated Anodyne COCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398670 EG Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398698 EG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398699 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000587398814 EG Annotated Anodyne C#CCOc1ccc(OC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398855 EG Annotated Mild C#CCOc1ccc(OC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398857 EG Annotated Mild CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)ccc21 ZINC000587399016 EG Annotated Anodyne COc1ccc(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399031 EG Annotated Anodyne COc1ccc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399036 EG Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)ccc21 ZINC000587399041 EG Annotated Anodyne COc1ccc(OC(C)=O)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399069 EG Annotated Anodyne COc1ccc(OC(C)=O)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399070 EG Annotated Anodyne COc1cc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587399087 EG Annotated Anodyne COc1cc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587399088 EG Annotated Anodyne CCOC(=O)C[C@]1(C2CCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399129 EG Annotated Anodyne CCOC(=O)C[C@@]1(C2CCCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399130 EG Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)O ZINC000587399181 EG Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)O ZINC000587399183 EG Annotated Anodyne COCOc1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399210 EG Annotated Anodyne COCOc1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399211 EG Annotated Anodyne COC(=O)C1C[C@@H]2CCC[C@H](C1)C21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399216 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1cccc(C=O)c1)O2 ZINC000587399228 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1cccc(C=O)c1)O2 ZINC000587399229 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H]([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587399302 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H]([C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587399305 EG Annotated Anodyne COC(=O)[C@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399378 EG Annotated Anodyne COC(=O)[C@@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399388 EG Annotated Anodyne COC(=O)c1cccc2c1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399417 EG Annotated Anodyne COC(=O)c1cccc2c1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399426 EG Annotated Anodyne COC(=O)C[C@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399472 EG Annotated Anodyne COC(=O)C[C@@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399474 EG Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1OC ZINC000587399523 EG Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1OC ZINC000587399526 EG Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(C)=O ZINC000587399530 EG Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(C)=O ZINC000587399532 EG Annotated Anodyne COC(=O)[C@H]1CCC(C)(C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399534 EG Annotated Anodyne COC(=O)[C@@H]1CCC(C)(C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399536 EG Annotated Anodyne COC(=O)[C@@H]1CCC(C)(C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399540 EG Annotated Anodyne COC(=O)[C@H]1CCC(C)(C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399543 EG Annotated Anodyne COc1cccc(OC)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399563 EG Annotated Anodyne COc1cccc(OC)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399565 EG Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587399595 EG Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@H]1CC1(CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587399599 EG Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587399600 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2C[C@H]1CN(Cc1ccccc1)C2 ZINC000587399613 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N1CCCCCC1)O2 ZINC000587399629 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N1CCCCCC1)O2 ZINC000587399630 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1C ZINC000587399726 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C ZINC000587399727 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C ZINC000587399728 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1C ZINC000587399729 EG Annotated Anodyne CCOc1ccc([C@@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399812 EG Annotated Mild CCOc1ccc([C@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399813 EG Annotated Mild COC(=O)c1cc(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399838 EG Annotated Anodyne COC(=O)c1cc(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399839 EG Annotated Anodyne COC(=O)c1ccc2c(c1)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399889 EG Annotated Anodyne CCOC(=O)C[C@H]1CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399891 EG Annotated Anodyne COC(=O)c1ccc2c(c1)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399892 EG Annotated Anodyne CCOC(=O)C[C@@H]1CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399894 EG Annotated Anodyne CCOC(=O)C[C@@H]1CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399896 EG Annotated Anodyne CCOC(=O)C[C@H]1CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399898 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCC(=O)N3C)O2 ZINC000587400032 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCC(=O)N3C)O2 ZINC000587400033 EG Annotated Anodyne CCOC(=O)C[C@]1(CC2CCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400122 EG Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400123 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587400134 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H]([C@H]2CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587400135 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@H]([C@H]2CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587400136 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@H]([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587400137 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1OC ZINC000587400191 EG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1OC ZINC000587400195 EG Annotated Anodyne COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC ZINC000587400202 EG Annotated Anodyne COCc1ccc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400205 EG Annotated Anodyne COCc1ccc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400207 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1CCNCC1)O2 ZINC000587400208 EG Annotated Anodyne COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC ZINC000587400209 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1CCNCC1)O2 ZINC000587400211 EG Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC ZINC000587400218 EG Annotated Anodyne CC(=O)OC[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400220 EG Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC ZINC000587400221 EG Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400223 EG Annotated Anodyne CCCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587400245 EG Annotated Anodyne CCCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587400247 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccccc1O)O2 ZINC000587400260 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccccc1O)O2 ZINC000587400263 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccccc1O)O2 ZINC000587400264 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccccc1O)O2 ZINC000587400266 EG Annotated Anodyne COC(=O)c1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400307 EG Annotated Anodyne COC(=O)c1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400308 EG Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587400331 EG Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587400333 EG Annotated Anodyne COCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587400463 EG Annotated Anodyne COCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587400465 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1 ZINC000587400505 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1 ZINC000587400506 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1 ZINC000587400508 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1 ZINC000587400509 EG Annotated Anodyne CCOC(=O)[C@H]1CCCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587400523 EG Annotated Anodyne CCOC(=O)[C@@H]1CCCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587400524 EG Annotated Anodyne CCOC(=O)[C@H]1CCCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587400526 EG Annotated Anodyne CCOC(=O)[C@@H]1CCCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587400527 EG Annotated Anodyne CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CO ZINC000587400540 EG Annotated Anodyne CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CO ZINC000587400542 EG Annotated Anodyne CCOC(=O)[C@@H](c1ccccc1)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400561 EG Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400562 EG Annotated Anodyne CCOC(=O)[C@@H](c1ccccc1)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400563 EG Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400564 EG Annotated Anodyne CCOC(=O)c1ccc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400581 EG Annotated Anodyne CCOC(=O)c1ccc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400583 EG Annotated Anodyne CCOC(=O)C1(C)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587400619 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCCCC3)nc1)O2 ZINC000587400640 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCCCC3)nc1)O2 ZINC000587400643 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)=O ZINC000587400761 EG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)=O ZINC000587400762 EG Annotated Anodyne COc1cc(OC)c(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400764 EG Annotated Anodyne COc1cc(OC)c(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400765 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O ZINC000587400777 EG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O ZINC000587400779 EG Annotated Anodyne COCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587400868 EG Annotated Anodyne COCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587400871 EG Annotated Anodyne COc1ccc(COC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400885 EG Annotated Anodyne COc1ccc(COC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587400887 EG Annotated Anodyne COc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400941 EG Annotated Anodyne COc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400942 EG Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401013 EG Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401019 EG Annotated Anodyne COC(=O)[C@@H](C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401023 EG Annotated Anodyne COC(=O)[C@@H](C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401026 EG Annotated Anodyne CC(=O)COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401054 EG Annotated Anodyne CC(=O)COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401056 EG Annotated Anodyne COCCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401244 EG Annotated Anodyne COCCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401245 EG Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401288 EG Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401289 EG Annotated Anodyne COCOc1ccc(OC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401299 EG Annotated Anodyne COCOc1ccc(OC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401309 EG Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)=O ZINC000587401346 EG Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)=O ZINC000587401347 EG Annotated Anodyne COC(=O)c1cc(OC)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401350 EG Annotated Anodyne COC(=O)c1cc(OC)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401351 EG Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587401364 EG Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587401365 EG Annotated Anodyne COc1cc(OC)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401376 EG Annotated Anodyne COc1cc(OC)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401378 EG Annotated Anodyne COc1cc(O)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401414 EG Annotated Anodyne COc1cc(O)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401415 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@@H](C)C(=O)O)cc1)O2 ZINC000587401536 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@H](C)C(=O)O)cc1)O2 ZINC000587401537 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@@H](C)C(=O)O)cc1)O2 ZINC000587401538 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@H](C)C(=O)O)cc1)O2 ZINC000587401539 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC[C@H]1CN(C(C)(C)C)C2 ZINC000587401641 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(N3CCOCC3)c1)O2 ZINC000587401668 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(N3CCOCC3)c1)O2 ZINC000587401669 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(OCCO)c(C)c1)O2 ZINC000587401719 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(OCCO)c(C)c1)O2 ZINC000587401720 EG Annotated Anodyne COC(=O)/C=C/c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587401898 EG Annotated Anodyne COC(=O)/C=C/c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587401900 EG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C=O ZINC000587401902 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C=O ZINC000587401903 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1OCC(=O)O)O2 ZINC000587401943 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1OCC(=O)O)O2 ZINC000587401944 EG Annotated Anodyne CCCCOC(=O)[C@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401956 EG Annotated Anodyne CCCCOC(=O)[C@@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401957 EG Annotated Anodyne CCCCOC(=O)[C@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401958 EG Annotated Anodyne CCCCOC(=O)[C@@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401959 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCC(=O)O)O2 ZINC000587401960 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCC(=O)O)O2 ZINC000587401961 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@@H](C)C(=O)O)c1)O2 ZINC000587401972 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@H](C)C(=O)O)c1)O2 ZINC000587401973 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@@H](C)C(=O)O)c1)O2 ZINC000587401974 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@H](C)C(=O)O)c1)O2 ZINC000587401975 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)CCC(=O)N3)O2 ZINC000587401990 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)CCC(=O)N3)O2 ZINC000587401991 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N1CCOCC1)O2 ZINC000587402073 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1CCOCC1)O2 ZINC000587402074 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C(C)C)c2ccccc21 ZINC000587402208 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C(C)C)c2ccccc21 ZINC000587402210 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1O[C@@H](C)C(=O)O)O2 ZINC000587402212 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1O[C@H](C)C(=O)O)O2 ZINC000587402214 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1O[C@@H](C)C(=O)O)O2 ZINC000587402215 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1O[C@H](C)C(=O)O)O2 ZINC000587402216 EG Annotated Anodyne C#CCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402273 EG Annotated Mild C#CCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402274 EG Annotated Mild C#CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587402307 EG Annotated Mild C#CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587402309 EG Annotated Mild COC1=CC(=O)c2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402325 EG Annotated Mild COC1=CC(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402326 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1CCCNC1)O2 ZINC000587402433 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCCNC1)O2 ZINC000587402435 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1CCCNC1)O2 ZINC000587402437 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCCNC1)O2 ZINC000587402438 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCC(=O)O)cc1)O2 ZINC000587402504 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCC(=O)O)cc1)O2 ZINC000587402506 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CCC(=O)O)cc1)O2 ZINC000587402897 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CCC(=O)O)cc1)O2 ZINC000587402898 EG Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C)o2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403338 EG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C)o2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403339 EG Annotated Anodyne COC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C(=O)C=C1C(C)(C)C ZINC000587403476 EG Annotated Mild COC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C(=O)C=C1C(C)(C)C ZINC000587403477 EG Annotated Mild COc1ccc(OC)c2c1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403495 EG Annotated Anodyne COc1ccc(OC)c2c1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403496 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C(=O)O)c3ccccc31)O2 ZINC000587403527 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](C(=O)O)c3ccccc31)O2 ZINC000587403528 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C(=O)O)c3ccccc31)O2 ZINC000587403529 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](C(=O)O)c3ccccc31)O2 ZINC000587403530 EG Annotated Anodyne COC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)o1 ZINC000587403647 EG Annotated Anodyne COC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)o1 ZINC000587403650 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CCC(=O)O)oc1C)O2 ZINC000587403711 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CCC(=O)O)oc1C)O2 ZINC000587403712 EG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403782 EG Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403783 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CC1)CC(C(=O)O)C3)O2 ZINC000587403800 EG Annotated Anodyne COC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1=O ZINC000587404021 EG Annotated Mild COC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1=O ZINC000587404023 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@](C)(O)C[C@@H]1C[C@H]3CC[C@H]1C3)O2 ZINC000587404124 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@](C)(O)C[C@@H]1C[C@H]3CC[C@H]1C3)O2 ZINC000587404125 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@](C)(O)C[C@H]1C[C@H]3CC[C@H]1C3)O2 ZINC000587404126 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@](C)(O)C[C@H]1C[C@H]3CC[C@H]1C3)O2 ZINC000587404127 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C#CC(C)(C)O)cc1)O2 ZINC000587404186 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C#CC(C)(C)O)cc1)O2 ZINC000587404187 EG Annotated Mild CCc1oc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)OC ZINC000587404410 EG Annotated Anodyne CCc1oc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)OC ZINC000587404411 EG Annotated Anodyne CC(=O)Oc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587404578 EG Annotated Anodyne CC(=O)Oc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587404579 EG Annotated Anodyne COc1ccc2c(c1OC)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404808 EG Annotated Anodyne COc1ccc2c(c1OC)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404809 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(O)c(O)c1)O2 ZINC000587405662 EG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(O)c(O)c1)O2 ZINC000587405667 EG Annotated Clean Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CCC[C@H]1CC(C(=O)O)C2 ZINC000587405995 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CC(=O)O)cc1)O2 ZINC000587406036 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CC(=O)O)cc1)O2 ZINC000587406037 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1(C(=O)O)CC1)O2 ZINC000587406046 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1(C(=O)O)CC1)O2 ZINC000587406047 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc3c(c1)CCC3)O2 ZINC000587406411 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc3c(c1)CCC3)O2 ZINC000587406414 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@H]1C)O2 ZINC000587406481 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C)O2 ZINC000587406497 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@H]1C)O2 ZINC000587406498 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@@H]1C)O2 ZINC000587406499 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C[C@@H]1CCCCC13OCCO3)O2 ZINC000587406771 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C[C@H]1CCCCC13OCCO3)O2 ZINC000587406772 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C[C@@H]1CCCCC13OCCO3)O2 ZINC000587406773 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C[C@H]1CCCCC13OCCO3)O2 ZINC000587406774 EG Annotated Anodyne COc1ccc2c(c1)OCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407080 EG Annotated Anodyne COc1ccc2c(c1)OCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407081 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3occ(C(=O)O)c31)O2 ZINC000587407183 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3occ(C(=O)O)c31)O2 ZINC000587407190 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3oc(C)c(C(=O)O)c31)O2 ZINC000587407217 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3oc(C)c(C(=O)O)c31)O2 ZINC000587407220 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1COC(=O)C1)O2 ZINC000587407274 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1COC(=O)C1)O2 ZINC000587407275 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc4c(cc31)OCCO4)O2 ZINC000587407331 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc4c(cc31)OCCO4)O2 ZINC000587407334 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1COC(=O)C1)O2 ZINC000587407500 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1COC(=O)C1)O2 ZINC000587407502 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccoc2CC[C@H]1CC(=O)O ZINC000587407523 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccoc2CC[C@@H]1CC(=O)O ZINC000587407525 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccoc2CC[C@H]1CC(=O)O ZINC000587407526 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccoc2CC[C@@H]1CC(=O)O ZINC000587407528 EG Annotated Anodyne COc1cccc2c1OCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407578 EG Annotated Anodyne COc1cccc2c1OCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407579 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC[C@@H]3CO3)c1)O2 ZINC000587407582 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC[C@H]3CO3)c1)O2 ZINC000587407583 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC[C@@H]3CO3)c1)O2 ZINC000587407584 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC[C@H]3CO3)c1)O2 ZINC000587407585 EG Annotated Anodyne Cc1ccc2c(c1)OC[C@@]1(CO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407660 EG Annotated Anodyne Cc1ccc2c(c1)OC[C@]1(CO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407662 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3cc(C(=O)O)ccc31)O2 ZINC000587407732 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3cc(C(=O)O)ccc31)O2 ZINC000587407758 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2 ZINC000587408171 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](C(=O)O)(C3)C2 ZINC000587408173 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](C(=O)O)(C3)C2 ZINC000587408175 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C#CC(C)(C)O)s1)O2 ZINC000587408347 EG Annotated Mild CCc1ccc2c(c1)[C@@]1(CC(=O)O2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408356 EG Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)O2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408359 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C#CC(C)(C)O)s1)O2 ZINC000587408362 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1C)OCCO3)O2 ZINC000587408378 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1C)OCCO3)O2 ZINC000587408386 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)O)(c3ccccc3)C1)O2 ZINC000587408544 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(N)=S)cc1)O2 ZINC000587408702 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(N)=S)cc1)O2 ZINC000587408709 EG Annotated Anodyne CSc1ccc([C@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408769 EG Annotated Mild CSc1ccc([C@@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408774 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N)c(C#N)c1Cl)O2 ZINC000587408845 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N)c(C#N)c1Cl)O2 ZINC000587408847 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(N)=S)c1)O2 ZINC000587408896 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(N)=S)c1)O2 ZINC000587408897 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cc(C(=O)O)ccc31)O2 ZINC000587408941 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cc(C(=O)O)ccc31)O2 ZINC000587408942 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nc(C)nc1S)O2 ZINC000587409043 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nc(C)nc1S)O2 ZINC000587409044 EG Annotated Anodyne CCc1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(S)n1 ZINC000587409085 EG Annotated Anodyne CCc1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(S)n1 ZINC000587409092 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3nc[nH]n3)o1)O2 ZINC000587409104 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3nc[nH]n3)o1)O2 ZINC000587409109 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)Oc3cc(C)c(C)cc31)O2 ZINC000587409177 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)Oc3cc(C)c(C)cc31)O2 ZINC000587409178 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc3c(c1)OCCO3)O2 ZINC000587409237 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc3c(c1)OCCO3)O2 ZINC000587409241 EG Annotated Anodyne CCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587409271 EG Annotated Anodyne CCS(=O)(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587409272 EG Annotated Anodyne CSc1ncc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587409531 EG Annotated Anodyne CSc1ncc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587409532 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1OCO2 ZINC000587409612 EG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1OCO2 ZINC000587409620 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([S@@](C)=O)cc1)O2 ZINC000587409628 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([S@](C)=O)cc1)O2 ZINC000587409634 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([S@](C)=O)cc1)O2 ZINC000587409635 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([S@@](C)=O)cc1)O2 ZINC000587409636 EG Annotated Anodyne CC(=O)NCc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587409713 EG Annotated Anodyne CC(=O)NCc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587409726 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@]1(C(=O)O)C3(C)C)O2 ZINC000587409773 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@]1(C(=O)O)C3(C)C)O2 ZINC000587409775 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(C(=O)O)C3(C)C)O2 ZINC000587409778 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(C(=O)O)C3(C)C)O2 ZINC000587409780 EG Annotated Anodyne COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)OCCO2 ZINC000587409818 EG Annotated Anodyne COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)OCCO2 ZINC000587409819 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1C[C@H]1C(=O)O)O2 ZINC000587409836 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1C[C@@H]1C(=O)O)O2 ZINC000587409840 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1C[C@@H]1C(=O)O)O2 ZINC000587409841 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1C[C@H]1C(=O)O)O2 ZINC000587409846 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC1C(=O)CC(C)(C)CC1=O)O2 ZINC000587409875 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC1C(=O)CC(C)(C)CC1=O)O2 ZINC000587409876 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CCC(=O)O)c1)O2 ZINC000587409877 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CCC(=O)O)c1)O2 ZINC000587409878 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)O2 ZINC000587409891 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)O2 ZINC000587409892 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2 ZINC000587409906 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2 ZINC000587409907 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(Cl)s1)O2 ZINC000587409965 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(Cl)s1)O2 ZINC000587409969 EG Annotated Anodyne COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)OCO2 ZINC000587410078 EG Annotated Anodyne COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)OCO2 ZINC000587410082 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CC(=O)O)cs1)O2 ZINC000587410096 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CC(=O)O)cs1)O2 ZINC000587410098 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](CC(=O)O)c3ccccc31)O2 ZINC000587410210 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](CC(=O)O)c3ccccc31)O2 ZINC000587410214 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](CC(=O)O)c3ccccc31)O2 ZINC000587410217 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](CC(=O)O)c3ccccc31)O2 ZINC000587410219 EG Annotated Anodyne COC(=O)Cc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587410398 EG Annotated Anodyne COC(=O)Cc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587410399 EG Annotated Anodyne COC(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587410496 EG Annotated Anodyne COC(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587410497 EG Annotated Anodyne COC(=O)c1csc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587410517 EG Annotated Anodyne COC(=O)c1csc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587410519 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CC1CCC3(CC1)OCCO3)O2 ZINC000587410535 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC1CCC3(CC1)OCCO3)O2 ZINC000587410536 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)OCCO3)O2 ZINC000587410593 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)OCCO3)O2 ZINC000587410594 EG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1OCCO2 ZINC000587410807 EG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1OCCO2 ZINC000587410808 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3oc(C(=O)O)c(C)c31)O2 ZINC000587410900 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3oc(C(=O)O)c(C)c31)O2 ZINC000587410901 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ncc[nH]1)(c1cccs1)O2 ZINC000587410981 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ncc[nH]1)(c1cccs1)O2 ZINC000587410984 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(C1CCC1)[C@@H](C2)C3=O ZINC000587411093 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(C1CCC1)[C@@H](C2)C3=O ZINC000587411100 EG Annotated Reactive CSc1ncc2c(n1)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411336 EG Annotated Anodyne CSc1ncc2c(n1)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411337 EG Annotated Anodyne CC(=O)SCC[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411408 EG Annotated Reactive CC(=O)SCC[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411419 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)([C@H](O)c1ccco1)O2 ZINC000587411478 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)([C@@H](O)c1ccco1)O2 ZINC000587411479 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)([C@@H](O)c1ccco1)O2 ZINC000587411480 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)([C@H](O)c1ccco1)O2 ZINC000587411481 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1nccs1)(c1nccs1)O2 ZINC000587411616 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ncccn3)n1)O2 ZINC000587411639 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ncccn3)n1)O2 ZINC000587411640 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C#N)c(S)nc1C)O2 ZINC000587411662 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C#N)c(S)nc1C)O2 ZINC000587411664 EG Annotated Mild CSc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411788 EG Annotated Anodyne CSc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411795 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1COc3ccccc3O1)O2 ZINC000587411895 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1COc3ccccc3O1)O2 ZINC000587412026 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1COc3ccccc3O1)O2 ZINC000587412031 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1COc3ccccc3O1)O2 ZINC000587412036 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCCC3)s1)O2 ZINC000587412095 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCCC3)s1)O2 ZINC000587412105 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCN(C)C)(c1cccs1)O2 ZINC000587412207 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN(C)C)(c1cccs1)O2 ZINC000587412209 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncccc1Br)[C@@H](C2)C3=O ZINC000587412233 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncccc1Br)[C@@H](C2)C3=O ZINC000587412237 EG Annotated Anodyne C/C(=C/[C@@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587412289 EG Annotated Anodyne CSc1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C#N ZINC000587412293 EG Annotated Mild CSc1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C#N ZINC000587412294 EG Annotated Mild C/C(=C\[C@@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587412303 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC[C@@H]3CO3)cc1)O2 ZINC000587412305 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC[C@H]3CO3)cc1)O2 ZINC000587412306 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC[C@@H]3CO3)cc1)O2 ZINC000587412307 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC[C@H]3CO3)cc1)O2 ZINC000587412308 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]ccc1Br)[C@@H](C2)C3=O ZINC000587412502 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]ccc1Br)[C@@H](C2)C3=O ZINC000587412504 EG Annotated Anodyne C/C(=C\[C@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587412512 EG Annotated Anodyne C/C(=C/[C@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587412513 EG Annotated Anodyne CSc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)n1 ZINC000587412516 EG Annotated Anodyne CSc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)n1 ZINC000587412518 EG Annotated Anodyne CC(=O)Nc1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587412626 EG Annotated Anodyne CC(=O)Nc1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587412631 EG Annotated Anodyne CCCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587412636 EG Annotated Anodyne CCCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587412640 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1CCSCC1)O2 ZINC000587412819 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1N1CCSCC1)O2 ZINC000587412820 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1N1CCSCC1)O2 ZINC000587412821 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1N1CCSCC1)O2 ZINC000587412822 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cnccn3)s1)O2 ZINC000587413031 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cnccn3)s1)O2 ZINC000587413033 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(c1nccn1C)O2 ZINC000587413044 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)(c1nccn1C)O2 ZINC000587413051 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1Cc3ccccc3C(=O)O1)O2 ZINC000587413141 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1Cc3ccccc3C(=O)O1)O2 ZINC000587413142 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1Cc3ccccc3C(=O)O1)O2 ZINC000587413143 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1Cc3ccccc3C(=O)O1)O2 ZINC000587413144 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1sc(N)c3C#N)O2 ZINC000587413278 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1sc(N)c3C#N)O2 ZINC000587413293 EG Annotated Mild COc1cc2c3c(c1)O[C@](C1CC1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587413347 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](C1CC1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587413349 EG Annotated Reactive COc1cc2c3c(c1)O[C@](C1CC1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587413350 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](C1CC1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587413351 EG Annotated Reactive CCOC(=O)[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413421 EG Annotated Anodyne CCOC(=O)[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413422 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cccs1)O2 ZINC000587413427 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cccs1)O2 ZINC000587413428 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3cscn3)CC1)O2 ZINC000587413500 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](Br)C(C)C)[C@@H](C2)C3=O ZINC000587413561 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H]([C@@H](Br)C(C)C)[C@@H](C2)C3=O ZINC000587413562 EG Annotated Reactive COc1cc2c3c(c1)O[C@H]([C@@H](Br)C(C)C)[C@@H](C2)C3=O ZINC000587413564 EG Annotated Reactive COc1cc2c3c(c1)O[C@H]([C@H](Br)C(C)C)[C@@H](C2)C3=O ZINC000587413565 EG Annotated Reactive COc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413573 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413574 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(N)sc3c1CCOC3)O2 ZINC000587413615 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(N)sc3c1CCOC3)O2 ZINC000587413617 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3[nH]c(=N)sc31)O2 ZINC000587413725 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3[nH]c(=N)sc31)O2 ZINC000587413728 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3cnn(C)c3)cs1)O2 ZINC000587413848 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3cnn(C)c3)cs1)O2 ZINC000587413849 EG Annotated Anodyne CCN(C(C)=O)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587413931 EG Annotated Anodyne CCN(C(C)=O)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587414213 EG Annotated Anodyne CCOC(=O)c1csc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587414277 EG Annotated Anodyne CCOC(=O)c1csc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587414278 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)s1)O2 ZINC000587414292 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)s1)O2 ZINC000587414293 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N(C)C)nc1Cl)O2 ZINC000587414294 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N(C)C)nc1Cl)O2 ZINC000587414295 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)sc(=O)n3C)O2 ZINC000587414343 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)sc(=O)n3C)O2 ZINC000587414349 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OCCCO3)O2 ZINC000587414506 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)OCCCO3)O2 ZINC000587414510 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCCBr)[C@@H](C2)C3=O ZINC000587414529 EG Annotated Reactive COc1cc2c3c(c1)O[C@](C)(CCCBr)[C@@H](C2)C3=O ZINC000587414530 EG Annotated Reactive COc1cc2c3c(c1)O[C@](C)(C(C)(C)Br)[C@@H](C2)C3=O ZINC000587414643 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C(C)(C)Br)[C@@H](C2)C3=O ZINC000587414645 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccncn3)s1)O2 ZINC000587414716 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccncn3)s1)O2 ZINC000587414717 EG Annotated Anodyne CC[C@@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414765 EG Annotated Reactive CC[C@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414766 EG Annotated Reactive CC[C@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414769 EG Annotated Reactive CC[C@@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414771 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ncccn3)s1)O2 ZINC000587414780 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ncccn3)s1)O2 ZINC000587414782 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(CC1CC1)[C@@H](C2)C3=O ZINC000587414870 EG Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(CC1CC1)[C@@H](C2)C3=O ZINC000587414871 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3sc(=N)[nH]c31)O2 ZINC000587414881 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3sc(=N)[nH]c31)O2 ZINC000587414883 EG Annotated Anodyne COC(=O)c1coc2c1[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415004 EG Annotated Anodyne COC(=O)c1coc2c1[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415005 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1OCCCO3)O2 ZINC000587415076 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1OCCCO3)O2 ZINC000587415077 EG Annotated Anodyne C=CCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587415099 EG Annotated Mild C=CCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587415100 EG Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1scc3c1OCCO3)O2 ZINC000587415137 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1scc3c1OCCO3)O2 ZINC000587415138 EG Annotated Anodyne CCOC(=O)C[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415139 EG Annotated Anodyne CCOC(=O)C[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415140 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cnn(C)c3)s1)O2 ZINC000587415202 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cnn(C)c3)s1)O2 ZINC000587415204 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(C1CCOCC1)(C1CCOCC1)O2 ZINC000587415214 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3nccs3)CC1)O2 ZINC000587415237 EG Annotated Anodyne COCCc1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587415381 EG Annotated Anodyne COCCc1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587415382 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3nc(C)cs3)CC1)O2 ZINC000587415389 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc3sc(=N)[nH]c13)O2 ZINC000587415488 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc3sc(=N)[nH]c13)O2 ZINC000587415489 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nc3sccn13)O2 ZINC000587415490 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nc3sccn13)O2 ZINC000587415491 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(C(C)C)[C@@H](C2)C3=O ZINC000587415624 EG Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(C(C)C)[C@@H](C2)C3=O ZINC000587415625 EG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3[nH]c(=N)sc3c1)O2 ZINC000587415797 EG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3[nH]c(=N)sc3c1)O2 ZINC000587415798 EG Annotated Anodyne COc1nc2sccn2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415889 EG Annotated Anodyne COc1nc2sccn2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415893 EG Annotated Anodyne CCOc1nc2sccn2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415913 EG Annotated Anodyne CCOc1nc2sccn2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415917 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccncc1Br)[C@@H](C2)C3=O ZINC000587416686 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccncc1Br)[C@@H](C2)C3=O ZINC000587416687 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1c(C)noc1C)[C@@H](C2)C3=O ZINC000587416722 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)noc1C)[C@@H](C2)C3=O ZINC000587416723 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cccc(Br)n1)[C@@H](C2)C3=O ZINC000587416952 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Br)n1)[C@@H](C2)C3=O ZINC000587416953 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)nc1)[C@@H](C2)C3=O ZINC000587416970 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)nc1)[C@@H](C2)C3=O ZINC000587416971 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cncc(Br)c1)[C@@H](C2)C3=O ZINC000587417002 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cncc(Br)c1)[C@@H](C2)C3=O ZINC000587417003 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccnc1Br)[C@@H](C2)C3=O ZINC000587417111 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccnc1Br)[C@@H](C2)C3=O ZINC000587417112 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnc(Br)c1)[C@@H](C2)C3=O ZINC000587417560 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnc(Br)c1)[C@@H](C2)C3=O ZINC000587417562 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cn1nc(C)c(Cl)c1C)[C@@H](C2)C3=O ZINC000587417600 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cn1nc(C)c(Cl)c1C)[C@@H](C2)C3=O ZINC000587417601 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c[nH]1)[C@@H](C2)C3=O ZINC000587417718 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c[nH]1)[C@@H](C2)C3=O ZINC000587417719 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(COc1ccccc1)[C@@H](C2)C3=O ZINC000587417874 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(COc1ccccc1)[C@@H](C2)C3=O ZINC000587417881 EG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587418001 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587418002 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(Br)[nH]1)[C@@H](C2)C3=O ZINC000587418146 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)[nH]1)[C@@H](C2)C3=O ZINC000587418147 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn4cc(Cl)ccc4n1)[C@@H](C2)C3=O ZINC000587418250 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn4cc(Cl)ccc4n1)[C@@H](C2)C3=O ZINC000587418264 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C#N)cc1)[C@@H](C2)C3=O ZINC000587418302 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C#N)cc1)[C@@H](C2)C3=O ZINC000587418306 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccn1)[C@@H](C2)C3=O ZINC000587418336 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccn1)[C@@H](C2)C3=O ZINC000587418337 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418469 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418471 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(Cl)ccn1)[C@@H](C2)C3=O ZINC000587418473 EG Annotated Mild CCn1cc(Cl)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587418484 EG Annotated Anodyne CCn1cc(Cl)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587418485 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cc(Cl)ccn1)[C@@H](C2)C3=O ZINC000587418487 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)nc1Cl)[C@@H](C2)C3=O ZINC000587418508 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)nc1Cl)[C@@H](C2)C3=O ZINC000587418509 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(O)nc1C)[C@@H](C2)C3=O ZINC000587418531 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(O)nc1C)[C@@H](C2)C3=O ZINC000587418532 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418613 EG Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418619 EG Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)cc1O)[C@@H](C2)C3=O ZINC000587418632 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)cc1O)[C@@H](C2)C3=O ZINC000587418633 EG Annotated Anodyne CCc1nn(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419320 EG Annotated Anodyne CCc1nn(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419325 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1oc(C)nc1C)[C@@H](C2)C3=O ZINC000587419453 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1oc(C)nc1C)[C@@H](C2)C3=O ZINC000587419456 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc4nccn14)[C@@H](C2)C3=O ZINC000587419506 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc4nccn14)[C@@H](C2)C3=O ZINC000587419508 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cnc1OC)[C@@H](C2)C3=O ZINC000587419893 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cnc1OC)[C@@H](C2)C3=O ZINC000587419896 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419994 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419996 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](OC(C)(C)C)[C@H]1Cl)[C@@H](C2)C3=O ZINC000587420136 EG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C[C@@H](OC(C)(C)C)[C@H]1Cl)[C@@H](C2)C3=O ZINC000587420153 EG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C[C@@H](OC(C)(C)C)[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587420154 EG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C[C@H](OC(C)(C)C)[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587420156 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cnc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587420166 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587420181 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc4ccccn14)[C@@H](C2)C3=O ZINC000587420363 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)nc4ccccn14)[C@@H](C2)C3=O ZINC000587420364 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O ZINC000587420542 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H]([C@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O ZINC000587420547 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O ZINC000587420554 EG Annotated Reactive COc1cc2c3c(c1)O[C@H]([C@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O ZINC000587420555 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Cl)nnc1Cl)[C@@H](C2)C3=O ZINC000587420682 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)nnc1Cl)[C@@H](C2)C3=O ZINC000587420686 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]nc(C(F)(F)F)c1C)[C@@H](C2)C3=O ZINC000587420945 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]nc(C(F)(F)F)c1C)[C@@H](C2)C3=O ZINC000587420948 EG Annotated Anodyne CCn1ncc([C@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587420957 EG Annotated Anodyne CCn1ncc([C@@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587420962 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cn1)[C@@H](C2)C3=O ZINC000587421026 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cn1)[C@@H](C2)C3=O ZINC000587421027 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421058 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421059 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(OC)ccc1Cl)[C@@H](C2)C3=O ZINC000587421089 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(OC)ccc1Cl)[C@@H](C2)C3=O ZINC000587421091 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(Cl)cnc1Cl)[C@@H](C2)C3=O ZINC000587421106 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(Cl)cnc1Cl)[C@@H](C2)C3=O ZINC000587421107 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4[nH]c(Cl)ncc1-4)[C@@H](C2)C3=O ZINC000587421228 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4[nH]c(Cl)ncc1-4)[C@@H](C2)C3=O ZINC000587421231 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(Cl)nc41)[C@@H](C2)C3=O ZINC000587421243 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc(Cl)nc41)[C@@H](C2)C3=O ZINC000587421246 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4nc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587421260 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4nc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587421261 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(Cl)n1C)[C@@H](C2)C3=O ZINC000587421314 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(Cl)n1C)[C@@H](C2)C3=O ZINC000587421318 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421644 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421645 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1OC)[C@@H](C2)C3=O ZINC000587421742 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1OC)[C@@H](C2)C3=O ZINC000587421744 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)O)ccc1F)[C@@H](C2)C3=O ZINC000587422003 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(=O)O)ccc1F)[C@@H](C2)C3=O ZINC000587422009 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(O)c(F)c1)[C@@H](C2)C3=O ZINC000587422104 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(O)c(F)c1)[C@@H](C2)C3=O ZINC000587422106 EG Annotated Anodyne CCn1cc([C@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587422116 EG Annotated Anodyne CCn1cc([C@@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587422119 EG Annotated Anodyne CCn1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422199 EG Annotated Anodyne CCn1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422201 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)nc1)[C@@H](C2)C3=O ZINC000587422237 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)nc1)[C@@H](C2)C3=O ZINC000587422241 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587422301 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587422303 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)ccnc1Cl)[C@@H](C2)C3=O ZINC000587422446 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)ccnc1Cl)[C@@H](C2)C3=O ZINC000587422447 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(CCCl)c1C)[C@@H](C2)C3=O ZINC000587422633 EG Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(C)nn(CCCl)c1C)[C@@H](C2)C3=O ZINC000587422638 EG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccnc1OC)[C@@H](C2)C3=O ZINC000587422639 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccnc1OC)[C@@H](C2)C3=O ZINC000587422640 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)([C@H](C)O)[C@@H](C2)C3=O ZINC000587422720 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)([C@@H](C)O)[C@@H](C2)C3=O ZINC000587422721 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)([C@H](C)O)[C@@H](C2)C3=O ZINC000587422723 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)([C@@H](C)O)[C@@H](C2)C3=O ZINC000587422725 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)ccc(F)c1OC)[C@@H](C2)C3=O ZINC000587422889 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(F)c1OC)[C@@H](C2)C3=O ZINC000587422894 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1F)[C@@H](C2)C3=O ZINC000587422902 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1F)[C@@H](C2)C3=O ZINC000587422913 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(C#N)c1F)[C@@H](C2)C3=O ZINC000587422937 EG Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(F)ccc(C#N)c1F)[C@@H](C2)C3=O ZINC000587422943 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(O)cc1F)[C@@H](C2)C3=O ZINC000587423022 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(O)cc1F)[C@@H](C2)C3=O ZINC000587423025 EG Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F ZINC000587423054 EG Annotated Anodyne COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F ZINC000587423055 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(C)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587423284 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(C)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587423285 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncnc1Cl)[C@@H](C2)C3=O ZINC000587423294 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ncnc1Cl)[C@@H](C2)C3=O ZINC000587423295 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cncc4c(Cl)n[nH]c14)[C@@H](C2)C3=O ZINC000587423331 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cncc4c(Cl)n[nH]c14)[C@@H](C2)C3=O ZINC000587423332 EG Annotated Anodyne CNc1cc(Cl)ncc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423339 EG Annotated Anodyne CNc1cc(Cl)ncc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423340 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(N)c(F)c1F)[C@@H](C2)C3=O ZINC000587423387 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(N)c(F)c1F)[C@@H](C2)C3=O ZINC000587423388 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(F)c1OC)[C@@H](C2)C3=O ZINC000587423404 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4[nH]cnc(Cl)c1-4)[C@@H](C2)C3=O ZINC000587423415 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4[nH]cnc(Cl)c1-4)[C@@H](C2)C3=O ZINC000587423416 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc(F)c1OC)[C@@H](C2)C3=O ZINC000587423418 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)cc1OC)[C@@H](C2)C3=O ZINC000587423420 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)cc1OC)[C@@H](C2)C3=O ZINC000587423422 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(=O)c1ccc(F)c(C)c1)[C@@H](C2)C3=O ZINC000587423452 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc(F)c(C)c1)[C@@H](C2)C3=O ZINC000587423453 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1N(C)C)[C@@H](C2)C3=O ZINC000587423538 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1N(C)C)[C@@H](C2)C3=O ZINC000587423539 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(O)c1)[C@@H](C2)C3=O ZINC000587423691 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(O)c1)[C@@H](C2)C3=O ZINC000587423699 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCNc4nc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587423776 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCNc4nc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587423784 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4n[nH]c(Cl)c4c1)[C@@H](C2)C3=O ZINC000587423789 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4n[nH]c(Cl)c4c1)[C@@H](C2)C3=O ZINC000587423792 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cc(F)cc1OC)[C@@H](C2)C3=O ZINC000587423927 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cc(F)cc1OC)[C@@H](C2)C3=O ZINC000587423928 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587423937 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587423938 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(F)c(C#N)c(F)c1)[C@@H](C2)C3=O ZINC000587423971 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(F)c(C#N)c(F)c1)[C@@H](C2)C3=O ZINC000587423972 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccnc1N(C)C)[C@@H](C2)C3=O ZINC000587424197 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ccnc1N(C)C)[C@@H](C2)C3=O ZINC000587424199 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc(Cl)ncc1C)[C@@H](C2)C3=O ZINC000587424277 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc(Cl)ncc1C)[C@@H](C2)C3=O ZINC000587424286 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(N)c(F)c1)[C@@H](C2)C3=O ZINC000587424383 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(N)c(F)c1)[C@@H](C2)C3=O ZINC000587424386 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)nc(OC)c1)[C@@H](C2)C3=O ZINC000587424396 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)nc(OC)c1)[C@@H](C2)C3=O ZINC000587424400 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COc4ccc(Cl)cc4C1)[C@@H](C2)C3=O ZINC000587424420 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(COc4ccc(Cl)cc4C1)[C@@H](C2)C3=O ZINC000587424431 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c([N+](=O)[O-])cc1F)[C@@H](C2)C3=O ZINC000587424471 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(F)c([N+](=O)[O-])cc1F)[C@@H](C2)C3=O ZINC000587424474 EG Annotated Bother COc1cc(F)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587424565 EG Annotated Anodyne COc1cc(F)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587424566 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cc(C#N)cc1F)[C@@H](C2)C3=O ZINC000587424653 EG Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(F)cc(C#N)cc1F)[C@@H](C2)C3=O ZINC000587424654 EG Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587424657 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587424658 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(F)c1F)[C@@H](C2)C3=O ZINC000587424687 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(F)c1F)[C@@H](C2)C3=O ZINC000587424688 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587424689 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587424690 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587424723 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587424724 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587424735 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587424736 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(F)cc1F)[C@@H](C2)C3=O ZINC000587424799 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(F)cc1F)[C@@H](C2)C3=O ZINC000587424800 EG Annotated Anodyne COC(=O)c1ccc(F)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587424811 EG Annotated Anodyne COC(=O)c1ccc(F)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587424812 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])ccc1F)[C@@H](C2)C3=O ZINC000587424823 EG Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])ccc1F)[C@@H](C2)C3=O ZINC000587424824 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(F)cc1F)[C@@H](C2)C3=O ZINC000587424866 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(F)cc1F)[C@@H](C2)C3=O ZINC000587424867 EG Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1c(N)cc(F)cc1F)[C@@H](C2)C3=O ZINC000587424899 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(N)cc(F)cc1F)[C@@H](C2)C3=O ZINC000587424900 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587424911 EG Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587424912 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C2)C3=O ZINC000587424917 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C2)C3=O ZINC000587424918 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)c(OC)c1)[C@@H](C2)C3=O ZINC000587424989 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)c(OC)c1)[C@@H](C2)C3=O ZINC000587424990 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)c(OC)cc1F)[C@@H](C2)C3=O ZINC000587425007 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)c(OC)cc1F)[C@@H](C2)C3=O ZINC000587425008 EG Annotated Anodyne COC[C@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425229 EG Annotated Anodyne COC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425230 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(F)c1)[C@@H](C2)C3=O ZINC000587425452 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(F)c1)[C@@H](C2)C3=O ZINC000587425453 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O ZINC000587425485 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O ZINC000587425488 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)O)cc1F)[C@@H](C2)C3=O ZINC000587425692 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)O)cc1F)[C@@H](C2)C3=O ZINC000587425693 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cc(F)cc1OC)[C@@H](C2)C3=O ZINC000587425700 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(F)cc1OC)[C@@H](C2)C3=O ZINC000587425703 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)c(F)c1)[C@@H](C2)C3=O ZINC000587425947 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c(F)c1)[C@@H](C2)C3=O ZINC000587425948 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)ccc(F)c1F)[C@@H](C2)C3=O ZINC000587426009 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)ccc(F)c1F)[C@@H](C2)C3=O ZINC000587426010 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O ZINC000587426101 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O ZINC000587426102 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1F)[C@@H](C2)C3=O ZINC000587426109 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1F)[C@@H](C2)C3=O ZINC000587426110 EG Annotated Bother COc1cc2c3c(c1)O[C@@](CC#N)(c1cccc(C#N)c1)[C@@H](C2)C3=O ZINC000587426342 EG Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1cccc(C#N)c1)[C@@H](C2)C3=O ZINC000587426343 EG Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(OC)c4F)[C@@H](C2)C3=O ZINC000587426358 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(OC)c4F)[C@@H](C2)C3=O ZINC000587426359 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCNc4c(F)cccc41)[C@@H](C2)C3=O ZINC000587426374 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCNc4c(F)cccc41)[C@@H](C2)C3=O ZINC000587426375 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)c(OC)cc41)[C@@H](C2)C3=O ZINC000587426577 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(F)c(OC)cc41)[C@@H](C2)C3=O ZINC000587426579 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c(C#N)c1)[C@@H](C2)C3=O ZINC000587426620 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)c(C#N)c1)[C@@H](C2)C3=O ZINC000587426625 EG Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1cccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O ZINC000587426698 EG Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O ZINC000587426699 EG Annotated Bother COc1cc2c3c(c1)O[C@]1(CCc4cc(F)c(O)cc41)[C@@H](C2)C3=O ZINC000587426704 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)c(O)cc41)[C@@H](C2)C3=O ZINC000587426712 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CC(C#N)(c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587426805 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(OC)c1F)[C@@H](C2)C3=O ZINC000587426817 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)ccc(OC)c1F)[C@@H](C2)C3=O ZINC000587426818 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587426849 EG Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587426850 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1)[C@@H](C2)C3=O ZINC000587426916 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1)[C@@H](C2)C3=O ZINC000587426917 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cnn4C)cc1F)[C@@H](C2)C3=O ZINC000587427018 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cnn4C)cc1F)[C@@H](C2)C3=O ZINC000587427020 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccccc1OC)[C@@H](C2)C3=O ZINC000587427057 EG Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccccc1OC)[C@@H](C2)C3=O ZINC000587427059 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587427085 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587427086 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)=O)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427109 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(C)=O)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427111 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cc(F)cc(F)c41)[C@@H](C2)C3=O ZINC000587427133 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cc(F)cc(F)c41)[C@@H](C2)C3=O ZINC000587427139 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587427252 EG Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587427254 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccco1)[C@@H](C2)C3=O ZINC000587427300 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccco1)[C@@H](C2)C3=O ZINC000587427304 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587427371 EG Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587427373 EG Annotated Bother COc1cc2c3c(c1)O[C@]1(CCOc4c(F)cccc41)[C@@H](C2)C3=O ZINC000587427419 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(F)cccc41)[C@@H](C2)C3=O ZINC000587427421 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(C)=O)[C@@H](C2)C3=O ZINC000587427589 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NC(C)=O)[C@@H](C2)C3=O ZINC000587427590 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(c4ccc(F)cc4)C1)[C@@H](C2)C3=O ZINC000587427643 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587427649 EG Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCN(c4ccc(F)cc4)C1)[C@@H](C2)C3=O ZINC000587427650 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587427658 EG Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C(C)C)nc1)[C@@H](C2)C3=O ZINC000587427713 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C(C)C)nc1)[C@@H](C2)C3=O ZINC000587427721 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1F)[C@@H](C2)C3=O ZINC000587427826 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1F)[C@@H](C2)C3=O ZINC000587427827 EG Annotated Bother COc1cc2c3c(c1)O[C@]1(CCCC4=C1C[C@H](CC#N)O4)[C@@H](C2)C3=O ZINC000587427853 EG Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCCC4=C1C[C@H](CC#N)O4)[C@@H](C2)C3=O ZINC000587427854 EG Annotated Mild COc1cc2c3c(c1)O[C@]1(CCCC4=C1C[C@@H](CC#N)O4)[C@@H](C2)C3=O ZINC000587427855 EG Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCCC4=C1C[C@@H](CC#N)O4)[C@@H](C2)C3=O ZINC000587427856 EG Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1c(F)c[nH]c4nccc1-4)[C@@H](C2)C3=O ZINC000587427924 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(F)c[nH]c4nccc1-4)[C@@H](C2)C3=O ZINC000587427926 EG Annotated Anodyne COC(=O)c1cc(F)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428002 EG Annotated Anodyne COC(=O)c1cc(F)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428005 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCNc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428017 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCNc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428021 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(F)cc(F)cc41)[C@@H](C2)C3=O ZINC000587428078 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(F)cc(F)cc41)[C@@H](C2)C3=O ZINC000587428079 EG Annotated Anodyne CCN[C@@H](C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428246 EG Annotated Anodyne CCN[C@@H](C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428248 EG Annotated Anodyne CCN[C@H](C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428250 EG Annotated Anodyne CCN[C@H](C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428252 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O ZINC000587428263 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O ZINC000587428265 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCC#N)[C@@H](C2)C3=O ZINC000587428275 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCC#N)[C@@H](C2)C3=O ZINC000587428276 EG Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C#N)cc1)[C@@H](C2)C3=O ZINC000587428313 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C#N)cc1)[C@@H](C2)C3=O ZINC000587428316 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C#N)cc1)[C@@H](C2)C3=O ZINC000587428318 EG Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C#N)cc1)[C@@H](C2)C3=O ZINC000587428319 EG Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428354 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428355 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)ccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O ZINC000587428421 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(F)ccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O ZINC000587428423 EG Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccc(C#N)cc1OC)[C@@H](C2)C3=O ZINC000587428630 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(C#N)cc1OC)[C@@H](C2)C3=O ZINC000587428631 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587428686 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587428688 EG Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1nc4ccc(F)cc4[nH]1)[C@@H](C2)C3=O ZINC000587428736 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4ccc(F)cc4[nH]1)[C@@H](C2)C3=O ZINC000587428738 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587428739 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(F)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587428741 EG Annotated Bother COc1cc2c3c(c1)O[C@@](C)(C(=O)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428743 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C(=O)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428746 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587428769 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587428771 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587428787 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587428789 EG Annotated Bother CCN(CC)[C@@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587428890 EG Annotated Anodyne CCN(CC)[C@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587428891 EG Annotated Anodyne CCN(CC)[C@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587428892 EG Annotated Anodyne CCN(CC)[C@@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587428893 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CC#N)c1)[C@@H](C2)C3=O ZINC000587428922 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CC#N)c1)[C@@H](C2)C3=O ZINC000587428923 EG Annotated Mild COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587428932 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587428933 EG Annotated Anodyne COc1ccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587428952 EG Annotated Mild COc1ccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587428953 EG Annotated Mild COc1cc(F)c2c(c1)CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428980 EG Annotated Anodyne COc1cc(F)c2c(c1)CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428981 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCO)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429031 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCO)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429032 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587429066 EG Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587429067 EG Annotated Bother COc1cc2c3c(c1)O[C@@]1(C=COc4cc(C#N)ccc41)[C@@H](C2)C3=O ZINC000587429158 EG Annotated Mild COc1cc2c3c(c1)O[C@]1(C=COc4cc(C#N)ccc41)[C@@H](C2)C3=O ZINC000587429159 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC#N)cc1)[C@@H](C2)C3=O ZINC000587429164 EG Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC#N)cc1)[C@@H](C2)C3=O ZINC000587429165 EG Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)N(C)C)[C@@H](C2)C3=O ZINC000587429213 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)N(C)C)[C@@H](C2)C3=O ZINC000587429214 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)N(C)C)[C@@H](C2)C3=O ZINC000587429215 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)N(C)C)[C@@H](C2)C3=O ZINC000587429216 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccnc1)[C@@H](C2)C3=O ZINC000587429309 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccnc1)[C@@H](C2)C3=O ZINC000587429311 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4nccn4C)C1)[C@@H](C2)C3=O ZINC000587429319 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4nccn4C)C1)[C@@H](C2)C3=O ZINC000587429321 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4nccn4C)C1)[C@@H](C2)C3=O ZINC000587429324 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4nccn4C)C1)[C@@H](C2)C3=O ZINC000587429326 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cccc(F)c41)[C@@H](C2)C3=O ZINC000587429359 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cccc(F)c41)[C@@H](C2)C3=O ZINC000587429360 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@H](CC#N)C[C@H]41)[C@@H](C2)C3=O ZINC000587429569 EG Annotated Mild COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@@H](CC#N)C[C@@H]41)[C@@H](C2)C3=O ZINC000587429570 EG Annotated Mild COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@@H](CC#N)C[C@H]41)[C@@H](C2)C3=O ZINC000587429571 EG Annotated Mild COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@H](CC#N)C[C@@H]41)[C@@H](C2)C3=O ZINC000587429572 EG Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H](CC(C)C)CN(C)C)[C@@H](C2)C3=O ZINC000587429591 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](CC(C)C)CN(C)C)[C@@H](C2)C3=O ZINC000587429592 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](CC(C)C)CN(C)C)[C@@H](C2)C3=O ZINC000587429593 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](CC(C)C)CN(C)C)[C@@H](C2)C3=O ZINC000587429594 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(C)(C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587429640 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587429641 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587429658 EG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587429660 EG Annotated Reactive COc1cc2c3c(c1)O[C@](C(=O)Cl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429702 EG Annotated Reactive COc1cc2c3c(c1)O[C@@](C(=O)Cl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429705 EG Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCOc4c(F)ccc(F)c41)[C@@H](C2)C3=O ZINC000587429755 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(F)ccc(F)c41)[C@@H](C2)C3=O ZINC000587429757 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4nn(C)cc14)[C@@H](C2)C3=O ZINC000587429800 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4nn(C)cc14)[C@@H](C2)C3=O ZINC000587429804 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccncc4)nc1C)[C@@H](C2)C3=O ZINC000587429808 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccncc4)nc1C)[C@@H](C2)C3=O ZINC000587429810 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccn(C(C)C)n1)[C@@H](C2)C3=O ZINC000587429842 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccn(C(C)C)n1)[C@@H](C2)C3=O ZINC000587429844 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cncc(F)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587429869 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cncc(F)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587429873 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587429902 EG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587429917 EG Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(F)cc4c1OCOC4)[C@@H](C2)C3=O ZINC000587429953 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc4c1OCOC4)[C@@H](C2)C3=O ZINC000587429970 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4nn(C)cc4c1)[C@@H](C2)C3=O ZINC000587429973 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4nn(C)cc4c1)[C@@H](C2)C3=O ZINC000587429976 EG Annotated Anodyne COc1cccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587429983 EG Annotated Mild COc1cccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587429985 EG Annotated Mild CCCn1ncc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587430024 EG Annotated Anodyne CCCn1ncc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587430026 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587430028 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnn1[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587430029 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587430030 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnn1[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587430031 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(OC)c(F)cc41)[C@@H](C2)C3=O ZINC000587430159 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(OC)c(F)cc41)[C@@H](C2)C3=O ZINC000587430160 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)c4nccc(C)c14)[C@@H](C2)C3=O ZINC000587430347 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)c4nccc(C)c14)[C@@H](C2)C3=O ZINC000587430350 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1C[C@H]1CCCO1)[C@@H](C2)C3=O ZINC000587430355 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1C[C@H]1CCCO1)[C@@H](C2)C3=O ZINC000587430356 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1C[C@@H]1CCCO1)[C@@H](C2)C3=O ZINC000587430357 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1C[C@@H]1CCCO1)[C@@H](C2)C3=O ZINC000587430358 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4cncn4)c(C)c1)[C@@H](C2)C3=O ZINC000587430361 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cncn4)c(C)c1)[C@@H](C2)C3=O ZINC000587430363 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4cnn(C)c4c1)[C@@H](C2)C3=O ZINC000587430411 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4cnn(C)c4c1)[C@@H](C2)C3=O ZINC000587430412 EG Annotated Anodyne CCCCn1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587430418 EG Annotated Anodyne CCCCn1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587430420 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)nn1C)[C@@H](C2)C3=O ZINC000587430439 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)nn1C)[C@@H](C2)C3=O ZINC000587430440 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587430463 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587430464 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(N(C)C)CC(C)(C)C1)[C@@H](C2)C3=O ZINC000587430478 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(N(C)C)CC(C)(C)C1)[C@@H](C2)C3=O ZINC000587430479 EG Annotated Anodyne CC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430554 EG Annotated Anodyne CC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430555 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(CN=O)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587430626 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(CN=O)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587430630 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccccn1)[C@@H](C2)C3=O ZINC000587430642 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccccn1)[C@@H](C2)C3=O ZINC000587430643 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1C)[C@@H](C2)C3=O ZINC000587430671 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1C)[C@@H](C2)C3=O ZINC000587430672 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccn([C@@H]4CCCCO4)n1)[C@@H](C2)C3=O ZINC000587430778 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccn([C@H]4CCCCO4)n1)[C@@H](C2)C3=O ZINC000587430780 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn([C@@H]4CCCCO4)n1)[C@@H](C2)C3=O ZINC000587430782 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn([C@H]4CCCCO4)n1)[C@@H](C2)C3=O ZINC000587430785 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cnn(C)c1)[C@@H](C2)C3=O ZINC000587430840 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cnn(C)c1)[C@@H](C2)C3=O ZINC000587430841 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCNC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587431084 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCNC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587431085 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4c1cnn4C)[C@@H](C2)C3=O ZINC000587431129 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4c1cnn4C)[C@@H](C2)C3=O ZINC000587431130 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(C)C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587431180 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNC(C)C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587431183 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)cc1)[C@@H](C2)C3=O ZINC000587431207 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)cc1)[C@@H](C2)C3=O ZINC000587431209 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1Cn1cccn1)[C@@H](C2)C3=O ZINC000587431225 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Cn1cccn1)[C@@H](C2)C3=O ZINC000587431226 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccn1)[C@@H](C2)C3=O ZINC000587431322 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccn1)[C@@H](C2)C3=O ZINC000587431325 EG Annotated Anodyne CNc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] ZINC000587431380 EG Annotated Bother CNc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] ZINC000587431384 EG Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431505 EG Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431507 EG Annotated Bother COc1cc2c3c(c1)O[C@@]1(C=C(C)Oc4cc(N)ccc41)[C@@H](C2)C3=O ZINC000587431563 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)Oc4cc(N)ccc41)[C@@H](C2)C3=O ZINC000587431564 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)cn1)[C@@H](C2)C3=O ZINC000587431585 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)cn1)[C@@H](C2)C3=O ZINC000587431586 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc4ccccc4n1C)[C@@H](C2)C3=O ZINC000587431591 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4ccccc4n1C)[C@@H](C2)C3=O ZINC000587431592 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4cn(C)nc4c1)[C@@H](C2)C3=O ZINC000587431619 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4cn(C)nc4c1)[C@@H](C2)C3=O ZINC000587431620 EG Annotated Anodyne CCn1ncc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431631 EG Annotated Anodyne CCn1ncc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431632 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)nc1C(C)(C)C)[C@@H](C2)C3=O ZINC000587431703 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1C(C)(C)C)[C@@H](C2)C3=O ZINC000587431704 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nn(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431746 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nn(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431748 EG Annotated Anodyne CCn1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431750 EG Annotated Anodyne CCn1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431760 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@]4(N)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587431793 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@]4(N)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587431794 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1oc4cccnc4c1N)[C@@H](C2)C3=O ZINC000587431815 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1oc4cccnc4c1N)[C@@H](C2)C3=O ZINC000587431816 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(C)c1N)[C@@H](C2)C3=O ZINC000587431881 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(C)c1N)[C@@H](C2)C3=O ZINC000587431883 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cccc(NC(C)=O)c41)[C@@H](C2)C3=O ZINC000587431946 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cccc(NC(C)=O)c41)[C@@H](C2)C3=O ZINC000587431949 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cncn1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587431995 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cncn1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587431996 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587431997 EG Annotated Bother COc1cc2c3c(c1)O[C@]1(CCc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587431998 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccnn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587432080 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587432082 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-n4cccn4)c1)[C@@H](C2)C3=O ZINC000587432087 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-n4cccn4)c1)[C@@H](C2)C3=O ZINC000587432088 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4ccnn4C)C1)[C@@H](C2)C3=O ZINC000587432103 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4ccnn4C)C1)[C@@H](C2)C3=O ZINC000587432104 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4ccnn4C)C1)[C@@H](C2)C3=O ZINC000587432105 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4ccnn4C)C1)[C@@H](C2)C3=O ZINC000587432106 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-n4cccn4)c(C)c1)[C@@H](C2)C3=O ZINC000587432129 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-n4cccn4)c(C)c1)[C@@H](C2)C3=O ZINC000587432130 EG Annotated Anodyne CCCn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432143 EG Annotated Anodyne CCCn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432144 EG Annotated Anodyne COCCn1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432198 EG Annotated Anodyne COCCn1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432199 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nccn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587432230 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nccn1-c1ccccc1)[C@@H](C2)C3=O ZINC000587432231 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccncc1)[C@@H](C2)C3=O ZINC000587432253 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccncc1)[C@@H](C2)C3=O ZINC000587432255 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(C)on1)[C@@H](C2)C3=O ZINC000587432257 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(C)on1)[C@@H](C2)C3=O ZINC000587432259 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587432321 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587432328 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1cccnc1)[C@@H](C2)C3=O ZINC000587432342 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1Cc1cccnc1)[C@@H](C2)C3=O ZINC000587432344 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CC[N+](=O)[O-])(c1ccccc1)[C@@H](C2)C3=O ZINC000587432372 EG Annotated Bother COc1cc2c3c(c1)O[C@@](CC[N+](=O)[O-])(c1ccccc1)[C@@H](C2)C3=O ZINC000587432374 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C2)C3=O ZINC000587432440 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc(Cn4cccn4)c1)[C@@H](C2)C3=O ZINC000587432458 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Cn4cccn4)c1)[C@@H](C2)C3=O ZINC000587432460 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)cc1)[C@@H](C2)C3=O ZINC000587432464 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)cc1)[C@@H](C2)C3=O ZINC000587432466 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-n1cccn1)[C@@H](C2)C3=O ZINC000587432472 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1cccn1)[C@@H](C2)C3=O ZINC000587432473 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(N)cc(C(C)=O)c1)[C@@H](C2)C3=O ZINC000587432512 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(N)cc(C(C)=O)c1)[C@@H](C2)C3=O ZINC000587432513 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1cnn4C(C)C)[C@@H](C2)C3=O ZINC000587432545 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1cnn4C(C)C)[C@@H](C2)C3=O ZINC000587432546 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-n4ccnc4)c1)[C@@H](C2)C3=O ZINC000587432587 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-n4ccnc4)c1)[C@@H](C2)C3=O ZINC000587432588 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-n1ccnc1)[C@@H](C2)C3=O ZINC000587432617 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1ccnc1)[C@@H](C2)C3=O ZINC000587432618 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C2)C3=O ZINC000587432673 EG Annotated Bother CC[C@@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432778 EG Annotated Anodyne CC[C@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432786 EG Annotated Anodyne COc1cc2c3c(c1)OC(c1cccn1C)(c1cccn1C)[C@@H](C2)C3=O ZINC000587432800 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nccn1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587432811 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nccn1Cc1ccccc1)[C@@H](C2)C3=O ZINC000587432812 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4cnn(C)c4)C1(C)C)[C@@H](C2)C3=O ZINC000587432831 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4cnn(C)c4)C1(C)C)[C@@H](C2)C3=O ZINC000587432835 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4cnn(C)c4)C1(C)C)[C@@H](C2)C3=O ZINC000587432836 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4cnn(C)c4)C1(C)C)[C@@H](C2)C3=O ZINC000587432837 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(C)C)nn(C)c1OC)[C@@H](C2)C3=O ZINC000587432850 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(C)C)nn(C)c1OC)[C@@H](C2)C3=O ZINC000587432853 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccco4)n(C)n1)[C@@H](C2)C3=O ZINC000587432941 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccco4)n(C)n1)[C@@H](C2)C3=O ZINC000587432943 EG Annotated Anodyne CCCn1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587433141 EG Annotated Anodyne CCCn1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587433142 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(cnn4C)c1)[C@@H](C2)C3=O ZINC000587433145 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(cnn4C)c1)[C@@H](C2)C3=O ZINC000587433146 EG Annotated Anodyne CCc1nn(C)c(CC)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433177 EG Annotated Anodyne CCc1nn(C)c(CC)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433178 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(NC(C)=O)cc1C)[C@@H](C2)C3=O ZINC000587433283 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(NC(C)=O)cc1C)[C@@H](C2)C3=O ZINC000587433284 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(C)=O)c1)[C@@H](C2)C3=O ZINC000587433299 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(C)=O)c1)[C@@H](C2)C3=O ZINC000587433300 EG Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1N ZINC000587433311 EG Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1N ZINC000587433312 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587433393 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccn(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587433394 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cn4cccn4)cc1)[C@@H](C2)C3=O ZINC000587433431 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4cccn4)cc1)[C@@H](C2)C3=O ZINC000587433432 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cn1cccn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587433435 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1cccn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587433436 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn(Cc4ccccc4)n1)[C@@H](C2)C3=O ZINC000587433459 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccn(Cc4ccccc4)n1)[C@@H](C2)C3=O ZINC000587433460 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnn(C(C)C)c1C)[C@@H](C2)C3=O ZINC000587433463 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnn(C(C)C)c1C)[C@@H](C2)C3=O ZINC000587433464 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)NC4CC4)cc1)[C@@H](C2)C3=O ZINC000587433519 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)NC4CC4)cc1)[C@@H](C2)C3=O ZINC000587433520 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(NC(C)=O)ccc41)[C@@H](C2)C3=O ZINC000587433521 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(NC(C)=O)ccc41)[C@@H](C2)C3=O ZINC000587433522 EG Annotated Anodyne CCn1cc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587433534 EG Annotated Anodyne CCn1cc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587433535 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4cnn(C)c14)[C@@H](C2)C3=O ZINC000587433584 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4cnn(C)c14)[C@@H](C2)C3=O ZINC000587433586 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(Cc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587433617 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(Cc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587433618 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587433836 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587433930 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434156 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434157 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O ZINC000587434262 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O ZINC000587434263 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434272 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434275 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434402 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434403 EG Annotated Bother COc1cc2c3c(c1)O[C@@]1(CCc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587434490 EG Annotated Bother COc1cc2c3c(c1)O[C@]1(CCc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587434491 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434506 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434507 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434508 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434509 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O ZINC000587434514 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O ZINC000587434515 EG Annotated Bother CCC(CC)N1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434537 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434643 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434644 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc(C)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434651 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc(C)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434652 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1OC)[C@@H](C2)C3=O ZINC000587434678 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1OC)[C@@H](C2)C3=O ZINC000587434679 EG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434686 EG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434687 EG Annotated Bother CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587434732 EG Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587434733 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4nnco4)cc1)[C@@H](C2)C3=O ZINC000587434888 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nnco4)cc1)[C@@H](C2)C3=O ZINC000587434894 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4ccccc4nc1C)[C@@H](C2)C3=O ZINC000587435000 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4nc1C)[C@@H](C2)C3=O ZINC000587435003 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[C@@H]1CCCN1C)[C@@H](C2)C3=O ZINC000587435066 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[C@@H]1CCCN1C)[C@@H](C2)C3=O ZINC000587435067 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[C@H]1CCCN1C)[C@@H](C2)C3=O ZINC000587435068 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[C@H]1CCCN1C)[C@@H](C2)C3=O ZINC000587435069 EG Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(C)ccc21 ZINC000587435111 EG Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(C)ccc21 ZINC000587435112 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ncccn1)[C@@H](C2)C3=O ZINC000587435179 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ncccn1)[C@@H](C2)C3=O ZINC000587435180 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC)nc1C)[C@@H](C2)C3=O ZINC000587435189 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC)nc1C)[C@@H](C2)C3=O ZINC000587435196 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)ccc4cccnc14)[C@@H](C2)C3=O ZINC000587435270 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4cccnc14)[C@@H](C2)C3=O ZINC000587435281 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cccnc4c1O)[C@@H](C2)C3=O ZINC000587435319 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cccnc4c1O)[C@@H](C2)C3=O ZINC000587435321 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4cccnc4c1)[C@@H](C2)C3=O ZINC000587435337 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4cccnc4c1)[C@@H](C2)C3=O ZINC000587435338 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccco4)nc1)[C@@H](C2)C3=O ZINC000587435364 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccco4)nc1)[C@@H](C2)C3=O ZINC000587435366 EG Annotated Anodyne CCCOc1ncccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435423 EG Annotated Anodyne CCCOc1ncccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435424 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ncco1)[C@@H](C2)C3=O ZINC000587435614 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ncco1)[C@@H](C2)C3=O ZINC000587435616 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cncnc1)[C@@H](C2)C3=O ZINC000587435908 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cncnc1)[C@@H](C2)C3=O ZINC000587435909 EG Annotated Anodyne COc1cc2c3c(c1)OC1(c4cccnc4-c4ncccc41)[C@@H](C2)C3=O ZINC000587435951 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccncn1)[C@@H](C2)C3=O ZINC000587435956 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccncn1)[C@@H](C2)C3=O ZINC000587435957 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1c1cncnc1)[C@@H](C2)C3=O ZINC000587435959 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1c1cncnc1)[C@@H](C2)C3=O ZINC000587435960 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1c1cncnc1)[C@@H](C2)C3=O ZINC000587435961 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1c1cncnc1)[C@@H](C2)C3=O ZINC000587435963 EG Annotated Anodyne CCc1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12 ZINC000587436034 EG Annotated Anodyne CCc1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12 ZINC000587436035 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(O)c4ccccc14)[C@@H](C2)C3=O ZINC000587436036 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(O)c4ccccc14)[C@@H](C2)C3=O ZINC000587436037 EG Annotated Anodyne COc1cc2c3c(c1)OC1(c4ncccc4-c4cccnc41)[C@@H](C2)C3=O ZINC000587436089 EG Annotated Anodyne C=C1C=C(C)n2ncc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2N1 ZINC000587436099 EG Annotated Anodyne C=C1C=C(C)n2ncc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2N1 ZINC000587436103 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587436120 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccncc1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587436121 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O ZINC000587436231 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O ZINC000587436232 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)C)nc1)[C@@H](C2)C3=O ZINC000587436239 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)C)nc1)[C@@H](C2)C3=O ZINC000587436240 EG Annotated Anodyne COc1cc2c3c(c1)OC(c1ccccn1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587436277 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1O)[C@@H](C2)C3=O ZINC000587436379 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1O)[C@@H](C2)C3=O ZINC000587436380 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587436409 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587436410 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436425 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436426 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O ZINC000587436502 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O ZINC000587436504 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4ccccc4n1)[C@@H](C2)C3=O ZINC000587436515 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4ccccc4n1)[C@@H](C2)C3=O ZINC000587436516 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4cc(C)nn4c1C)[C@@H](C2)C3=O ZINC000587436529 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4cc(C)nn4c1C)[C@@H](C2)C3=O ZINC000587436530 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cn4cc(C)ccc4n1)[C@@H](C2)C3=O ZINC000587436559 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cn4cc(C)ccc4n1)[C@@H](C2)C3=O ZINC000587436560 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587436599 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587436600 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1cnc(OC)cc1C)[C@@H](C2)C3=O ZINC000587436606 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1cnc(OC)cc1C)[C@@H](C2)C3=O ZINC000587436607 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccnc1OC(C)C)[C@@H](C2)C3=O ZINC000587436648 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccnc1OC(C)C)[C@@H](C2)C3=O ZINC000587436649 EG Annotated Anodyne COc1cc2c3c(c1)OC(c1cccnc1)(c1cccnc1)[C@@H](C2)C3=O ZINC000587436725 EG Annotated Anodyne C=C1C=C(C)n2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc2N1 ZINC000587436726 EG Annotated Anodyne C=C1C=C(C)n2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc2N1 ZINC000587436737 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cccc(O)c4n1)[C@@H](C2)C3=O ZINC000587436791 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cccc(O)c4n1)[C@@H](C2)C3=O ZINC000587436793 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O ZINC000587436827 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C[C@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O ZINC000587436828 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C[C@@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O ZINC000587436829 EG Annotated Mild COc1cc2c3c(c1)O[C@](C[C@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O ZINC000587436831 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](CCc1ccc(OC)nc1C)[C@@H](C2)C3=O ZINC000587436927 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccc(OC)nc1C)[C@@H](C2)C3=O ZINC000587436928 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nc4ccc(C)cn14)[C@@H](C2)C3=O ZINC000587436945 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nc4ccc(C)cn14)[C@@H](C2)C3=O ZINC000587436946 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nc4cc(C)ccn14)[C@@H](C2)C3=O ZINC000587436985 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nc4cc(C)ccn14)[C@@H](C2)C3=O ZINC000587436987 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587436989 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ccccn1)[C@@H](C2)C3=O ZINC000587436991 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C)cnc1OC)[C@@H](C2)C3=O ZINC000587437011 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cnc1OC)[C@@H](C2)C3=O ZINC000587437013 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccn4)nc1)[C@@H](C2)C3=O ZINC000587437062 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccn4)nc1)[C@@H](C2)C3=O ZINC000587437064 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ncon4)cc1)[C@@H](C2)C3=O ZINC000587437123 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ncon4)cc1)[C@@H](C2)C3=O ZINC000587437125 EG Annotated Anodyne COc1cc2c3c(c1)OC(c1ccncc1)(c1ccncc1)[C@@H](C2)C3=O ZINC000587437353 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)ccc4ncccc14)[C@@H](C2)C3=O ZINC000587437393 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4ncccc14)[C@@H](C2)C3=O ZINC000587437396 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4nc(OC)ccc4[nH]1)[C@@H](C2)C3=O ZINC000587437542 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4nc(OC)ccc4[nH]1)[C@@H](C2)C3=O ZINC000587437544 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O ZINC000587437553 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O ZINC000587437555 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C[C@H]1C)[C@@H](C2)C3=O ZINC000587437601 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C[C@H]1C)[C@@H](C2)C3=O ZINC000587437603 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C[C@@H]1C)[C@@H](C2)C3=O ZINC000587437605 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C[C@@H]1C)[C@@H](C2)C3=O ZINC000587437606 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(CC=C(C)C)CC1)[C@@H](C2)C3=O ZINC000587437621 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccnc(OC)c14)[C@@H](C2)C3=O ZINC000587437651 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccnc(OC)c14)[C@@H](C2)C3=O ZINC000587437652 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cc4ccc[nH]4)[nH]1)[C@@H](C2)C3=O ZINC000587437821 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cc4ccc[nH]4)[nH]1)[C@@H](C2)C3=O ZINC000587437825 EG Annotated Anodyne CCC[C@@H](C)OC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437881 EG Annotated Anodyne CCC[C@H](C)OC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437882 EG Annotated Anodyne CCC[C@@H](C)OC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437883 EG Annotated Anodyne CCC[C@H](C)OC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437884 EG Annotated Anodyne CCC[C@@]1(c2c(C)n[nH]c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438081 EG Annotated Anodyne CCC[C@]1(c2c(C)n[nH]c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438084 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(C)=O)c1)[C@@H](C2)C3=O ZINC000587438244 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCC(C)=O)c1)[C@@H](C2)C3=O ZINC000587438246 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438334 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438335 EG Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438336 EG Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438337 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C4CCCC4)CC1)[C@@H](C2)C3=O ZINC000587438350 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(CCC(C)C)CC1)[C@@H](C2)C3=O ZINC000587438400 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(C(C)C)cc41)[C@@H](C2)C3=O ZINC000587438585 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(C(C)C)cc41)[C@@H](C2)C3=O ZINC000587438586 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4cn(C)nc14)[C@@H](C2)C3=O ZINC000587438637 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4cn(C)nc14)[C@@H](C2)C3=O ZINC000587438639 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCCCN1)[C@@H](C2)C3=O ZINC000587438668 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCCCN1)[C@@H](C2)C3=O ZINC000587438671 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCCCN1)[C@@H](C2)C3=O ZINC000587438673 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCCCN1)[C@@H](C2)C3=O ZINC000587438676 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ncon4)c1)[C@@H](C2)C3=O ZINC000587438810 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ncon4)c1)[C@@H](C2)C3=O ZINC000587438811 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438853 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438854 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438856 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438857 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc(C(=O)O)c14)[C@@H](C2)C3=O ZINC000587438930 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc(C(=O)O)c14)[C@@H](C2)C3=O ZINC000587438931 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c(O)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587438957 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c(O)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587438958 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(Cc4ccco4)CC1)[C@@H](C2)C3=O ZINC000587438959 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587438973 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587438974 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C)N(Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587438988 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)N(Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587438989 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)N(Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587438991 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](C)N(Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587438994 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(c4nc(C)no4)CC1)[C@@H](C2)C3=O ZINC000587439055 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(C(=O)O)c1C)[C@@H](C2)C3=O ZINC000587439059 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C)[C@@H](C2)C3=O ZINC000587439063 EG Annotated Anodyne COc1ccc2c(c1)NCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439138 EG Annotated Anodyne COc1ccc2c(c1)NCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439142 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1n[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587439153 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1n[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587439154 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587439297 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587439302 EG Annotated Anodyne CCOC(=O)C1([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCC1 ZINC000587439356 EG Annotated Anodyne CCOC(=O)C1([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCC1 ZINC000587439358 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4CCC4=O)c1)[C@@H](C2)C3=O ZINC000587439496 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4CCC4=O)c1)[C@@H](C2)C3=O ZINC000587439499 EG Annotated Anodyne CCOC(=O)CC1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439523 EG Annotated Anodyne CCCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587439698 EG Annotated Anodyne CCCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587439699 EG Annotated Anodyne COCCOc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439759 EG Annotated Anodyne COCCOc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439760 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C1 ZINC000587439783 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C1 ZINC000587439784 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C)C1 ZINC000587439785 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C)C1 ZINC000587439786 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587439852 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CC(C)(C)N(C)C(C)(C)C1)[C@@H](C2)C3=O ZINC000587439880 EG Annotated Anodyne CCOC(=O)[C@]1(CC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439932 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cnoc1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587439934 EG Annotated Anodyne CCOC(=O)[C@@]1(CC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439936 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C)N[C@@H]4CCCC[C@H]41)[C@@H](C2)C3=O ZINC000587439937 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cnoc1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587439940 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)N[C@@H]4CCCC[C@H]41)[C@@H](C2)C3=O ZINC000587439941 EG Annotated Anodyne COCCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587439956 EG Annotated Anodyne COCCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587439958 EG Annotated Anodyne C#CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440000 EG Annotated Mild C#CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440002 EG Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)(C1CCNCC1)[C@@H](C2)C3=O ZINC000587440063 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1[nH]c(C)c(C(=O)O)c1C)[C@@H](C2)C3=O ZINC000587440067 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1[nH]c(C)c(C(=O)O)c1C)[C@@H](C2)C3=O ZINC000587440068 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(C1CCNCC1)[C@@H](C2)C3=O ZINC000587440080 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccccc1O)[C@@H](C2)C3=O ZINC000587440127 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccccc1O)[C@@H](C2)C3=O ZINC000587440128 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccccc1O)[C@@H](C2)C3=O ZINC000587440129 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccccc1O)[C@@H](C2)C3=O ZINC000587440130 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4n[nH]c(C)c41)[C@@H](C2)C3=O ZINC000587440134 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4n[nH]c(C)c41)[C@@H](C2)C3=O ZINC000587440135 EG Annotated Anodyne CC[C@]1(c2ccc(O)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440148 EG Annotated Anodyne CC[C@@]1(c2ccc(O)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440160 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@H](C)O)[C@@H](C2)C3=O ZINC000587440181 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@@H](C)O)[C@@H](C2)C3=O ZINC000587440182 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@@H](C)O)[C@@H](C2)C3=O ZINC000587440183 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@H](C)O)[C@@H](C2)C3=O ZINC000587440184 EG Annotated Anodyne CCC(=O)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440198 EG Annotated Anodyne CCC(=O)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440199 EG Annotated Anodyne COc1cc(OC)cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440230 EG Annotated Anodyne COc1cc(OC)cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440232 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440233 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H](C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440235 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H](C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440236 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440237 EG Annotated Anodyne CCC[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440240 EG Annotated Anodyne CCC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440241 EG Annotated Anodyne CCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440243 EG Annotated Anodyne CCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440245 EG Annotated Anodyne CCOC(=O)C1(C)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440263 EG Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440272 EG Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440273 EG Annotated Anodyne CCOC(=O)[C@@H](C(C)C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440274 EG Annotated Anodyne CCOC(=O)[C@@H](C(C)C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440275 EG Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440282 EG Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440283 EG Annotated Anodyne CCOC(=O)[C@@H](CC)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440284 EG Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440285 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)OCCC(C)C)[C@@H](C2)C3=O ZINC000587440338 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)OCCC(C)C)[C@@H](C2)C3=O ZINC000587440339 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(c4ccccc4)C(=O)C1)[C@@H](C2)C3=O ZINC000587440420 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(c4ccccc4)C(=O)C1)[C@@H](C2)C3=O ZINC000587440421 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnc(N4CCCC4)c1)[C@@H](C2)C3=O ZINC000587440499 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnc(N4CCCC4)c1)[C@@H](C2)C3=O ZINC000587440500 EG Annotated Anodyne CCCCC[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440726 EG Annotated Anodyne CCCCC[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440728 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC(=O)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587440742 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC(=O)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587440747 EG Annotated Anodyne CCOC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440781 EG Annotated Anodyne CCOC(=O)[C@@H]1CCCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440784 EG Annotated Anodyne CCOC(=O)[C@H]1CCCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440788 EG Annotated Anodyne CCOC(=O)[C@H]1CCCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440791 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4[nH]nc(OC)c4c1)[C@@H](C2)C3=O ZINC000587440848 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4[nH]nc(OC)c4c1)[C@@H](C2)C3=O ZINC000587440851 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587440865 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587440869 EG Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440899 EG Annotated Anodyne CCOc1ccc(C(=O)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440900 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCN(C4CCCC4)C1)[C@@H](C2)C3=O ZINC000587440975 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCN(C4CCCC4)C1)[C@@H](C2)C3=O ZINC000587440976 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)OCCN4C)[C@@H](C2)C3=O ZINC000587441012 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)OCCN4C)[C@@H](C2)C3=O ZINC000587441015 EG Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CCC[C@H]1CN(C1CC1)C4)[C@@H](C2)C3=O ZINC000587441017 EG Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CCC[C@H]1CN(C(C)C)C4)[C@@H](C2)C3=O ZINC000587441076 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587441079 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587441083 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CNCC4)[C@@H](C2)C3=O ZINC000587441123 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CNCC4)[C@@H](C2)C3=O ZINC000587441138 EG Annotated Anodyne CC/C=C/CCOC(=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441162 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O ZINC000587441168 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O ZINC000587441170 EG Annotated Anodyne CC/C=C\CCOC(=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441172 EG Annotated Anodyne CC/C=C/CCOC(=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441174 EG Annotated Anodyne CC/C=C\CCOC(=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441176 EG Annotated Anodyne CC[C@@]1([C@H](C(=O)OC)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441208 EG Annotated Anodyne CC[C@]1([C@H](C(=O)OC)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441210 EG Annotated Anodyne CC[C@]1([C@@H](C(=O)OC)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441212 EG Annotated Anodyne CC[C@@]1([C@@H](C(=O)OC)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441214 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O ZINC000587441259 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O ZINC000587441262 EG Annotated Anodyne CCOC(=O)C[C@]1([C@H](C)CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441273 EG Annotated Anodyne CCOC(=O)C[C@]1([C@@H](C)CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441276 EG Annotated Anodyne CCOC(=O)C[C@@]1([C@H](C)CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441279 EG Annotated Anodyne CCOC(=O)C[C@@]1([C@@H](C)CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441283 EG Annotated Anodyne CCc1cc(OC)c(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441330 EG Annotated Anodyne CCc1cc(OC)c(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441332 EG Annotated Anodyne COc1cc(OC)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441362 EG Annotated Anodyne COc1cc(OC)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441365 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cccc(OC)c4C1)[C@@H](C2)C3=O ZINC000587441485 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)nc1)[C@@H](C2)C3=O ZINC000587441487 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)nc1)[C@@H](C2)C3=O ZINC000587441488 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cccc(OC)c4C1)[C@@H](C2)C3=O ZINC000587441494 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(C[C@H]1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441515 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441517 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441520 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(C[C@@H]1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441523 EG Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587441638 EG Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587441642 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587441679 EG Annotated Anodyne CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587441681 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587441683 EG Annotated Anodyne CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587441684 EG Annotated Anodyne CCOc1cc(O)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441731 EG Annotated Anodyne CCOc1cc(O)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441735 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(O)ccc1OC)[C@@H](C2)C3=O ZINC000587441744 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(O)ccc1OC)[C@@H](C2)C3=O ZINC000587441747 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)o1)[C@@H](C2)C3=O ZINC000587441777 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)o1)[C@@H](C2)C3=O ZINC000587441780 EG Annotated Anodyne CCOc1ccc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441799 EG Annotated Anodyne CCOc1ccc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441800 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCNc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587441871 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCNc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587441872 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(C)o1)[C@@H](C2)C3=O ZINC000587441917 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C)o1)[C@@H](C2)C3=O ZINC000587441918 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(COc1cccc(C=O)c1)[C@@H](C2)C3=O ZINC000587441919 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(COc1cccc(C=O)c1)[C@@H](C2)C3=O ZINC000587441920 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 ZINC000587441972 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 ZINC000587441973 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 ZINC000587441974 EG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 ZINC000587441975 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587442029 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587442032 EG Annotated Anodyne CCOC(=O)C[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442034 EG Annotated Anodyne CCOC(=O)C[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442037 EG Annotated Anodyne CCCC[C@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442074 EG Annotated Anodyne CCCC[C@@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442077 EG Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442080 EG Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442084 EG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442088 EG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442091 EG Annotated Anodyne CCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1O ZINC000587442152 EG Annotated Anodyne CCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1O ZINC000587442155 EG Annotated Anodyne CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CO ZINC000587442165 EG Annotated Anodyne CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CO ZINC000587442174 EG Annotated Anodyne CCOC(=O)[C@]1(C2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442177 EG Annotated Anodyne CCOC(=O)[C@@]1(C2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442181 EG Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442194 EG Annotated Anodyne CCOC(=O)C[C@]1(CC2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442196 EG Annotated Anodyne CCOC(=O)C[C@@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442210 EG Annotated Anodyne CCOC(=O)C[C@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442214 EG Annotated Anodyne CCOC(=O)C[C@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442217 EG Annotated Anodyne CCOC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442221 EG Annotated Anodyne COC(=O)[C@H]1CCC(C)(C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442260 EG Annotated Anodyne COC(=O)[C@H]1CCC(C)(C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442262 EG Annotated Anodyne COC(=O)[C@@H]1CCC(C)(C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442265 EG Annotated Anodyne COC(=O)[C@@H]1CCC(C)(C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442266 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587442269 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587442271 EG Annotated Anodyne COC(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442279 EG Annotated Anodyne COC(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442290 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(cccc4OC)C1)[C@@H](C2)C3=O ZINC000587442328 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(cccc4OC)C1)[C@@H](C2)C3=O ZINC000587442330 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587442495 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587442496 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(C)C)([C@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587442511 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(C)C)([C@@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587442512 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(C)C)([C@@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587442513 EG Annotated Anodyne CCC[C@]1([C@H](C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442537 EG Annotated Anodyne CCC[C@]1([C@@H](C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442538 EG Annotated Anodyne CCC[C@@]1([C@H](C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442539 EG Annotated Anodyne CCC[C@@]1([C@@H](C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442540 EG Annotated Anodyne COC1=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2C1=O ZINC000587442721 EG Annotated Mild COC1=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2C1=O ZINC000587442729 EG Annotated Mild COc1ccc2c(c1)C[C@@]1(CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442745 EG Annotated Anodyne COc1ccc2c(c1)C[C@]1(CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442747 EG Annotated Anodyne COCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587442775 EG Annotated Anodyne COCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587442776 EG Annotated Anodyne COC(=O)c1cc(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587442799 EG Annotated Anodyne COC(=O)c1cc(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587442801 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(C)C)([C@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587442805 EG Annotated Anodyne CCCCOC(=O)CC[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443023 EG Annotated Anodyne CCCCOC(=O)CC[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443024 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(C)=O)c1)[C@@H](C2)C3=O ZINC000587443027 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(C)=O)c1)[C@@H](C2)C3=O ZINC000587443029 EG Annotated Anodyne COCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443052 EG Annotated Anodyne COCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443053 EG Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CC[C@H]1CN(C(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587443102 EG Annotated Anodyne COC1=CC(=O)c2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443187 EG Annotated Mild COC1=CC(=O)c2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443188 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(O)c1)[C@@H](C2)C3=O ZINC000587443273 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(O)c1)[C@@H](C2)C3=O ZINC000587443275 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OC)[C@@H](C2)C3=O ZINC000587443370 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OC)[C@@H](C2)C3=O ZINC000587443371 EG Annotated Anodyne CCCCCOC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443451 EG Annotated Anodyne CCCCCOC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443453 EG Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587443661 EG Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587443670 EG Annotated Anodyne CCOC(=O)C[C@]1(C2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444103 EG Annotated Anodyne CCOC(=O)C[C@@]1(C2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444105 EG Annotated Anodyne CCCCOC(=O)[C@@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444119 EG Annotated Anodyne CCCCOC(=O)[C@@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444123 EG Annotated Anodyne CCCCOC(=O)[C@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444126 EG Annotated Anodyne CCCCOC(=O)[C@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444128 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587444261 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587444265 EG Annotated Anodyne COCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444311 EG Annotated Anodyne COCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444327 EG Annotated Anodyne CCOC(=O)C[C@@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444488 EG Annotated Anodyne CCOC(=O)C[C@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444489 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587444549 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587444550 EG Annotated Anodyne COC(=O)c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444752 EG Annotated Anodyne COC(=O)c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444754 EG Annotated Anodyne COCc1ccc(OC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444760 EG Annotated Anodyne COCc1ccc(OC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444762 EG Annotated Anodyne CCC[C@]1([C@@H](CC)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444764 EG Annotated Anodyne CCC[C@@]1([C@@H](CC)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444766 EG Annotated Anodyne CCC[C@@]1([C@H](CC)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444768 EG Annotated Anodyne CCC[C@]1([C@H](CC)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444770 EG Annotated Anodyne COc1ccc(COC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444850 EG Annotated Anodyne COc1ccc(COC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444852 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587444956 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587444957 EG Annotated Anodyne COc1ccc2c(c1)CC[C@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445037 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445038 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587445180 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587445183 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(OC)cccc1OC)[C@@H](C2)C3=O ZINC000587445393 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(OC)cccc1OC)[C@@H](C2)C3=O ZINC000587445395 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 ZINC000587445416 EG Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 ZINC000587445418 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cccc1OC)[C@@H](C2)C3=O ZINC000587445436 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cccc1OC)[C@@H](C2)C3=O ZINC000587445437 EG Annotated Anodyne COCOc1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445448 EG Annotated Anodyne COCOc1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445450 EG Annotated Anodyne C/C=C/CC[C@]1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445460 EG Annotated Anodyne C/C=C/CC[C@@]1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445462 EG Annotated Anodyne C/C=C\CC[C@]1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445464 EG Annotated Anodyne C/C=C\CC[C@@]1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445466 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587446297 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587446299 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H]4CC[C@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587446300 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587446301 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587446302 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H]4CC[C@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587446303 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)CCCCC(=O)O)[C@@H](C2)C3=O ZINC000587446321 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)CCCCC(=O)O)[C@@H](C2)C3=O ZINC000587446322 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)CCCCC(=O)O)[C@@H](C2)C3=O ZINC000587446323 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)CCCCC(=O)O)[C@@H](C2)C3=O ZINC000587446324 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(CCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587446812 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(CCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587446813 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@]4(C)CC(=O)C[C@@]4(C)C1)[C@@H](C2)C3=O ZINC000587447010 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@]4(C)CC(=O)C[C@@]4(C)C1)[C@@H](C2)C3=O ZINC000587447011 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)[C@@H](C2)C3=O ZINC000587447129 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)[C@@H](C2)C3=O ZINC000587447130 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447139 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447140 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC1CCCCC1)(C(=O)O)[C@@H](C2)C3=O ZINC000587447349 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CC1CCCCC1)(C(=O)O)[C@@H](C2)C3=O ZINC000587447350 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C)CC[C@@H]1C4(C)C)[C@@H](C2)C3=O ZINC000587447465 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@]4(C)CC[C@H]1C4(C)C)[C@@H](C2)C3=O ZINC000587447467 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@]4(C)CC[C@H]1C4(C)C)[C@@H](C2)C3=O ZINC000587447468 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C)CC[C@@H]1C4(C)C)[C@@H](C2)C3=O ZINC000587447471 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C)CC[C@H]1C4(C)C)[C@@H](C2)C3=O ZINC000587447472 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C)CC[C@H]1C4(C)C)[C@@H](C2)C3=O ZINC000587447473 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1CCC(=O)O)[C@@H](C2)C3=O ZINC000587447956 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1CCC(=O)O)[C@@H](C2)C3=O ZINC000587447957 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1CCC(=O)O)[C@@H](C2)C3=O ZINC000587447959 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1CCC(=O)O)[C@@H](C2)C3=O ZINC000587447960 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587448271 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587448272 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587448273 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587448274 EG Annotated Anodyne CC[C@]1(c2ccc(C(=O)O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448547 EG Annotated Anodyne CC[C@@]1(c2ccc(C(=O)O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448548 EG Annotated Anodyne CCOCc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587448658 EG Annotated Anodyne CCOCc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587448659 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccs1)[C@@H](C2)C3=O ZINC000587448724 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccs1)[C@@H](C2)C3=O ZINC000587448727 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccs1)[C@@H](C2)C3=O ZINC000587448728 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccs1)[C@@H](C2)C3=O ZINC000587448729 EG Annotated Anodyne COc1cc2c3c(c1)OC1(CCC4(CC1)CC(C(=O)O)C4)[C@@H](C2)C3=O ZINC000587448781 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@](C)(O)C[C@@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O ZINC000587448788 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@](C)(O)C[C@@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O ZINC000587448789 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@](C)(O)C[C@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O ZINC000587448790 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@](C)(O)C[C@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O ZINC000587448792 EG Annotated Anodyne CCCSc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587448969 EG Annotated Anodyne CCCSc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587448971 EG Annotated Anodyne COC(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587448997 EG Annotated Anodyne COC(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587448999 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(CC#N)s1)[C@@H](C2)C3=O ZINC000587449029 EG Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(CC#N)s1)[C@@H](C2)C3=O ZINC000587449032 EG Annotated Mild COc1cc2c3c(c1)O[C@@](CCl)(CCSC(C)=O)[C@@H](C2)C3=O ZINC000587449036 EG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(CCSC(C)=O)[C@@H](C2)C3=O ZINC000587449038 EG Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(C#N)c(SC)n1)[C@@H](C2)C3=O ZINC000587449055 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(C#N)c(SC)n1)[C@@H](C2)C3=O ZINC000587449057 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1c(C)nc(C)nc1S)[C@@H](C2)C3=O ZINC000587449065 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nc(C)nc1S)[C@@H](C2)C3=O ZINC000587449066 EG Annotated Anodyne COC(=O)c1csc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587449116 EG Annotated Anodyne COC(=O)c1csc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587449119 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4CCO[C@H]4C14CCCC4)[C@@H](C2)C3=O ZINC000587449308 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4CCO[C@H]4C14CCCC4)[C@@H](C2)C3=O ZINC000587449311 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2 ZINC000587449411 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2 ZINC000587449419 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(/C=C/C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587449485 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(/C=C/C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587449488 EG Annotated Anodyne COc1ccc2c(c1)OCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449505 EG Annotated Anodyne COc1ccc2c(c1)OCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449510 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCOC1)[C@@H](C2)C3=O ZINC000587449601 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nc4c(s1)CCC4)[C@@H](C2)C3=O ZINC000587449620 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nc4c(s1)CCC4)[C@@H](C2)C3=O ZINC000587449624 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc([S@](C)=O)cc1)[C@@H](C2)C3=O ZINC000587449632 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc([S@](C)=O)cc1)[C@@H](C2)C3=O ZINC000587449641 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc([S@@](C)=O)cc1)[C@@H](C2)C3=O ZINC000587449643 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc([S@@](C)=O)cc1)[C@@H](C2)C3=O ZINC000587449645 EG Annotated Anodyne CCN(CC)c1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587449674 EG Annotated Anodyne CCN(CC)c1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587449676 EG Annotated Anodyne CCSc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587449866 EG Annotated Anodyne CCSc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587449867 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(=O)O)c(C)cc1C)[C@@H](C2)C3=O ZINC000587449901 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)O)c(C)cc1C)[C@@H](C2)C3=O ZINC000587449902 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCOC1)[C@@H](C2)C3=O ZINC000587449958 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCOC1)[C@@H](C2)C3=O ZINC000587449959 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCOC1)[C@@H](C2)C3=O ZINC000587449961 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1coc4ccccc4c1=O)[C@@H](C2)C3=O ZINC000587450079 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1coc4ccccc4c1=O)[C@@H](C2)C3=O ZINC000587450080 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCc1ccc4c(c1)CCO4)[C@@H](C2)C3=O ZINC000587450147 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCCC4)s1)[C@@H](C2)C3=O ZINC000587450149 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccc4c(c1)CCO4)[C@@H](C2)C3=O ZINC000587450150 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587450152 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4ccc(OC)cc41)[C@@H](C2)C3=O ZINC000587450154 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCCC4)s1)[C@@H](C2)C3=O ZINC000587450157 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(NC(C)=O)s1)[C@@H](C2)C3=O ZINC000587450169 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(NC(C)=O)s1)[C@@H](C2)C3=O ZINC000587450175 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ncc[nH]1)(c1cccs1)[C@@H](C2)C3=O ZINC000587450204 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ncc[nH]1)(c1cccs1)[C@@H](C2)C3=O ZINC000587450210 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]([C@@H]4CCOC4)C1)[C@@H](C2)C3=O ZINC000587450233 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H]([C@H]4CCOC4)C1)[C@@H](C2)C3=O ZINC000587450241 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H]([C@@H]4CCOC4)C1)[C@@H](C2)C3=O ZINC000587450244 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]([C@H]4CCOC4)C1)[C@@H](C2)C3=O ZINC000587450248 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1scc4c1OCCO4)[C@@H](C2)C3=O ZINC000587450298 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1scc4c1OCCO4)[C@@H](C2)C3=O ZINC000587450300 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(C(=O)O)cc1C)[C@@H](C2)C3=O ZINC000587450398 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(C(=O)O)cc1C)[C@@H](C2)C3=O ZINC000587450400 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)nc4sccn14)[C@@H](C2)C3=O ZINC000587450581 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nc4sccn14)[C@@H](C2)C3=O ZINC000587450583 EG Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CCC[C@H]1CC(C(=O)O)C4)[C@@H](C2)C3=O ZINC000587450644 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4nc(Cl)sc4C1)[C@@H](C2)C3=O ZINC000587450653 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4nc(Cl)sc4C1)[C@@H](C2)C3=O ZINC000587450655 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587450724 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587450725 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1scc4c1OCCO4)[C@@H](C2)C3=O ZINC000587450762 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1scc4c1OCCO4)[C@@H](C2)C3=O ZINC000587450763 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CC1CCC4(CC1)OCCO4)[C@@H](C2)C3=O ZINC000587450812 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](CC1CCC4(CC1)OCCO4)[C@@H](C2)C3=O ZINC000587450815 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc5c(c41)CCO5)[C@@H](C2)C3=O ZINC000587450840 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc5c(c41)CCO5)[C@@H](C2)C3=O ZINC000587450843 EG Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587450919 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587450920 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(CN(C)C)cs1)[C@@H](C2)C3=O ZINC000587451020 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(CN(C)C)cs1)[C@@H](C2)C3=O ZINC000587451021 EG Annotated Anodyne COC(=O)c1ccsc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451126 EG Annotated Anodyne COC(=O)c1ccsc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451128 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1/C=C/C(=O)O)[C@@H](C2)C3=O ZINC000587451193 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1/C=C/C(=O)O)[C@@H](C2)C3=O ZINC000587451194 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1nccs1)[C@@H](C2)C3=O ZINC000587451275 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1nccs1)[C@@H](C2)C3=O ZINC000587451276 EG Annotated Anodyne CCOC(=O)c1ccsc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451663 EG Annotated Anodyne CCOC(=O)c1ccsc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451664 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C#CC(C)(C)O)cc1)[C@@H](C2)C3=O ZINC000587451767 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(C#CC(C)(C)O)cc1)[C@@H](C2)C3=O ZINC000587451774 EG Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@@H]1C)[C@@H](C2)C3=O ZINC000587451903 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@H]1C)[C@@H](C2)C3=O ZINC000587451907 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C)[C@@H](C2)C3=O ZINC000587451909 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@H]1C)[C@@H](C2)C3=O ZINC000587451911 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587451913 EG Annotated Clean COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587451915 EG Annotated Clean CCc1oc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(=O)OC ZINC000587452087 EG Annotated Anodyne CCc1oc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(=O)OC ZINC000587452089 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc4c1OCCCO4)[C@@H](C2)C3=O ZINC000587452093 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc4c1OCCCO4)[C@@H](C2)C3=O ZINC000587452095 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1csc(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587452151 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1csc(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587452154 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cc1C)OCCO4)[C@@H](C2)C3=O ZINC000587452204 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1C)OCCO4)[C@@H](C2)C3=O ZINC000587452206 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sccc1NC(C)=O)[C@@H](C2)C3=O ZINC000587452209 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sccc1NC(C)=O)[C@@H](C2)C3=O ZINC000587452210 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)O)ccc1C)[C@@H](C2)C3=O ZINC000587452376 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)O)ccc1C)[C@@H](C2)C3=O ZINC000587452377 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](C(=O)O)C(C)(C)C1)[C@@H](C2)C3=O ZINC000587452458 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)C(C)(C)C1)[C@@H](C2)C3=O ZINC000587452459 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H](C(=O)O)C(C)(C)C1)[C@@H](C2)C3=O ZINC000587452460 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@H](C(=O)O)C(C)(C)C1)[C@@H](C2)C3=O ZINC000587452461 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4oc(CO)cc4c1)[C@@H](C2)C3=O ZINC000587452643 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4oc(CO)cc4c1)[C@@H](C2)C3=O ZINC000587452652 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(N(C)C)nc1C)[C@@H](C2)C3=O ZINC000587452757 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)O)cs1)[C@@H](C2)C3=O ZINC000587452793 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)O)cs1)[C@@H](C2)C3=O ZINC000587452794 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(N(C)C)nc1C)[C@@H](C2)C3=O ZINC000587453128 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C(=O)O)s1)[C@@H](C2)C3=O ZINC000587453133 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(=O)O)s1)[C@@H](C2)C3=O ZINC000587453134 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCN(C)C)(c1cccs1)[C@@H](C2)C3=O ZINC000587453187 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCN(C)C)(c1cccs1)[C@@H](C2)C3=O ZINC000587453188 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cccs1)[C@@H](C2)C3=O ZINC000587453189 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cccs1)[C@@H](C2)C3=O ZINC000587453190 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(OC)nc1Cl)[C@@H](C2)C3=O ZINC000587453195 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(OC)nc1Cl)[C@@H](C2)C3=O ZINC000587453196 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccsc1C(=O)O)[C@@H](C2)C3=O ZINC000587453425 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccsc1C(=O)O)[C@@H](C2)C3=O ZINC000587453427 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c(OC)cccc41)[C@@H](C2)C3=O ZINC000587453442 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c(OC)cccc41)[C@@H](C2)C3=O ZINC000587453446 EG Annotated Anodyne COc1ccc2c(c1)OC=C[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453491 EG Annotated Anodyne COc1ccc2c(c1)OC=C[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453500 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587453548 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587453549 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc([C@H]4CCCO4)s1)[C@@H](C2)C3=O ZINC000587453559 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc([C@@H]4CCCO4)s1)[C@@H](C2)C3=O ZINC000587453562 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc([C@@H]4CCCO4)s1)[C@@H](C2)C3=O ZINC000587453565 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc([C@H]4CCCO4)s1)[C@@H](C2)C3=O ZINC000587453568 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)cc(C(=O)O)cc1C)[C@@H](C2)C3=O ZINC000587453605 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nc4sccn14)[C@@H](C2)C3=O ZINC000587453620 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nc4sccn14)[C@@H](C2)C3=O ZINC000587453626 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)cc(C(=O)O)cc1C)[C@@H](C2)C3=O ZINC000587453711 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(N)c(C#N)c1Cl)[C@@H](C2)C3=O ZINC000587453805 EG Annotated Mild COc1cc2c3c(c1)O[C@H](c1sc(N)c(C#N)c1Cl)[C@@H](C2)C3=O ZINC000587453806 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1cc(CC(=O)O)cs1)[C@@H](C2)C3=O ZINC000587453819 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(CC(=O)O)cs1)[C@@H](C2)C3=O ZINC000587453823 EG Annotated Anodyne CCSc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C ZINC000587453846 EG Annotated Anodyne CCSc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C ZINC000587453847 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C=O)(c1ccc(SC)cc1)[C@@H](C2)C3=O ZINC000587453867 EG Annotated Mild COc1cc2c3c(c1)O[C@@](C=O)(c1ccc(SC)cc1)[C@@H](C2)C3=O ZINC000587453869 EG Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(CN(C)C)cs1)[C@@H](C2)C3=O ZINC000587453895 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(CN(C)C)cs1)[C@@H](C2)C3=O ZINC000587453897 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S)c(OC)c1)[C@@H](C2)C3=O ZINC000587453944 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S)c(OC)c1)[C@@H](C2)C3=O ZINC000587453947 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(SC)nc1Cl)[C@@H](C2)C3=O ZINC000587453948 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc5c(cc41)OCO5)[C@@H](C2)C3=O ZINC000587453956 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(SC)nc1Cl)[C@@H](C2)C3=O ZINC000587453957 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc5c(cc41)OCO5)[C@@H](C2)C3=O ZINC000587453962 EG Annotated Anodyne COC(=O)c1sccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454014 EG Annotated Anodyne COC(=O)c1sccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454015 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587454043 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587454045 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(SC)nc1C)[C@@H](C2)C3=O ZINC000587454121 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(SC)nc1C)[C@@H](C2)C3=O ZINC000587454122 EG Annotated Anodyne COC(=O)c1csc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587454166 EG Annotated Anodyne COC(=O)c1csc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587454168 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4SCCS[C@H]41)[C@@H](C2)C3=O ZINC000587454208 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4SCCS[C@@H]41)[C@@H](C2)C3=O ZINC000587454217 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4SCCS[C@H]41)[C@@H](C2)C3=O ZINC000587454220 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4SCCS[C@@H]41)[C@@H](C2)C3=O ZINC000587454222 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc(SC)cc1)[C@@H](C2)C3=O ZINC000587454240 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(=O)c1ccc(SC)cc1)[C@@H](C2)C3=O ZINC000587454242 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[C@@H]1CCOC1)[C@@H](C2)C3=O ZINC000587454291 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-n4ccnc4)cs1)[C@@H](C2)C3=O ZINC000587454293 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[C@H]1CCOC1)[C@@H](C2)C3=O ZINC000587454294 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-n4ccnc4)cs1)[C@@H](C2)C3=O ZINC000587454295 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[C@@H]1CCOC1)[C@@H](C2)C3=O ZINC000587454296 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[C@H]1CCOC1)[C@@H](C2)C3=O ZINC000587454299 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@H]1CCCCC14OCCO4)[C@@H](C2)C3=O ZINC000587454652 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@H]1CCCCC14OCCO4)[C@@H](C2)C3=O ZINC000587454653 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@@H]1CCCCC14OCCO4)[C@@H](C2)C3=O ZINC000587454654 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@@H]1CCCCC14OCCO4)[C@@H](C2)C3=O ZINC000587454655 EG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4nc(C)sc41)[C@@H](C2)C3=O ZINC000587454713 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4nc(C)sc41)[C@@H](C2)C3=O ZINC000587454714 EG Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)o1 ZINC000587455038 EG Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)o1 ZINC000587455039 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H]1COc4ccccc4O1)[C@@H](C2)C3=O ZINC000587455261 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1COc4ccccc4O1)[C@@H](C2)C3=O ZINC000587455262 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1COc4ccccc4O1)[C@@H](C2)C3=O ZINC000587455263 EG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1COc4ccccc4O1)[C@@H](C2)C3=O ZINC000587455264 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@]1(c4ccccc4)CCOC1)[C@@H](C2)C3=O ZINC000587455479 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@]1(c4ccccc4)CCOC1)[C@@H](C2)C3=O ZINC000587455482 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@]1(c4ccccc4)CCOC1)[C@@H](C2)C3=O ZINC000587455484 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@]1(c4ccccc4)CCOC1)[C@@H](C2)C3=O ZINC000587455485 EG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C4(C)COC4)cc1)[C@@H](C2)C3=O ZINC000587455500 EG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C4(C)COC4)cc1)[C@@H](C2)C3=O ZINC000587455501 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(=O)CBr)CC2=O ZINC000587456092 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(C(=O)CBr)CC2=O ZINC000587456093 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)=O)CC2=O ZINC000587456096 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C(C)=O)CC2=O ZINC000587456097 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(CCC(=O)OC)CC2=O ZINC000587457699 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(CCC(=O)OC)CC2=O ZINC000587457700 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)OCC)CC2=O ZINC000587458015 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)OCC)CC2=O ZINC000587458020 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)OCC)CC2=O ZINC000587458021 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)OCC)CC2=O ZINC000587458023 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1nc(Cl)cnc1N)CC2=O ZINC000587458701 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nc(Cl)cnc1N)CC2=O ZINC000587458702 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](Cl)C(=O)OC)CC2=O ZINC000587458826 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC)([C@H](Cl)C(=O)OC)CC2=O ZINC000587458828 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC)([C@@H](Cl)C(=O)OC)CC2=O ZINC000587458830 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC)([C@H](Cl)C(=O)OC)CC2=O ZINC000587458832 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C\N(C)C)CC2=O ZINC000587459098 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C/N(C)C)CC2=O ZINC000587459105 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C/N(C)C)CC2=O ZINC000587459106 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C\N(C)C)CC2=O ZINC000587459107 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(CC(=O)OCC)CC2=O ZINC000587459956 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(CC(=O)OCC)CC2=O ZINC000587459958 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cnn(CCCl)c1)CC2=O ZINC000587460016 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCCl)c1)CC2=O ZINC000587460017 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCCCl)(C(=O)OC)CC2=O ZINC000587460390 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCCCl)(C(=O)OC)CC2=O ZINC000587460391 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)cnc1N)CC2=O ZINC000587460843 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)cnc1N)CC2=O ZINC000587460848 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnn(C)c1)CC2=O ZINC000587462346 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cnn(C)c1)CC2=O ZINC000587462347 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC)(C(F)(F)C(=O)OC)CC2=O ZINC000587462742 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(C(F)(F)C(=O)OC)CC2=O ZINC000587462743 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(F)(F)C(=O)OCC)CC2=O ZINC000587462766 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(F)(F)C(=O)OCC)CC2=O ZINC000587462767 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CC1)(C(F)(F)C(=O)O)CC2=O ZINC000587463388 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CC1)(C(F)(F)C(=O)O)CC2=O ZINC000587463389 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(F)F)CC2=O ZINC000587463457 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(F)F)CC2=O ZINC000587463459 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)([C@H](F)C(=O)OCC)CC2=O ZINC000587464527 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](F)C(=O)OCC)CC2=O ZINC000587464528 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)([C@H](F)C(=O)OCC)CC2=O ZINC000587464529 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)([C@@H](F)C(=O)OCC)CC2=O ZINC000587464530 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc(F)cc1)CC2=O ZINC000587465185 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN)(c1ccc(F)cc1)CC2=O ZINC000587465187 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(F)cc1)CC2=O ZINC000587465208 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(F)cc1)CC2=O ZINC000587465211 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CC(F)F)CC1)CC2=O ZINC000587466023 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1F)CC2=O ZINC000587466374 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1F)CC2=O ZINC000587466376 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(F)cc1F)CC2=O ZINC000587467094 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(F)cc1F)CC2=O ZINC000587467103 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnn(C)c1)(C(F)F)CC2=O ZINC000587467361 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnn(C)c1)(C(F)F)CC2=O ZINC000587467362 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(NC(C)=O)CC1)CC2=O ZINC000587467640 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(F)cc1)CC2=O ZINC000587467767 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(F)cc1)CC2=O ZINC000587467768 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(C)nc1N(C)C)CC2=O ZINC000587468156 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(C)nc1N(C)C)CC2=O ZINC000587468158 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(Cc1ccc(F)cc1)CC2=O ZINC000587468455 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(Cc1ccc(F)cc1)CC2=O ZINC000587468457 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](C)C(=O)O)CC2=O ZINC000587468736 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](C)C(=O)O)CC2=O ZINC000587468747 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncccc1[N+](=O)[O-])CC2=O ZINC000587468870 EG Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ncccc1[N+](=O)[O-])CC2=O ZINC000587468874 EG Annotated Bother CCCc1c(O)ccc2c1O[C@](CC)(c1c[nH]ccc1=N)CC2=O ZINC000587468935 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1c[nH]ccc1=N)CC2=O ZINC000587468944 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CNC(=O)OC(C)(C)C)CC2=O ZINC000587469032 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CNC(=O)OC(C)(C)C)CC2=O ZINC000587469033 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1C(N)=O)CC2=O ZINC000587469052 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C(N)=O)CC2=O ZINC000587469053 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(C)(C)NC(C)=O)CC2=O ZINC000587469100 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(C)(C)NC(C)=O)CC2=O ZINC000587469101 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cn1)CC2=O ZINC000587469481 EG Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cn1)CC2=O ZINC000587469482 EG Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(C=O)n(C)c1)CC2=O ZINC000587469855 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C=O)n(C)c1)CC2=O ZINC000587469856 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(C1CCOCC1)CC2=O ZINC000587469954 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(C1CCOCC1)CC2=O ZINC000587469955 EG Annotated Mild CCCc1c(O)ccc2c1OC1(CCC(n3cnnc3)CC1)CC2=O ZINC000587470281 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)nc(N(C)C)n1)CC2=O ZINC000587470291 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)nc(N(C)C)n1)CC2=O ZINC000587470292 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC(=O)/C1=C\N(C)C)CC2=O ZINC000587470293 EG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCCC(=O)/C1=C\N(C)C)CC2=O ZINC000587470294 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCCC(=O)/C1=C/N(C)C)CC2=O ZINC000587470295 EG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCCC(=O)/C1=C/N(C)C)CC2=O ZINC000587470296 EG Annotated Mild C=CC[C@@]1(CNC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587470380 EG Annotated Mild C=CC[C@]1(CNC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587470382 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccncc1NC(C)=O)CC2=O ZINC000587470428 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccncc1NC(C)=O)CC2=O ZINC000587470429 EG Annotated Anodyne C=CCN(C[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCC ZINC000587470640 EG Annotated Mild C=CCN(C[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCC ZINC000587470641 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cccn1CCOC)CC2=O ZINC000587470812 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1CCOC)CC2=O ZINC000587470814 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CC(=O)N(C)C)CC2=O ZINC000587470888 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CC(=O)N(C)C)CC2=O ZINC000587470891 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)n(C)c1)CC2=O ZINC000587470892 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CC(=O)N(C)C)CC2=O ZINC000587470893 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)n(C)c1)CC2=O ZINC000587470894 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CC(=O)N(C)C)CC2=O ZINC000587470896 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)([C@H](C#N)C(=O)OCC)CC2=O ZINC000587470903 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](C#N)C(=O)OCC)CC2=O ZINC000587470909 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](CC)([C@H](C#N)C(=O)OCC)CC2=O ZINC000587470910 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](CC)([C@@H](C#N)C(=O)OCC)CC2=O ZINC000587470912 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)([C@@H]1CCCOC1)CC2=O ZINC000587471012 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)([C@H]1CCCOC1)CC2=O ZINC000587471014 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)([C@H]1CCCOC1)CC2=O ZINC000587471016 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)([C@@H]1CCCOC1)CC2=O ZINC000587471017 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(CC)CC)CC2=O ZINC000587471067 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(CC)CC)CC2=O ZINC000587471068 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)NC(C)C)(C(C)C)CC2=O ZINC000587471080 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)NC(C)C)(C(C)C)CC2=O ZINC000587471082 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccncc1[N+](=O)[O-])CC2=O ZINC000587471266 EG Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccncc1[N+](=O)[O-])CC2=O ZINC000587471268 EG Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(F)ccc21 ZINC000587471302 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(F)ccc21 ZINC000587471317 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1NC(C)=O)CC2=O ZINC000587471390 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1NC(C)=O)CC2=O ZINC000587471391 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1nccn1C)(C1CC1)CC2=O ZINC000587471470 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1nccn1C)(C1CC1)CC2=O ZINC000587471471 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1CC(=O)OC)CC2=O ZINC000587471757 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1CC(=O)OC)CC2=O ZINC000587471758 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC)(c1ccc(O)cc1)CC2=O ZINC000587471839 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC)(c1ccc(O)cc1)CC2=O ZINC000587471840 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(F)c21 ZINC000587471971 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(F)c21 ZINC000587471972 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c(N)c1)CC2=O ZINC000587472344 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)c(N)c1)CC2=O ZINC000587472345 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(N)=COc2ccccc21 ZINC000587472389 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(N)=COc2ccccc21 ZINC000587472390 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]nc3ncc(F)cc13)CC2=O ZINC000587472628 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]nc3ncc(F)cc13)CC2=O ZINC000587472629 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(F)cccc21 ZINC000587473099 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(F)cccc21 ZINC000587473101 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(F)cc21 ZINC000587473311 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(F)cc21 ZINC000587473312 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]ccc1=N)(C1CC1)CC2=O ZINC000587473347 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]ccc1=N)(C1CC1)CC2=O ZINC000587473348 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc(C)cc1)CC2=O ZINC000587473407 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN)(c1ccc(C)cc1)CC2=O ZINC000587473408 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(=O)C3CC3)CC1)CC2=O ZINC000587474012 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)n1cncn1)CC2=O ZINC000587474031 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)n1cncn1)CC2=O ZINC000587474032 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cn(C)nc1C)CC2=O ZINC000587474126 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cn(C)nc1C)CC2=O ZINC000587474127 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cnn(CC)c1)CC2=O ZINC000587474426 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cnn(CC)c1)CC2=O ZINC000587474427 EG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCCN(C(C)=O)CC1)CC2=O ZINC000587474640 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(C)=O)CC1)CC2=O ZINC000587474726 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)(C)C)nn1)CC2=O ZINC000587474866 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)(C)C)nn1)CC2=O ZINC000587474870 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CC)C(=O)C1)CC2=O ZINC000587475062 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CC)C(=O)C1)CC2=O ZINC000587475065 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCOCC1)CC2=O ZINC000587475084 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCOCC1)CC2=O ZINC000587475086 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(C3CC3)C(=O)C1)CC2=O ZINC000587475177 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(C3CC3)C(=O)C1)CC2=O ZINC000587475180 EG Annotated Anodyne C=CN1CC[C@@H]([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475245 EG Annotated Anodyne C=CN1CC[C@H]([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475246 EG Annotated Anodyne C=CN1CC[C@@H]([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475248 EG Annotated Anodyne C=CN1CC[C@H]([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475249 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnn1CCCOC)CC2=O ZINC000587475372 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnn1CCCOC)CC2=O ZINC000587475373 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1ncnn1C)CC2=O ZINC000587475397 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1ncnn1C)CC2=O ZINC000587475398 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C[C@H](C(=O)O)C1)CC2=O ZINC000587475564 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C[C@@H](C(=O)O)C1)CC2=O ZINC000587475569 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C[C@H](C(=O)O)C1)CC2=O ZINC000587475571 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C[C@@H](C(=O)O)C1)CC2=O ZINC000587475573 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3c(c1)ncn3C)CC2=O ZINC000587475712 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(c1)ncn3C)CC2=O ZINC000587475715 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cnn(C)c1C)CC2=O ZINC000587475758 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cnn(C)c1C)CC2=O ZINC000587475759 EG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)OC(C)(C)C1)CC2=O ZINC000587475795 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)OC(C)(C)C1)CC2=O ZINC000587475796 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CN(C(=O)OC(C)(C)C)C1 ZINC000587475952 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)nnn3C)CC2=O ZINC000587476025 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)nnn3C)CC2=O ZINC000587476027 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1N(C)C)CC2=O ZINC000587476129 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1N(C)C)CC2=O ZINC000587476130 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(CC)nn(C)c1OC)CC2=O ZINC000587476158 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(CC)nn(C)c1OC)CC2=O ZINC000587476164 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C(C)=O)cnn1C)CC2=O ZINC000587476230 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C(C)=O)cnn1C)CC2=O ZINC000587476231 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nn(C)cc31)CC2=O ZINC000587476484 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nn(C)cc31)CC2=O ZINC000587476487 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1OC)CC2=O ZINC000587476863 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1OC)CC2=O ZINC000587476869 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CC(=O)OC)CC2=O ZINC000587477136 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CC(=O)OC)CC2=O ZINC000587477137 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CC(=O)OC)CC2=O ZINC000587477138 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CC(=O)OC)CC2=O ZINC000587477139 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3C)CC2=O ZINC000587477457 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3C)CC2=O ZINC000587477461 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(=O)C(C)C)CC1)CC2=O ZINC000587477514 EG Annotated Anodyne C#C[C@@]1(C(OCC)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587477646 EG Annotated Mild C#C[C@]1(C(OCC)OCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587477647 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(C1(C(=O)OCC)CC1)CC2=O ZINC000587477657 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C1(C(=O)OCC)CC1)CC2=O ZINC000587477659 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(OC)cc1)CC2=O ZINC000587477886 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)[C@@H]1C(=O)OC)CC2=O ZINC000587477887 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C)[C@H]1C(=O)OC)CC2=O ZINC000587477888 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C)[C@@H]1C(=O)OC)CC2=O ZINC000587477889 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(OC)cc1)CC2=O ZINC000587477891 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)[C@H]1C(=O)OC)CC2=O ZINC000587477892 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CC1)CC2=O ZINC000587478222 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CC1)CC2=O ZINC000587478228 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C1CCC1)CC2=O ZINC000587478303 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C1CCC1)CC2=O ZINC000587478306 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(O)cc1)CC2=O ZINC000587478497 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(O)cc1)CC2=O ZINC000587478499 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1ccccc1)CC2=O ZINC000587478548 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1ccccc1)CC2=O ZINC000587478555 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C13CC(C(=O)OC)(C1)C3)CC2=O ZINC000587478604 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C13CC(C(=O)OC)(C1)C3)CC2=O ZINC000587478608 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C)c1C(C)=O)CC2=O ZINC000587478968 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C)c1C(C)=O)CC2=O ZINC000587478971 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)cnn1COC)CC2=O ZINC000587479120 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)cnn1COC)CC2=O ZINC000587479121 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](C(=O)OC)C1)CC2=O ZINC000587479261 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(=O)OC)C1)CC2=O ZINC000587479262 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(=O)OC)C1)CC2=O ZINC000587479263 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(=O)OC)C1)CC2=O ZINC000587479264 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCO)CC2=O ZINC000587479625 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCO)CC2=O ZINC000587479631 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)Cc1ccnn1C)CC2=O ZINC000587479761 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C)Cc1ccnn1C)CC2=O ZINC000587479768 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](C)Cc1ccnn1C)CC2=O ZINC000587479773 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C)Cc1ccnn1C)CC2=O ZINC000587479778 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC)CC1)CC2=O ZINC000587479960 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](C(=O)OCC)[C@@H]31)CC2=O ZINC000587480072 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H](C(=O)OCC)[C@@H]31)CC2=O ZINC000587480076 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H](C(=O)OCC)[C@H]31)CC2=O ZINC000587480081 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@H]1[C@@H]3C(=O)OCC)CC2=O ZINC000587480083 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1C(=O)OC)CC2=O ZINC000587480180 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1C(=O)OC)CC2=O ZINC000587480182 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1C(=O)OC)CC2=O ZINC000587480185 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1C(=O)OC)CC2=O ZINC000587480187 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2C(C(=O)OCC)[C@@H]2C1 ZINC000587480217 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2C(C(=O)OCC)[C@H]2C1 ZINC000587480221 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2[C@@H](C1)[C@@H]2C(=O)OCC ZINC000587480223 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCO)cc1)CC2=O ZINC000587480503 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCO)cc1)CC2=O ZINC000587480505 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1[nH]nc3ncccc13)CC2=O ZINC000587480595 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]nc3ncccc13)CC2=O ZINC000587480604 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ncc[nH]1)CC2=O ZINC000587480605 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ncc[nH]1)CC2=O ZINC000587480607 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC3C[C@H]1CN(C3)C2 ZINC000587480726 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)o1)CC2=O ZINC000587480821 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)o1)CC2=O ZINC000587480825 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CC(C(=O)OC)C2)C1 ZINC000587480871 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1C(=O)OCC)CC2=O ZINC000587480883 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1C(=O)OCC)CC2=O ZINC000587480884 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1C(=O)OCC)CC2=O ZINC000587480886 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1C(=O)OCC)CC2=O ZINC000587480888 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc[nH]1)CC2=O ZINC000587480909 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc[nH]1)CC2=O ZINC000587480919 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587481518 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587481520 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc[nH]1)CC2=O ZINC000587481755 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc[nH]1)CC2=O ZINC000587481757 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(C)c21 ZINC000587481813 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(C)c21 ZINC000587481815 EG Annotated Anodyne CCCC(=O)N1CCC2(CC1)CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587481949 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)co1)CC2=O ZINC000587481990 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)co1)CC2=O ZINC000587481992 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3OC(C)(C)O[C@H]31)CC2=O ZINC000587482211 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3OC(C)(C)O[C@H]31)CC2=O ZINC000587482212 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)N(C)C)[nH]1)CC2=O ZINC000587482872 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)N(C)C)[nH]1)CC2=O ZINC000587482874 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C)cc21 ZINC000587482913 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C)cc21 ZINC000587482914 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](CC(=O)OC)C1)CC2=O ZINC000587483144 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)OC)C1)CC2=O ZINC000587483146 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](CC(=O)OC)C1)CC2=O ZINC000587483147 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](CC(=O)OC)C1)CC2=O ZINC000587483148 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c(C(=O)OC)c1C)CC2=O ZINC000587483537 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C)ccc21 ZINC000587483544 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C)ccc21 ZINC000587483552 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c(C(=O)OC)c1C)CC2=O ZINC000587483553 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc3nccnc13)CC2=O ZINC000587483565 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc3nccnc13)CC2=O ZINC000587483569 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)C1(C)C ZINC000587484023 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)C1(C)C ZINC000587484025 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)OC)C1(C)C ZINC000587484027 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)C1(C)C ZINC000587484030 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=O)(c1ccc(O)cc1)CC2=O ZINC000587484082 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)(c1ccc(O)cc1)CC2=O ZINC000587484106 EG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)C1)CC2=O ZINC000587484223 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)C1)CC2=O ZINC000587484225 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)OCC)C1)CC2=O ZINC000587484227 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)OCC)C1)CC2=O ZINC000587484228 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccco1)CC2=O ZINC000587484333 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccco1)CC2=O ZINC000587484336 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)on1)CC2=O ZINC000587484391 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)on1)CC2=O ZINC000587484393 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cccnc1C(=O)O)CC2=O ZINC000587484746 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccnc1C(=O)O)CC2=O ZINC000587484750 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)cc1O)CC2=O ZINC000587485141 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)cc1O)CC2=O ZINC000587485142 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(C(=O)OC)[nH]1)CC2=O ZINC000587485210 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(C(=O)OC)[nH]1)CC2=O ZINC000587485211 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)[nH]1)CC2=O ZINC000587485251 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)[nH]1)CC2=O ZINC000587485253 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1occc1C(=O)OC)CC2=O ZINC000587485517 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C(=O)OCC)C1 ZINC000587485530 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cn1)CC2=O ZINC000587485714 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cn1)CC2=O ZINC000587485716 EG Annotated Anodyne C#Cc1cccc2c1[C@@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2 ZINC000587485736 EG Annotated Mild C#Cc1cccc2c1[C@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2 ZINC000587485738 EG Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccnc(C(=O)OC)c1)CC2=O ZINC000587485752 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc(C(=O)OC)c1)CC2=O ZINC000587485754 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3nc(C)nn13)CC2=O ZINC000587485909 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3nc(C)nn13)CC2=O ZINC000587485911 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1occc1C(=O)OC)CC2=O ZINC000587485987 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)cncc1OC)CC2=O ZINC000587486224 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cncc1OC)CC2=O ZINC000587486228 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOC3(CCOCC3)C1)CC2=O ZINC000587486589 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC3(CCOCC3)C1)CC2=O ZINC000587486599 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)cccc21 ZINC000587486675 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)cccc21 ZINC000587486677 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CCC(=O)N3)CC1)CC2=O ZINC000587486716 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2ccccc21 ZINC000587486874 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2ccccc21 ZINC000587486878 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)nc1)CC2=O ZINC000587486889 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)nc1)CC2=O ZINC000587486892 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ncc[nH]1)CC2=O ZINC000587486901 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ncc[nH]1)CC2=O ZINC000587486903 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1ncc[nH]1)CC2=O ZINC000587487078 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1ncc[nH]1)CC2=O ZINC000587487079 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nc[nH]n1)CC2=O ZINC000587487111 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nc[nH]n1)CC2=O ZINC000587487115 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)O)c(C)[nH]1)CC2=O ZINC000587487164 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)c(C)[nH]1)CC2=O ZINC000587487173 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)OC)c1)CC2=O ZINC000587487229 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(C(=O)OC)c1)CC2=O ZINC000587487232 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccoc1C(=O)OC)CC2=O ZINC000587487242 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccoc1C(=O)OC)CC2=O ZINC000587487246 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cncc3c1NCCO3)CC2=O ZINC000587487384 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cncc3c1NCCO3)CC2=O ZINC000587487386 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C#N)ccc21 ZINC000587487579 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C#N)ccc21 ZINC000587487584 EG Annotated Mild CCCc1c(O)ccc2c1OC1(CCC3(CC1)CNC(=O)C3)CC2=O ZINC000587487966 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccccc2OC1=O ZINC000587488271 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccccc2OC1=O ZINC000587488278 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)c1cccc(O)c1)CC2=O ZINC000587488470 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(=O)c1cccc(O)c1)CC2=O ZINC000587488471 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CC(C(=O)O)C2)C1 ZINC000587488495 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1C(=O)OC)CC2=O ZINC000587488532 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1C(=O)OC)CC2=O ZINC000587488534 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)nc1OC)CC2=O ZINC000587488628 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)nc1OC)CC2=O ZINC000587488632 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(=O)O)n1)CC2=O ZINC000587488646 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(=O)O)n1)CC2=O ZINC000587488647 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(CCOC)nc1)CC2=O ZINC000587488751 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(CCOC)nc1)CC2=O ZINC000587488757 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1)CC2=O ZINC000587488979 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1)CC2=O ZINC000587488982 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)nc1)CC2=O ZINC000587489752 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)nc1)CC2=O ZINC000587489757 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC)(c1ccccn1)CC2=O ZINC000587489918 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC)(c1ccccn1)CC2=O ZINC000587489922 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)c(=S)n1C)CC2=O ZINC000587490255 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn3cccnc3n1)CC2=O ZINC000587490263 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn3cccnc3n1)CC2=O ZINC000587490266 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c(=S)n1C)CC2=O ZINC000587490267 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3n1C=CCC3=O)CC2=O ZINC000587490269 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3n1C=CCC3=O)CC2=O ZINC000587490291 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C#CCO)cc1)CC2=O ZINC000587490322 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#CCO)cc1)CC2=O ZINC000587490324 EG Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)n1)CC2=O ZINC000587490528 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)n1)CC2=O ZINC000587490529 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)c(OC)c1)CC2=O ZINC000587490603 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)c(OC)c1)CC2=O ZINC000587490604 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(C(=O)O)CC2=O ZINC000587490824 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(C(=O)O)CC2=O ZINC000587490828 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)OC)n1)CC2=O ZINC000587490859 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)OC)n1)CC2=O ZINC000587490863 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC3(C1)OCCO3)CC2=O ZINC000587490991 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC3(C1)OCCO3)CC2=O ZINC000587490995 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC=Cn3c(C=O)cnc31)CC2=O ZINC000587491011 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC=Cn3c(C=O)cnc31)CC2=O ZINC000587491018 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3cccnc31)CC2=O ZINC000587491081 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3cccnc31)CC2=O ZINC000587491084 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=O)(c1cccc(O)c1)CC2=O ZINC000587491396 EG Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)(c1cccc(O)c1)CC2=O ZINC000587491397 EG Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(C(N)=O)cs1)CC2=O ZINC000587492089 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(N)=O)cs1)CC2=O ZINC000587492091 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OCC)[C@@]12CCCO2 ZINC000587492441 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)[C@@]12CCCO2 ZINC000587492443 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(N)=S)(c1ccccc1)CC2=O ZINC000587492452 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(N)=S)(c1ccccc1)CC2=O ZINC000587492454 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC)(C1CCOCC1)CC2=O ZINC000587492479 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC)(C1CCOCC1)CC2=O ZINC000587492480 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(C(=O)OCC)co1)CC2=O ZINC000587492774 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(C(=O)OCC)co1)CC2=O ZINC000587492780 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1cc(OC)ncn1)CC2=O ZINC000587492914 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1cc(OC)ncn1)CC2=O ZINC000587492915 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(=N)sc31)CC2=O ZINC000587493295 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c(=N)sc31)CC2=O ZINC000587493296 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3sc(=N)[nH]c31)CC2=O ZINC000587493359 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3sc(=N)[nH]c31)CC2=O ZINC000587493362 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ncc(C(=O)O)s1)CC2=O ZINC000587493364 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(C(=O)O)s1)CC2=O ZINC000587493368 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(C(=O)OC)s1)CC2=O ZINC000587493369 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(C(=O)OC)s1)CC2=O ZINC000587493370 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3[nH]c(=N)sc3C1)CC2=O ZINC000587493387 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3[nH]c(=N)sc3C1)CC2=O ZINC000587493390 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(=N)sc1C)CC2=O ZINC000587493420 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(=N)sc1C)CC2=O ZINC000587493421 EG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CC1)OCCO3)CC2=O ZINC000587493767 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(NC(C)=O)n1)CC2=O ZINC000587494056 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(NC(C)=O)n1)CC2=O ZINC000587494066 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(N)=O)s1)CC2=O ZINC000587494587 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(N)=O)s1)CC2=O ZINC000587494590 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C#CCO)cs1)CC2=O ZINC000587494633 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(C#CCO)cs1)CC2=O ZINC000587494635 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ncsc1C(=O)OC)CC2=O ZINC000587494645 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncsc1C(=O)OC)CC2=O ZINC000587494646 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC1OCCO1)(C1CC1)CC2=O ZINC000587494698 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC1OCCO1)(C1CC1)CC2=O ZINC000587494700 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C#CCO)s1)CC2=O ZINC000587495052 EG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#CCO)s1)CC2=O ZINC000587495054 EG Annotated Mild CCOC(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495680 EG Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495689 EG Annotated Reactive CCOC(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495691 EG Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495694 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cccs1)CC2=O ZINC000587495738 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cccs1)CC2=O ZINC000587495739 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(=N)[nH]c1C)CC2=O ZINC000587496291 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(=N)[nH]c1C)CC2=O ZINC000587496293 EG Annotated Anodyne C[C@]1(c2nc(Cl)cnc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496421 EG Annotated Anodyne C[C@@]1(c2nc(Cl)cnc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496423 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(C(=O)OC)cs1)CC2=O ZINC000587496655 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(C(=O)OC)cs1)CC2=O ZINC000587496657 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1cccs1)(C(=O)O)CC2=O ZINC000587496690 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1cccs1)(C(=O)O)CC2=O ZINC000587496691 EG Annotated Anodyne Cn1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587497140 EG Annotated Reactive Cn1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587497142 EG Annotated Reactive CN(C)/C=C(\C#N)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497264 EG Annotated Reactive CN(C)/C=C(/C#N)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497265 EG Annotated Reactive CN(C)/C=C(/C#N)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497266 EG Annotated Reactive CN(C)/C=C(\C#N)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497267 EG Annotated Reactive COC(=O)CC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497655 EG Annotated Reactive COC(=O)CC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497656 EG Annotated Reactive CCOC(=O)C[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497834 EG Annotated Reactive CCOC(=O)C[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497836 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1scnc1C(=O)O)CC2=O ZINC000587498061 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1scnc1C(=O)O)CC2=O ZINC000587498062 EG Annotated Anodyne O=C1C[C@](CCl)(c2cnc(O)[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587498197 EG Annotated Reactive O=C1C[C@@](CCl)(c2cnc(O)[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587498199 EG Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cn3c(n1)SCC3)CC2=O ZINC000587498393 EG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn3c(n1)SCC3)CC2=O ZINC000587498394 EG Annotated Anodyne CC[C@]1(CNC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498397 EG Annotated Reactive CC[C@@]1(CNC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498400 EG Annotated Reactive C[C@@H](Cl)C(=O)NC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498492 EG Annotated Reactive C[C@H](Cl)C(=O)NC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498495 EG Annotated Reactive C[C@H](Cl)C(=O)NC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498499 EG Annotated Reactive C[C@@H](Cl)C(=O)NC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498502 EG Annotated Reactive O=C1C[C@H](c2c(Cl)n[nH]c2C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587498529 EG Annotated Anodyne O=C1C[C@@H](c2c(Cl)n[nH]c2C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587498530 EG Annotated Anodyne CC[C@@]1(C(F)(F)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498544 EG Annotated Anodyne CC[C@]1(C(F)(F)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498545 EG Annotated Anodyne CC[C@@]1([C@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498583 EG Annotated Reactive CC[C@]1([C@@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498585 EG Annotated Reactive CC[C@]1([C@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498587 EG Annotated Reactive CC[C@@]1([C@@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498590 EG Annotated Reactive C[C@@]1(C(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499255 EG Annotated Reactive C[C@]1(C(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499278 EG Annotated Reactive C[C@]1([C@]2(Cl)CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499283 EG Annotated Anodyne C[C@]1([C@@]2(Cl)CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499298 EG Annotated Anodyne C[C@@]1([C@]2(Cl)CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499301 EG Annotated Anodyne C[C@@]1([C@@]2(Cl)CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499303 EG Annotated Anodyne CC(=O)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499331 EG Annotated Reactive CC(=O)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499334 EG Annotated Reactive N=c1[nH]cnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499731 EG Annotated Anodyne N=c1[nH]cnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499739 EG Annotated Anodyne COC(=O)[C@@]1(CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500291 EG Annotated Reactive COC(=O)[C@]1(CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500293 EG Annotated Reactive Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)[nH]c1=N ZINC000587500545 EG Annotated Anodyne Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)[nH]c1=N ZINC000587500546 EG Annotated Anodyne Nc1ncc(Cl)nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501331 EG Annotated Anodyne Nc1ncc(Cl)nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501335 EG Annotated Anodyne Cn1cc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587501519 EG Annotated Anodyne Cn1cc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587501522 EG Annotated Anodyne CN=c1[nH]c(Cl)ncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502405 EG Annotated Anodyne CN=c1[nH]c(Cl)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502416 EG Annotated Anodyne CCOC(=O)C(F)(F)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503755 EG Annotated Anodyne CCOC(=O)C(F)(F)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503756 EG Annotated Anodyne O=C1C[C@](C2CC2)(C(F)(F)C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587503898 EG Annotated Anodyne O=C1C[C@@](C2CC2)(C(F)(F)C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587503909 EG Annotated Anodyne CCOC(=O)C[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504649 EG Annotated Anodyne CCOC(=O)C[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504651 EG Annotated Anodyne CCOC(=O)[C@H](C#N)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506949 EG Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506950 EG Annotated Mild CCOC(=O)[C@@H](C#N)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506952 EG Annotated Mild CCOC(=O)[C@@H](C#N)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506953 EG Annotated Mild NC(=O)C1C[C@@H]2CC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507225 EG Annotated Anodyne Cc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N(C)C)n1 ZINC000587508762 EG Annotated Anodyne Cc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N(C)C)n1 ZINC000587508770 EG Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc(N(C)C)n1 ZINC000587509716 EG Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc(N(C)C)n1 ZINC000587509719 EG Annotated Anodyne O=C1C[C@@H](CNC(=O)C2CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587510114 EG Annotated Anodyne O=C1C[C@H](CNC(=O)C2CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587510116 EG Annotated Anodyne Cn1ncc([N+](=O)[O-])c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510344 EG Annotated Bother Cn1ncc([N+](=O)[O-])c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510348 EG Annotated Bother O=C1C[C@H](CCCNC(=O)C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587510494 EG Annotated Anodyne O=C1C[C@@H](CCCNC(=O)C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587510497 EG Annotated Anodyne COCCn1ccnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510966 EG Annotated Anodyne COCCn1ccnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510967 EG Annotated Anodyne C[C@]1(Cn2cc([N+](=O)[O-])cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511259 EG Annotated Bother C[C@@]1(Cn2cc([N+](=O)[O-])cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511260 EG Annotated Bother O=CNC[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511540 EG Annotated Anodyne O=CNC[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511541 EG Annotated Anodyne O=CNC[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511542 EG Annotated Anodyne O=CNC[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511543 EG Annotated Anodyne CN(C)/C=C1\C(=O)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511602 EG Annotated Mild CN(C)/C=C1/C(=O)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511603 EG Annotated Mild CN(C)/C=C1/C(=O)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511604 EG Annotated Mild CN(C)/C=C1\C(=O)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511605 EG Annotated Mild Cn1nc([N+](=O)[O-])cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511731 EG Annotated Bother Cn1nc([N+](=O)[O-])cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511733 EG Annotated Bother Cn1cc([N+](=O)[O-])c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587511735 EG Annotated Bother Cn1cc([N+](=O)[O-])c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587511737 EG Annotated Bother COC(=O)Cn1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511822 EG Annotated Anodyne COC(=O)Cn1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511823 EG Annotated Anodyne O=C(O)Cn1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512179 EG Annotated Anodyne O=C(O)Cn1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512180 EG Annotated Anodyne O=C1C[C@]2(CCN(C3CC3)C(=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587512264 EG Annotated Anodyne O=C1C[C@@]2(CCN(C3CC3)C(=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587512265 EG Annotated Anodyne O=C1CC2(CCN(c3ncccn3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587512329 EG Annotated Anodyne CC(=O)NC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587512742 EG Annotated Anodyne CC(C)NC(=O)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512744 EG Annotated Anodyne CC(C)NC(=O)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512745 EG Annotated Anodyne CC(C)(C)OC(=O)NC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512750 EG Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512751 EG Annotated Anodyne CNC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513178 EG Annotated Anodyne CNC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513179 EG Annotated Anodyne O=Cc1cnc2n1C=CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513295 EG Annotated Anodyne O=Cc1cnc2n1C=CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513298 EG Annotated Anodyne CN(C)/C=C1\C(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513440 EG Annotated Mild CN(C)/C=C1/C(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513444 EG Annotated Mild CN(C)/C=C1/C(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513446 EG Annotated Mild CN(C)/C=C1\C(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513449 EG Annotated Mild COC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587513596 EG Annotated Anodyne COC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587513597 EG Annotated Anodyne C[C@]1(Cn2ccc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513722 EG Annotated Bother C[C@@]1(Cn2ccc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513723 EG Annotated Bother O=C1C[C@@H](c2cc3c(cn2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587513866 EG Annotated Anodyne O=C1C[C@H](c2cc3c(cn2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587514031 EG Annotated Anodyne CCOC(=O)c1coc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587514118 EG Annotated Anodyne CCOC(=O)c1coc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587514120 EG Annotated Anodyne Cn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587514330 EG Annotated Anodyne Cn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587514332 EG Annotated Anodyne CCCN=c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587514366 EG Annotated Anodyne CCCN=c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587514368 EG Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587514379 EG Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587514382 EG Annotated Anodyne O=CNC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514397 EG Annotated Anodyne O=CNC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514399 EG Annotated Anodyne COc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)nn1C ZINC000587514607 EG Annotated Anodyne COc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)nn1C ZINC000587514611 EG Annotated Anodyne C=CN1CC[C@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587514705 EG Annotated Anodyne C=CN1CC[C@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587514720 EG Annotated Anodyne C=CN1CC[C@@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587514721 EG Annotated Anodyne C=CN1CC[C@@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587514722 EG Annotated Anodyne COCCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514741 EG Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1 ZINC000587514774 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1 ZINC000587514776 EG Annotated Anodyne CN(C)/C=C/[C@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514886 EG Annotated Anodyne CN(C)/C=C/[C@@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514887 EG Annotated Anodyne C[C@@]1(c2cn3cccnc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515181 EG Annotated Anodyne C[C@]1(c2cn3cccnc3n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515183 EG Annotated Anodyne COc1cc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ncn1 ZINC000587515195 EG Annotated Anodyne COc1cc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ncn1 ZINC000587515196 EG Annotated Anodyne COCCc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515485 EG Annotated Anodyne COCCc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515490 EG Annotated Anodyne COc1ncnc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515512 EG Annotated Anodyne COc1ncnc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515513 EG Annotated Anodyne COc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1 ZINC000587515754 EG Annotated Anodyne COc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1 ZINC000587515755 EG Annotated Anodyne COc1cc(OC)nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587515790 EG Annotated Anodyne COc1cc(OC)nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587515791 EG Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccn1 ZINC000587515816 EG Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccn1 ZINC000587515817 EG Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2nncn12 ZINC000587515964 EG Annotated Anodyne Cc1nn(C)cc1[C@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515965 EG Annotated Mild Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2nncn12 ZINC000587515966 EG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515967 EG Annotated Mild COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515973 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587515974 EG Annotated Anodyne Cc1nn(CCO)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516776 EG Annotated Anodyne Cc1nn(CCO)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516778 EG Annotated Anodyne CC(C)[C@@]1(Cn2cncn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516878 EG Annotated Anodyne CC(C)[C@]1(Cn2cncn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516879 EG Annotated Anodyne Cc1nn(C)c(N(C)C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517034 EG Annotated Anodyne Cc1nn(C)c(N(C)C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517035 EG Annotated Anodyne CCN1C(=O)C[C@]2(C=C1C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517152 EG Annotated Anodyne CCN1C(=O)C[C@@]2(C=C1C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517153 EG Annotated Anodyne Cn1cc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517202 EG Annotated Anodyne Cn1cc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517203 EG Annotated Anodyne O=C1C[C@H](c2ccnn2-c2ncccn2)Oc2c1ccc1c2CCCC1 ZINC000587517244 EG Annotated Anodyne O=C1C[C@@H](c2ccnn2-c2ncccn2)Oc2c1ccc1c2CCCC1 ZINC000587517245 EG Annotated Anodyne COCn1ncc(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517266 EG Annotated Anodyne COCn1ncc(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517267 EG Annotated Anodyne CC(=O)c1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587517294 EG Annotated Anodyne CC(=O)c1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587517295 EG Annotated Anodyne CC(C)[C@]1(c2ncnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517324 EG Annotated Anodyne CC(C)[C@@]1(c2ncnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517325 EG Annotated Anodyne COCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517618 EG Annotated Anodyne COCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517619 EG Annotated Anodyne CC(C)(n1cncn1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517622 EG Annotated Anodyne CC(C)(n1cncn1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517623 EG Annotated Anodyne O=C1C[C@H](c2cnn(-c3cnccn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517770 EG Annotated Anodyne O=C1C[C@@H](c2cnn(-c3cnccn3)c2)Oc2c1ccc1c2CCCC1 ZINC000587517771 EG Annotated Anodyne Cc1c([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587517867 EG Annotated Mild Cc1c([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587517868 EG Annotated Mild CC(=O)c1cnn(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518053 EG Annotated Anodyne CC(=O)c1cnn(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518054 EG Annotated Anodyne CC(C)([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCOCC1 ZINC000587518698 EG Annotated Anodyne CC(C)([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCOCC1 ZINC000587518699 EG Annotated Anodyne CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518962 EG Annotated Anodyne CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518963 EG Annotated Anodyne C[C@]1(/C=C/N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519010 EG Annotated Anodyne C[C@@]1(/C=C/N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519011 EG Annotated Anodyne Cn1c2c(ccc1=O)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519026 EG Annotated Anodyne Cn1c2c(ccc1=O)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519027 EG Annotated Anodyne C[C@]1(CCN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519165 EG Annotated Anodyne C[C@@]1(CCN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519166 EG Annotated Anodyne CC(C)(CN1CCOCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519171 EG Annotated Anodyne CC(C)(CN1CCOCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519172 EG Annotated Anodyne COC(=O)c1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519190 EG Annotated Anodyne COC(=O)c1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519191 EG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]21 ZINC000587520863 EG Annotated Anodyne CCOC(=O)C1[C@H]2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]12 ZINC000587520880 EG Annotated Anodyne CCOC(=O)C1[C@@H]2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]12 ZINC000587520881 EG Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521462 EG Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521478 EG Annotated Anodyne O=C1C[C@@H](c2cnc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587522211 EG Annotated Anodyne O=C1C[C@H](c2cnc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587522239 EG Annotated Anodyne CCOC(=O)C[C@]1(CCOC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522399 EG Annotated Anodyne O=C1N[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)Nc2ccccc21 ZINC000587522401 EG Annotated Anodyne O=C1N[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)Nc2ccccc21 ZINC000587522405 EG Annotated Anodyne CCOC(=O)C[C@@]1(CCOC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522406 EG Annotated Anodyne O=C1N[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)Nc2ccccc21 ZINC000587522408 EG Annotated Anodyne O=C1N[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)Nc2ccccc21 ZINC000587522410 EG Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522705 EG Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522706 EG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]21 ZINC000587522708 EG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]21 ZINC000587522712 EG Annotated Anodyne CCOC(=O)c1c[nH]nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522959 EG Annotated Anodyne CCOC(=O)c1c[nH]nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522971 EG Annotated Anodyne O=C1CC2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)CN1 ZINC000587523020 EG Annotated Anodyne CN(C)C(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 ZINC000587523067 EG Annotated Anodyne CN(C)C(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 ZINC000587523078 EG Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587523104 EG Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587523110 EG Annotated Anodyne C#C[C@@]1(C(OCC)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523131 EG Annotated Mild C#C[C@]1(C(OCC)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523141 EG Annotated Mild CCOC(=O)c1[nH]cnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523146 EG Annotated Anodyne CCOC(=O)c1[nH]cnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523147 EG Annotated Anodyne COc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523810 EG Annotated Anodyne COc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523817 EG Annotated Anodyne O=C1C[C@H](c2ccc(-c3nn[nH]n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523944 EG Annotated Anodyne O=C1C[C@@H](c2ccc(-c3nn[nH]n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523950 EG Annotated Anodyne C[C@@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524038 EG Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524039 EG Annotated Anodyne O=C1C[C@@H](c2cncc3c2NCCO3)Oc2c1ccc1c2CCCC1 ZINC000587524120 EG Annotated Anodyne O=C1C[C@H](c2cncc3c2NCCO3)Oc2c1ccc1c2CCCC1 ZINC000587524151 EG Annotated Anodyne C[C@]1(c2cc(C(=O)O)no2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524177 EG Annotated Anodyne C[C@@]1(c2cc(C(=O)O)no2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524178 EG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587524267 EG Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587524268 EG Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587524269 EG Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587524270 EG Annotated Anodyne COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C(=O)O)C1 ZINC000587524340 EG Annotated Anodyne COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C(=O)O)C1 ZINC000587524347 EG Annotated Anodyne COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](C(=O)O)C1 ZINC000587524348 EG Annotated Anodyne COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](C(=O)O)C1 ZINC000587524349 EG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524459 EG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524460 EG Annotated Anodyne COC(=O)C12CC([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)(C1)C2 ZINC000587525502 EG Annotated Anodyne COC(=O)C12CC([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)(C1)C2 ZINC000587525506 EG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525610 EG Annotated Anodyne CCOC(=O)[C@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525616 EG Annotated Anodyne CCOC1=C(OCC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587525693 EG Annotated Mild CCOC1=C(OCC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587525698 EG Annotated Mild Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2ncnn12 ZINC000587525820 EG Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2ncnn12 ZINC000587525824 EG Annotated Anodyne C#Cc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587526138 EG Annotated Mild C#Cc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587526149 EG Annotated Mild COC(=O)[C@@H]1[C@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526237 EG Annotated Anodyne COC(=O)[C@H]1[C@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526242 EG Annotated Anodyne COC(=O)[C@H]1[C@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526248 EG Annotated Anodyne COC(=O)[C@@H]1[C@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526250 EG Annotated Anodyne O=C1C[C@H](c2cccc(-c3nn[nH]n3)c2)Oc2c1ccc1c2CCCC1 ZINC000587526266 EG Annotated Anodyne O=C1C[C@@H](c2cccc(-c3nn[nH]n3)c2)Oc2c1ccc1c2CCCC1 ZINC000587526269 EG Annotated Anodyne N#Cc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526415 EG Annotated Mild N#Cc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526429 EG Annotated Mild COc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587526959 EG Annotated Anodyne COc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587526967 EG Annotated Anodyne COc1ccc([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527003 EG Annotated Anodyne COc1ccc([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527025 EG Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(O)ccc12 ZINC000587527103 EG Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(O)ccc12 ZINC000587527111 EG Annotated Anodyne N#Cc1cnn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 ZINC000587527362 EG Annotated Mild N#Cc1cnn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 ZINC000587527363 EG Annotated Mild COc1cccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527697 EG Annotated Anodyne COc1cccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527698 EG Annotated Anodyne CCOC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]n1 ZINC000587527713 EG Annotated Anodyne CCOC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]n1 ZINC000587527714 EG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587527763 EG Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587527764 EG Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 ZINC000587527906 EG Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1 ZINC000587527909 EG Annotated Anodyne CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528260 EG Annotated Anodyne CCOC(=O)c1n[nH]cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528262 EG Annotated Anodyne O=C1CCC2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)N1 ZINC000587528413 EG Annotated Anodyne Cc1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529252 EG Annotated Anodyne Cc1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529253 EG Annotated Anodyne CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CS(=O)(=O)C1 ZINC000587530342 EG Annotated Anodyne CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CS(=O)(=O)C1 ZINC000587530343 EG Annotated Anodyne COC[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530558 EG Annotated Anodyne COC[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530559 EG Annotated Anodyne NC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587530775 EG Annotated Anodyne NC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587530781 EG 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(=O)[C@H]41 ZINC000587531284 EG 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(=O)[C@@H]41 ZINC000587531288 EG Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 ZINC000587531289 EG Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C(=O)[C@@H]4[C@H]5[C@H]3C[C@H]1[C@H]5[C@H]42 ZINC000587531290 EG Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 ZINC000587531293 EG Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@@H]3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H]1[C@H]53)[C@H]42 ZINC000587531296 EG Annotated Anodyne O=C1C[C@H](c2cc(O)c(O)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587531466 EG Annotated Clean O=C1C[C@@H](c2cc(O)c(O)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587531469 EG Annotated Clean CCOC(=O)C[C@@]1(CS)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531598 EG Annotated Mild CCOC(=O)C[C@]1(CS)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531606 EG Annotated Mild O=C1C[C@@H](c2cc(O)c(O)c(O)c2)Oc2c1ccc1c2CCCC1 ZINC000587531806 EG Annotated Clean O=C1C[C@H](c2cc(O)c(O)c(O)c2)Oc2c1ccc1c2CCCC1 ZINC000587531807 EG Annotated Clean O=C1C[C@@](C(=O)O)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531834 EG Annotated Anodyne O=C1C[C@](C(=O)O)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531837 EG Annotated Anodyne O=C1C[C@]2(Cc3ccccc3OC2=O)Oc2c1ccc1c2CCCC1 ZINC000587532482 EG Annotated Anodyne O=C1C[C@@]2(Cc3ccccc3OC2=O)Oc2c1ccc1c2CCCC1 ZINC000587532487 EG Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587532494 EG Annotated Anodyne CS(=O)(=O)[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587532495 EG Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587532496 EG Annotated Anodyne CS(=O)(=O)[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587532497 EG Annotated Anodyne O=C1C[C@@H](c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 ZINC000587532808 EG Annotated Clean O=C1C[C@H](c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 ZINC000587532809 EG Annotated Clean CS(=O)(=O)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532883 EG Annotated Anodyne CS(=O)(=O)[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532885 EG Annotated Anodyne CS(=O)(=O)[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532886 EG Annotated Anodyne CS(=O)(=O)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532888 EG Annotated Anodyne O=C1C[C@@H](c2cc(O)nc(S)n2)Oc2c1ccc1c2CCCC1 ZINC000587533326 EG Annotated Anodyne O=C1C[C@H](c2cc(O)nc(S)n2)Oc2c1ccc1c2CCCC1 ZINC000587533332 EG Annotated Anodyne NC(=O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533556 EG Annotated Anodyne NC(=O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533558 EG Annotated Anodyne C[C@@]1(C2CCS(=O)(=O)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533938 EG Annotated Anodyne C[C@]1(C2CCS(=O)(=O)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533939 EG Annotated Anodyne O=C1C[C@@H](c2c(O)cc(O)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587534002 EG Annotated Anodyne O=C1C[C@H](c2c(O)cc(O)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587534003 EG Annotated Anodyne O=C1C[C@@](Cc2ccco2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587534078 EG Annotated Anodyne O=C1C[C@](Cc2ccco2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587534085 EG Annotated Anodyne CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(=N)[nH]1 ZINC000587534180 EG Annotated Anodyne CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(=N)[nH]1 ZINC000587534183 EG Annotated Anodyne CC1(C)C[C@@]2(C=C(C(=O)O)O1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587535201 EG Annotated Anodyne CC1(C)C[C@]2(C=C(C(=O)O)O1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587535203 EG Annotated Anodyne CC1(C)OC(C(=O)O)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587535633 EG Annotated Anodyne CC1(C)OC(C(=O)O)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587535636 EG Annotated Anodyne O=C1C[C@](CC2OCCO2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587536235 EG Annotated Anodyne O=C1C[C@@](CC2OCCO2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587536236 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536828 EG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536829 EG Annotated Anodyne CCOC(=O)[C@H]1CC[C@@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536830 EG Annotated Anodyne CCOC(=O)[C@H]1CC[C@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536831 EG Annotated Anodyne N=c1[nH]c2c(s1)C[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537364 EG Annotated Anodyne N=c1[nH]c2c(s1)C[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537365 EG Annotated Anodyne COC(=O)[C@H]1CSCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537858 EG Annotated Anodyne COC(=O)[C@H]1CSCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537869 EG Annotated Anodyne COC(=O)[C@@H]1CSCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537872 EG Annotated Anodyne COC(=O)[C@@H]1CSCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537875 EG Annotated Anodyne CCOC(=O)[C@H]1CSC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587538723 EG Annotated Anodyne CCOC(=O)[C@H]1CSC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587538726 EG Annotated Anodyne CCOC(=O)[C@@H]1CSC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587538728 EG Annotated Anodyne CCOC(=O)[C@@H]1CSC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587538730 EG Annotated Anodyne COC(=O)[C@@H]1SC[C@H](C)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587539246 EG Annotated Anodyne COC(=O)[C@@H]1SC[C@@H](C)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587539250 EG Annotated Anodyne COC(=O)[C@@H]1SC[C@H](C)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587539253 EG Annotated Anodyne COC(=O)[C@@H]1SC[C@@H](C)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587539254 EG Annotated Anodyne CCOC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545176 EG Annotated Reactive CCOC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545204 EG Annotated Reactive CCOC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545205 EG Annotated Reactive CCOC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545208 EG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]cc1Cl ZINC000587552353 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]cc1Cl ZINC000587552354 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]cc1Cl ZINC000587552355 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]cc1Cl ZINC000587552356 EG Annotated Anodyne CC(C)c1cc2c(O)nc(O)nc2nc1[C@H](C)NC(=O)OC(C)(C)C ZINC000587552791 EG Annotated Anodyne Nc1cccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)c1 ZINC000587554655 EG Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1 ZINC000587555122 EG Annotated Anodyne CC(C)Oc1ccc([C@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1 ZINC000587555126 EG Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCc1cc2c(O)nc(O)nc2nc1-3 ZINC000587555473 EG Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OCC(C)C)cc1 ZINC000587555506 EG Annotated Anodyne CC(C)(C)OC(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587555566 EG Annotated Anodyne N#CC[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555768 EG Annotated Mild N#CC[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555770 EG Annotated Mild N#CC[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555771 EG Annotated Mild N#CC[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555772 EG Annotated Mild CC(C)(Cc1ccc2c(O)nc(O)nc2n1)c1c[nH]c2ccccc12 ZINC000587555860 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(N4CCCCCC4)cc3)nc2n1 ZINC000587557257 EG Annotated Anodyne CC1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)CC1 ZINC000587557895 EG Annotated Anodyne Cc1ccc(C)c(-n2ncc(-c3ccc4c(O)nc(O)nc4n3)c2C)c1 ZINC000587557937 EG Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)c1ccc2c(O)nc(O)nc2n1 ZINC000587558346 EG Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@@H](C)c1ccc2c(O)nc(O)nc2n1 ZINC000587558347 EG Annotated Anodyne COc1cccc(/C=C2/CCCc3cc4c(O)nc(O)nc4nc32)c1 ZINC000587558651 EG Annotated Anodyne COc1cccc(/C=C2\CCCc3cc4c(O)nc(O)nc4nc32)c1 ZINC000587558652 EG Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1C(C)(C)C ZINC000587558854 EG Annotated Anodyne CCCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1OC ZINC000587559144 EG Annotated Anodyne CCc1cc2c(O)nc(O)nc2nc1-c1c(C)c2ccccc2n1C ZINC000587559281 EG Annotated Clean CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2C)cc1OCC ZINC000587559526 EG Annotated Anodyne CCCCCC[C@@H](C(=O)OCC)c1ccc2c(O)nc(O)nc2n1 ZINC000587559578 EG Annotated Anodyne CCCCCC[C@H](C(=O)OCC)c1ccc2c(O)nc(O)nc2n1 ZINC000587559579 EG Annotated Anodyne C/C=C\COc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587559979 EG Annotated Anodyne C/C=C/COc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587559980 EG Annotated Anodyne C/C=C\COc1ccc(Cc2cc3c(O)nc(O)nc3nc2C)cc1 ZINC000587560023 EG Annotated Anodyne C/C=C/COc1ccc(Cc2cc3c(O)nc(O)nc3nc2C)cc1 ZINC000587560024 EG Annotated Anodyne O=Cc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)o1 ZINC000587560217 EG Annotated Anodyne O=C(O)c1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)o1 ZINC000587560222 EG Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(C)C)cc1 ZINC000587560256 EG Annotated Anodyne COc1ccc2cc(Cc3cc4c(O)nc(O)nc4nc3C)ccc2c1 ZINC000587560438 EG Annotated Anodyne CCCCc1cc2c(O)nc(O)nc2nc1CC(=O)c1ccccc1 ZINC000587560753 EG Annotated Anodyne COc1ccc2cc(CCc3ccc4c(O)nc(O)nc4n3)ccc2c1 ZINC000587561039 EG Annotated Anodyne CC(=O)[C@@H](C/C=C\c1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587561178 EG Annotated Anodyne CC(=O)[C@H](C/C=C/c1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587561179 EG Annotated Anodyne CC(=O)[C@@H](C/C=C/c1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587561180 EG Annotated Anodyne CC(=O)[C@H](C/C=C\c1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587561182 EG Annotated Anodyne CC(C)c1ccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 ZINC000587561223 EG Annotated Anodyne CC(C)c1ccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 ZINC000587561224 EG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(-c4ccccc4)ccc3O)nc2n1 ZINC000587561798 EG Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3)c(-c3ccccc3O)nc2n1 ZINC000587562026 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1ccc2ccccc2c1OCC3 ZINC000587562512 EG Annotated Anodyne CC1(C)CC[C@@H]2O[C@@]2(C)[C@H]1/C=C/c1ccc2c(O)nc(O)nc2n1 ZINC000587562519 EG Annotated Anodyne CC1(C)CC[C@@H]2O[C@@]2(C)[C@@H]1/C=C/c1ccc2c(O)nc(O)nc2n1 ZINC000587562520 EG Annotated Anodyne CC1(C)CC[C@@H]2O[C@]2(C)[C@H]1/C=C/c1ccc2c(O)nc(O)nc2n1 ZINC000587562521 EG Annotated Anodyne CC1(C)CC[C@@H]2O[C@]2(C)[C@@H]1/C=C/c1ccc2c(O)nc(O)nc2n1 ZINC000587562522 EG Annotated Anodyne Cc1cc(-c2ccc3c(O)nc(O)nc3n2)sc1Br ZINC000587562523 EG Annotated Anodyne Nc1cc(-c2ccccc2)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587562557 EG Annotated Anodyne O=C(O)COCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587562833 EG Annotated Anodyne Nc1sc(-c2ccccc2)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587562890 EG Annotated Anodyne COCC(=O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587562935 EG Annotated Anodyne C#CCOc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 ZINC000587563014 EG Annotated Mild Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)s1 ZINC000587563093 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(Cl)ccc1SCC3 ZINC000587563137 EG Annotated Anodyne COc1cc(C)ccc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587563208 EG Annotated Anodyne COc1cc(OC)c2[nH]c(COc3ccc(C)cc3OC)nc2c1 ZINC000587563219 EG Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587563638 EG Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587563646 EG Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587563735 EG Annotated Anodyne Cc1sc(Br)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563784 EG Annotated Anodyne Cc1nc(C)c2c(C)c(-c3ccc4c(O)nc(O)nc4n3)sc2n1 ZINC000587564086 EG Annotated Anodyne C#CCOc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 ZINC000587564142 EG Annotated Mild COc1cc(C)ccc1OCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587564223 EG Annotated Anodyne Cc1cc(C)cc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 ZINC000587564301 EG Annotated Anodyne CCN1/C(=C\c2ccc3c(O)nc(O)nc3n2)Sc2ccccc21 ZINC000587564420 EG Annotated Anodyne CCN1/C(=C/c2ccc3c(O)nc(O)nc3n2)Sc2ccccc21 ZINC000587564424 EG Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587564474 EG Annotated Mild Cc1cccc(OCc2nc3nc(Br)c[nH]c-3n2)c1C ZINC000587564491 EG Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587564653 EG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1sc(-c2ccccc2)nc1CC3 ZINC000587564716 EG Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587564736 EG Annotated Anodyne COc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cc1OC ZINC000587564840 EG Annotated Anodyne Cc1cc(C)cc(OCc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587565118 EG Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587565346 EG Annotated Mild CC1=C(c2ccc3nc(COc4ccc(C)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587565390 EG Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587565471 EG Annotated Anodyne Cc1ccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587565490 EG Annotated Bother CC(C)COc1cccc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000587565560 EG Annotated Bother COC(=O)c1ccc2nc(COc3ccc(C)cc3)[nH]c2c1OC ZINC000587565572 EG Annotated Anodyne Brc1ccc2nc(CCOCc3ccccc3)[nH]c2n1 ZINC000587565844 EG Annotated Anodyne Brc1nccc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587565957 EG Annotated Anodyne CC(C)COc1cccc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587565975 EG Annotated Bother COC(=O)c1cc2[nH]c(COc3ccc(C)cc3)nc2cc1OC ZINC000587566022 EG Annotated Anodyne Brc1ccnc2[nH]c(CCOCc3ccccc3)nc12 ZINC000587566043 EG Annotated Anodyne Brc1cc2nc(CCOCc3ccccc3)[nH]c2cn1 ZINC000587566064 EG Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(N)c(N)cc3[nH]2)c1 ZINC000587566095 EG Annotated Anodyne Brc1cnc2[nH]c(CCOCc3ccccc3)nc2c1 ZINC000587566156 EG Annotated Anodyne Brc1cncc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587566193 EG Annotated Anodyne COc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1OC ZINC000587566303 EG Annotated Anodyne CCOC(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 ZINC000587566313 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000587566322 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587566352 EG Annotated Anodyne COC(=O)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1OC ZINC000587566393 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587566415 EG Annotated Anodyne Cc1cc2[nH]c(CCOc3ccc(C=O)cc3)nc2cc1[N+](=O)[O-] ZINC000587566428 EG Annotated Bother COC(=O)c1cc2[nH]c(CCOCc3ccccc3)nc2cc1OC ZINC000587566435 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587566453 EG Annotated Bother O=Cc1ccc(OCCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587566485 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587566510 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587566531 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587566536 EG Annotated Anodyne O=[N+]([O-])c1cc2nc(CCOCc3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587566590 EG Annotated Bother CCCOc1cccc(Cc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587566622 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587566644 EG Annotated Anodyne COc1cc(OC)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 ZINC000587566720 EG Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587566723 EG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(C)ccc(C)c2[nH]1 ZINC000587567312 EG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C)cc(C)c2[nH]1 ZINC000587568839 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(F)cn1 ZINC000587569106 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(F)cn1 ZINC000587569111 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(F)cn1 ZINC000587569397 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(F)cn1 ZINC000587569398 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCO[C@H](F)C2 ZINC000587569797 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCO[C@H](F)C2 ZINC000587569798 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCO[C@@H](F)C2 ZINC000587569799 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCO[C@@H](F)C2 ZINC000587569800 EG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000587570729 EG Annotated Anodyne C/C(=C\N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572495 EG Annotated Anodyne C/C(=C\N(C)C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572500 EG Annotated Anodyne C/C(=C\N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572503 EG Annotated Anodyne C/C(=C\N(C)C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572505 EG Annotated Anodyne Cc1cnc(N)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572893 EG Annotated Anodyne Cc1cnc(N)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572898 EG Annotated Anodyne Cc1cnc(N)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572900 EG Annotated Anodyne Cc1cnc(N)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572902 EG Annotated Anodyne CCN(CC)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573655 EG Annotated Anodyne CCN(CC)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573656 EG Annotated Anodyne CCN(CC)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573657 EG Annotated Anodyne CCN(CC)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573658 EG Annotated Anodyne CN(C)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573841 EG Annotated Anodyne CN(C)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573842 EG Annotated Anodyne CN(C)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573843 EG Annotated Anodyne CN(C)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573844 EG Annotated Anodyne CN(C)/C=C/[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574250 EG Annotated Anodyne CN(C)/C=C/[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574251 EG Annotated Anodyne CN(C)/C=C/[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574252 EG Annotated Anodyne CN(C)/C=C/[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574253 EG Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)n1 ZINC000587574335 EG Annotated Anodyne Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)n1 ZINC000587574336 EG Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)n1 ZINC000587574337 EG Annotated Anodyne Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)n1 ZINC000587574338 EG Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1C ZINC000587574773 EG Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1C ZINC000587574775 EG Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1C ZINC000587574776 EG Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1C ZINC000587574778 EG Annotated Anodyne CN(C)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574779 EG Annotated Anodyne CN(C)CCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574780 EG Annotated Anodyne CN(C)CCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574782 EG Annotated Anodyne CN(C)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574784 EG Annotated Anodyne CN(C)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574793 EG Annotated Anodyne CN(C)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574796 EG Annotated Anodyne CN(C)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574798 EG Annotated Anodyne CN(C)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574799 EG Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N ZINC000587574860 EG Annotated Mild Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N ZINC000587574862 EG Annotated Mild Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N ZINC000587574863 EG Annotated Mild Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N ZINC000587574865 EG Annotated Mild NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575050 EG Annotated Anodyne NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575052 EG Annotated Anodyne NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575054 EG Annotated Anodyne NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575057 EG Annotated Anodyne C[C@]1(c2ccncc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575151 EG Annotated Anodyne C[C@@]1(c2ccncc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575152 EG Annotated Anodyne C[C@@]1(c2ccncc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575153 EG Annotated Anodyne C[C@]1(c2ccncc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575154 EG Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587576022 EG Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587576023 EG Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587576024 EG Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587576026 EG Annotated Anodyne Cn1cncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576111 EG Annotated Anodyne Cn1cncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576116 EG Annotated Anodyne Cn1cncc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576119 EG Annotated Anodyne Cn1cncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576122 EG Annotated Anodyne Cc1cn(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587576258 EG Annotated Anodyne Cc1cn(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587576259 EG Annotated Anodyne Cc1cn(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587576261 EG Annotated Anodyne Cc1cn(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587576263 EG Annotated Anodyne CCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576611 EG Annotated Anodyne CCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576613 EG Annotated Anodyne CCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576614 EG Annotated Anodyne CCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576615 EG Annotated Anodyne C[C@@]1(Cn2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576616 EG Annotated Anodyne C[C@@]1(Cn2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576617 EG Annotated Anodyne C[C@]1(Cn2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576618 EG Annotated Anodyne C[C@]1(Cn2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576619 EG Annotated Anodyne CC(C)(C)[C@@]1(CN)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577418 EG Annotated Anodyne CC(C)(C)[C@]1(CN)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577420 EG Annotated Anodyne CC(C)(C)[C@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577421 EG Annotated Anodyne CC(C)(C)[C@@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577423 EG Annotated Anodyne Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577451 EG Annotated Anodyne Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577453 EG Annotated Anodyne Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577455 EG Annotated Anodyne Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577456 EG Annotated Anodyne C[C@]1(c2cc[nH]c(=N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577582 EG Annotated Anodyne C[C@@]1(c2cc[nH]c(=N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577583 EG Annotated Anodyne C[C@@]1(c2cc[nH]c(=N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577584 EG Annotated Anodyne C[C@]1(c2cc[nH]c(=N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577585 EG Annotated Anodyne Cn1ccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577716 EG Annotated Anodyne Cn1ccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577718 EG Annotated Anodyne Cn1ccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577721 EG Annotated Anodyne Cn1ccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577723 EG Annotated Anodyne CCn1cncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578074 EG Annotated Anodyne CCn1cncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578078 EG Annotated Anodyne CCn1cncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578079 EG Annotated Anodyne CCn1cncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578081 EG Annotated Anodyne C[C@]1(c2ccc(=N)[nH]c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578340 EG Annotated Anodyne C[C@@]1(c2ccc(=N)[nH]c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578341 EG Annotated Anodyne C[C@@]1(c2ccc(=N)[nH]c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578342 EG Annotated Anodyne C[C@]1(c2ccc(=N)[nH]c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578343 EG Annotated Anodyne Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578699 EG Annotated Anodyne Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578700 EG Annotated Anodyne Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578701 EG Annotated Anodyne Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578702 EG Annotated Anodyne C[C@@]1(c2cccnc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579093 EG Annotated Anodyne C[C@]1(c2cccnc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579094 EG Annotated Anodyne C[C@]1(c2cccnc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579095 EG Annotated Anodyne C[C@@]1(c2cccnc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579096 EG Annotated Anodyne Nc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579448 EG Annotated Anodyne Nc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579449 EG Annotated Anodyne Nc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579450 EG Annotated Anodyne Nc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579451 EG Annotated Anodyne C[C@@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579705 EG Annotated Anodyne C[C@@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579706 EG Annotated Anodyne C[C@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579707 EG Annotated Anodyne C[C@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579708 EG Annotated Anodyne CC(C)[C@H](N)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579748 EG Annotated Anodyne CC(C)[C@H](N)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579749 EG Annotated Anodyne CC(C)[C@H](N)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579750 EG Annotated Anodyne CC(C)[C@H](N)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579751 EG Annotated Anodyne C[C@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579818 EG Annotated Anodyne C[C@@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579819 EG Annotated Anodyne C[C@@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579820 EG Annotated Anodyne C[C@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579821 EG Annotated Anodyne CN1CCC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587579905 EG Annotated Anodyne CN1CCC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587579907 EG Annotated Anodyne CN1CCC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587579909 EG Annotated Anodyne CN1CCC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587579910 EG Annotated Anodyne CCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587579915 EG Annotated Anodyne CCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587579916 EG Annotated Anodyne CCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587579917 EG Annotated Anodyne CCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587579918 EG Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C ZINC000587580101 EG Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C ZINC000587580102 EG Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C ZINC000587580104 EG Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C ZINC000587580105 EG Annotated Anodyne Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587580420 EG Annotated Anodyne Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587580421 EG Annotated Anodyne Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587580422 EG Annotated Anodyne Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587580423 EG Annotated Anodyne C[C@@H]1CN(C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580715 EG Annotated Anodyne C[C@@H]1CN(C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580718 EG Annotated Anodyne C[C@@H]1CN(C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580721 EG Annotated Anodyne C[C@@H]1CN(C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580730 EG Annotated Anodyne CCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580784 EG Annotated Anodyne CCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580786 EG Annotated Anodyne CCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580788 EG Annotated Anodyne CCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580789 EG Annotated Anodyne CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587580826 EG Annotated Anodyne CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587580827 EG Annotated Anodyne CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587580828 EG Annotated Anodyne CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587580830 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCn1cccn1 ZINC000587580831 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCn1cccn1 ZINC000587580833 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCn1cccn1 ZINC000587580834 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCn1cccn1 ZINC000587580836 EG Annotated Anodyne C[C@]1(c2ncccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581725 EG Annotated Anodyne C[C@@]1(c2ncccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581726 EG Annotated Anodyne C[C@@]1(c2ncccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581727 EG Annotated Anodyne C[C@]1(c2ncccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581728 EG Annotated Anodyne C=CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581822 EG Annotated Mild C=CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581823 EG Annotated Mild C=CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581824 EG Annotated Mild C=CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581825 EG Annotated Mild C[C@@H]1C[C@@]2(CCN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581976 EG Annotated Anodyne C[C@@H]1C[C@]2(CCN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581977 EG Annotated Anodyne C[C@@H]1C[C@]2(CCN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581979 EG Annotated Anodyne C[C@@H]1C[C@@]2(CCN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581981 EG Annotated Anodyne CCN1C[C@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582484 EG Annotated Anodyne CCN1C[C@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582485 EG Annotated Anodyne CCN1C[C@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582486 EG Annotated Anodyne CCN1C[C@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582487 EG Annotated Anodyne Cn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587582588 EG Annotated Anodyne Cn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587582589 EG Annotated Anodyne Cn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587582590 EG Annotated Anodyne Cn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587582591 EG Annotated Anodyne Cn1nccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582624 EG Annotated Anodyne Cn1nccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582625 EG Annotated Anodyne Cn1nccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582626 EG Annotated Anodyne Cn1nccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582627 EG Annotated Anodyne CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582656 EG Annotated Anodyne CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582657 EG Annotated Anodyne Cc1cnn(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583392 EG Annotated Anodyne Cc1cnn(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583393 EG Annotated Anodyne Cc1cnn(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583394 EG Annotated Anodyne Cc1cnn(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583395 EG Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)n1 ZINC000587583690 EG Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)n1 ZINC000587583691 EG Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)n1 ZINC000587583692 EG Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)n1 ZINC000587583693 EG Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C ZINC000587583726 EG Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C ZINC000587583727 EG Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C ZINC000587583728 EG Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C ZINC000587583729 EG Annotated Anodyne CC(C)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583865 EG Annotated Anodyne CC(C)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583866 EG Annotated Anodyne CC(C)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583868 EG Annotated Anodyne CC(C)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583871 EG Annotated Anodyne Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587583982 EG Annotated Anodyne Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587583983 EG Annotated Anodyne Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587583984 EG Annotated Anodyne Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587583985 EG Annotated Anodyne C=Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587584246 EG Annotated Anodyne C=Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587584247 EG Annotated Anodyne C=Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587584248 EG Annotated Anodyne C=Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587584249 EG Annotated Anodyne Cc1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584255 EG Annotated Anodyne Cc1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584257 EG Annotated Anodyne Cc1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584258 EG Annotated Anodyne Cc1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584259 EG Annotated Anodyne CCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587584491 EG Annotated Anodyne CCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587584492 EG Annotated Anodyne CCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587584493 EG Annotated Anodyne CCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587584494 EG Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587584535 EG Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587584536 EG Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587584537 EG Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587584538 EG Annotated Anodyne CN1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584725 EG Annotated Anodyne CN1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584727 EG Annotated Anodyne CN1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584728 EG Annotated Anodyne CN1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584729 EG Annotated Anodyne C[C@]1(c2ccc(O)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584752 EG Annotated Anodyne C[C@@]1(c2ccc(O)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584755 EG Annotated Anodyne C[C@@]1(c2ccc(O)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584756 EG Annotated Anodyne C[C@]1(c2ccc(O)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584757 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)n1 ZINC000587584781 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)n1 ZINC000587584785 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)n1 ZINC000587584787 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)n1 ZINC000587584789 EG Annotated Anodyne N#Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587584791 EG Annotated Mild N#Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587584794 EG Annotated Mild N#Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587584796 EG Annotated Mild N#Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587584797 EG Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1ccnc12 ZINC000587584941 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=Cn1ccnc12 ZINC000587584942 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=Cn1ccnc12 ZINC000587584943 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1ccnc12 ZINC000587584944 EG Annotated Anodyne Cc1nccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585139 EG Annotated Anodyne Cc1nccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585142 EG Annotated Anodyne Cc1nccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585143 EG Annotated Anodyne Cc1nccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585145 EG Annotated Anodyne CCc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585194 EG Annotated Anodyne CCc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585196 EG Annotated Anodyne CCc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585197 EG Annotated Anodyne CCc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585198 EG Annotated Anodyne Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585207 EG Annotated Anodyne Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585209 EG Annotated Anodyne Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585211 EG Annotated Anodyne Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585212 EG Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587585271 EG Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587585275 EG Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587585276 EG Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587585278 EG Annotated Anodyne COc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585306 EG Annotated Anodyne COc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587585307 EG Annotated Anodyne COc1cncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585308 EG Annotated Anodyne COc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587585309 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCn1cccc12 ZINC000587585336 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCn1cccc12 ZINC000587585337 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCn1cccc12 ZINC000587585338 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCn1cccc12 ZINC000587585339 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1O ZINC000587585344 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1O ZINC000587585345 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1O ZINC000587585346 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1O ZINC000587585347 EG Annotated Anodyne C[C@@]1(c2cncnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585416 EG Annotated Anodyne C[C@@]1(c2cncnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585419 EG Annotated Anodyne C[C@]1(c2cncnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585421 EG Annotated Anodyne C[C@]1(c2cncnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585422 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1O ZINC000587585425 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1O ZINC000587585427 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1O ZINC000587585428 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1O ZINC000587585430 EG Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585457 EG Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585458 EG Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585460 EG Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585462 EG Annotated Anodyne COc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585497 EG Annotated Anodyne COc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585498 EG Annotated Anodyne COc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585500 EG Annotated Anodyne COc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585501 EG Annotated Anodyne C[C@]1(c2ccnc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585502 EG Annotated Anodyne C[C@@]1(c2ccnc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585503 EG Annotated Anodyne C[C@@]1(c2ccnc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585504 EG Annotated Anodyne C[C@]1(c2ccnc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585505 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc(O)c1 ZINC000587585559 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc(O)c1 ZINC000587585560 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(O)c1 ZINC000587585561 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(O)c1 ZINC000587585562 EG Annotated Anodyne COc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585569 EG Annotated Anodyne COc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585570 EG Annotated Anodyne COc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585571 EG Annotated Anodyne COc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585572 EG Annotated Anodyne Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587585625 EG Annotated Anodyne Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587585626 EG Annotated Anodyne Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587585627 EG Annotated Anodyne Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587585628 EG Annotated Anodyne COc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585699 EG Annotated Anodyne COc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585700 EG Annotated Anodyne COc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585701 EG Annotated Anodyne COc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585702 EG Annotated Anodyne C[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585785 EG Annotated Anodyne C[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585786 EG Annotated Anodyne C[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585787 EG Annotated Anodyne C[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585788 EG Annotated Anodyne Cc1nccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585903 EG Annotated Anodyne Cc1nccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585904 EG Annotated Anodyne Cc1nccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585905 EG Annotated Anodyne Cc1nccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585906 EG Annotated Anodyne N#CC[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586013 EG Annotated Mild N#CC[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586017 EG Annotated Mild N#CC[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586018 EG Annotated Mild N#CC[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586020 EG Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587586525 EG Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587586527 EG Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587586528 EG Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587586531 EG Annotated Mild Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587586613 EG Annotated Anodyne Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587586615 EG Annotated Anodyne Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587586617 EG Annotated Anodyne Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587586618 EG Annotated Anodyne Cc1n[nH]c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586788 EG Annotated Anodyne Cc1n[nH]c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586793 EG Annotated Anodyne Cc1n[nH]c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586794 EG Annotated Anodyne Cc1n[nH]c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586796 EG Annotated Anodyne Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587586935 EG Annotated Anodyne Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587586936 EG Annotated Anodyne Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587586937 EG Annotated Anodyne Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587586938 EG Annotated Anodyne C[C@@]1(c2ccnnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586955 EG Annotated Anodyne C[C@@]1(c2ccnnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586956 EG Annotated Anodyne C[C@]1(c2ccnnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586957 EG Annotated Anodyne C[C@]1(c2ccnnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586958 EG Annotated Anodyne C[C@]1(c2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586975 EG Annotated Anodyne C[C@@]1(c2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586976 EG Annotated Anodyne C[C@@]1(c2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586977 EG Annotated Anodyne C[C@]1(c2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586978 EG Annotated Anodyne COc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587311 EG Annotated Anodyne COc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587312 EG Annotated Anodyne COc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587314 EG Annotated Anodyne COc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587315 EG Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c1C ZINC000587587356 EG Annotated Anodyne Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c1C ZINC000587587357 EG Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c1C ZINC000587587358 EG Annotated Anodyne Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c1C ZINC000587587359 EG Annotated Anodyne C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587587417 EG Annotated Mild C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587587418 EG Annotated Mild C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587587419 EG Annotated Mild C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587587420 EG Annotated Mild Cc1ncncc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587607 EG Annotated Anodyne Cc1ncncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587609 EG Annotated Anodyne Cc1ncncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587610 EG Annotated Anodyne Cc1ncncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587612 EG Annotated Anodyne C[C@]1(Cc2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587647 EG Annotated Anodyne C[C@@]1(Cc2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587649 EG Annotated Anodyne C[C@@]1(Cc2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587651 EG Annotated Anodyne C[C@]1(Cc2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587653 EG Annotated Anodyne Cc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587588076 EG Annotated Anodyne Cc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587588078 EG Annotated Anodyne Cc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587588079 EG Annotated Anodyne Cc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587588081 EG Annotated Anodyne C[C@@]1(c2cccnn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588082 EG Annotated Anodyne C[C@@]1(c2cccnn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588084 EG Annotated Anodyne C[C@]1(c2cccnn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588085 EG Annotated Anodyne C[C@]1(c2cccnn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588087 EG Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587588186 EG Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587588188 EG Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587588190 EG Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587588191 EG Annotated Anodyne C[C@@]1(c2ccncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588265 EG Annotated Anodyne C[C@@]1(c2ccncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588266 EG Annotated Anodyne C[C@]1(c2ccncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588267 EG Annotated Anodyne C[C@]1(c2ccncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588268 EG Annotated Anodyne O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587588412 EG Annotated Anodyne O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587588413 EG Annotated Anodyne O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587588414 EG Annotated Anodyne O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587588415 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCn1cncc12 ZINC000587588442 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCn1cncc12 ZINC000587588444 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCn1cncc12 ZINC000587588446 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCn1cncc12 ZINC000587588447 EG Annotated Anodyne N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587588726 EG Annotated Mild N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587588729 EG Annotated Mild N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587588730 EG Annotated Mild N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587588731 EG Annotated Mild N#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587588747 EG Annotated Mild N#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587588749 EG Annotated Mild N#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587588752 EG Annotated Mild N#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587588753 EG Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587588830 EG Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587588831 EG Annotated Mild N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587588832 EG Annotated Mild N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587588833 EG Annotated Mild Cc1n[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588985 EG Annotated Anodyne Cc1n[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588989 EG Annotated Anodyne Cc1n[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588991 EG Annotated Anodyne Cc1n[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588993 EG Annotated Anodyne Cc1nccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589124 EG Annotated Anodyne Cc1nccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589126 EG Annotated Anodyne Cc1nccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589127 EG Annotated Anodyne Cc1nccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589129 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)nc1 ZINC000587589147 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)nc1 ZINC000587589149 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)nc1 ZINC000587589151 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)nc1 ZINC000587589153 EG Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1 ZINC000587589251 EG Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1 ZINC000587589252 EG Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1 ZINC000587589253 EG Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1 ZINC000587589254 EG Annotated Anodyne Cc1cnc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587589302 EG Annotated Anodyne Cc1cnc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1 ZINC000587589304 EG Annotated Anodyne Cc1cnc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587589306 EG Annotated Anodyne Cc1cnc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1 ZINC000587589307 EG Annotated Anodyne CC[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589389 EG Annotated Anodyne CC[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589391 EG Annotated Anodyne CC[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589393 EG Annotated Anodyne CC[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589395 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(O)c1 ZINC000587589423 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(O)c1 ZINC000587589424 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(O)c1 ZINC000587589426 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(O)c1 ZINC000587589427 EG Annotated Anodyne N#Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587589543 EG Annotated Mild N#Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587589544 EG Annotated Mild N#Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587589545 EG Annotated Mild N#Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587589546 EG Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cn1 ZINC000587589661 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cn1 ZINC000587589662 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cn1 ZINC000587589663 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cn1 ZINC000587589664 EG Annotated Anodyne C[C@]1(Cc2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590021 EG Annotated Anodyne C[C@@]1(Cc2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590023 EG Annotated Anodyne C[C@@]1(Cc2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590024 EG Annotated Anodyne C[C@]1(Cc2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590026 EG Annotated Anodyne COc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590153 EG Annotated Anodyne COc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590155 EG Annotated Anodyne COc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590158 EG Annotated Anodyne COc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590160 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1O ZINC000587590238 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1O ZINC000587590243 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1O ZINC000587590427 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1O ZINC000587590428 EG Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587590509 EG Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587590511 EG Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587590513 EG Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587590515 EG Annotated Anodyne C[C@]1(c2ccc(O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590880 EG Annotated Anodyne C[C@@]1(c2ccc(O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590881 EG Annotated Anodyne C[C@@]1(c2ccc(O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590882 EG Annotated Anodyne C[C@]1(c2ccc(O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590883 EG Annotated Anodyne COC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591153 EG Annotated Anodyne COC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591168 EG Annotated Anodyne COC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591169 EG Annotated Anodyne COC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591171 EG Annotated Anodyne C[C@]1([C@@H]2CCCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591345 EG Annotated Anodyne C[C@]1([C@H]2CCCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591377 EG Annotated Anodyne C[C@]1([C@H]2CCCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591379 EG Annotated Anodyne C[C@]1([C@@H]2CCCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591381 EG Annotated Anodyne COCC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591799 EG Annotated Anodyne COCC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591801 EG Annotated Anodyne COCC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591803 EG Annotated Anodyne COCC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591806 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1 ZINC000587591936 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1 ZINC000587591939 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CC[C@H]2N1 ZINC000587592857 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]1CC[C@H]2N1 ZINC000587592858 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]1CC[C@H]2N1 ZINC000587592859 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CC[C@H]2N1 ZINC000587592860 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COCc1[nH]ccc12 ZINC000587592959 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COCc1[nH]ccc12 ZINC000587592962 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COCc1[nH]ccc12 ZINC000587592964 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COCc1[nH]ccc12 ZINC000587592967 EG Annotated Anodyne CC(=O)O[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593275 EG Annotated Anodyne CC(=O)O[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593277 EG Annotated Anodyne CC(=O)O[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593279 EG Annotated Anodyne CC(=O)O[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593280 EG Annotated Anodyne CC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593645 EG Annotated Anodyne CC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593646 EG Annotated Anodyne CC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593649 EG Annotated Anodyne CC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593650 EG Annotated Anodyne COC(C)(OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594122 EG Annotated Anodyne COC(C)(OC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594124 EG Annotated Anodyne COC(C)(OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594126 EG Annotated Anodyne COC(C)(OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594128 EG Annotated Anodyne COC(C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587594441 EG Annotated Anodyne COC(C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587594442 EG Annotated Anodyne COC(C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587594443 EG Annotated Anodyne COC(C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587594445 EG Annotated Anodyne COC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594660 EG Annotated Anodyne COC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594661 EG Annotated Anodyne COC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594663 EG Annotated Anodyne COC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594665 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1n[nH]cc12 ZINC000587595144 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1n[nH]cc12 ZINC000587595145 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1n[nH]cc12 ZINC000587595146 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1n[nH]cc12 ZINC000587595147 EG Annotated Anodyne CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n[nH]1 ZINC000587595339 EG Annotated Anodyne CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n[nH]1 ZINC000587595345 EG Annotated Anodyne CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n[nH]1 ZINC000587595347 EG Annotated Anodyne CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n[nH]1 ZINC000587595349 EG Annotated Anodyne CC[C@@]1(c2cn[nH]c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595891 EG Annotated Anodyne CC[C@@]1(c2cn[nH]c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595892 EG Annotated Anodyne CC[C@]1(c2cn[nH]c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595893 EG Annotated Anodyne CC[C@]1(c2cn[nH]c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595894 EG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587597092 EG Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587597094 EG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587597097 EG Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587597101 EG Annotated Anodyne CCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597243 EG Annotated Anodyne CCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597244 EG Annotated Anodyne CCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597245 EG Annotated Anodyne CCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597246 EG Annotated Anodyne CC1(C)CNCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587597474 EG Annotated Anodyne CC1(C)CNCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587597475 EG Annotated Anodyne CC1(C)CNCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587597476 EG Annotated Anodyne CC1(C)CNCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587597477 EG Annotated Anodyne COC[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597796 EG Annotated Anodyne COC[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597798 EG Annotated Anodyne COC[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597800 EG Annotated Anodyne COC[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597803 EG Annotated Anodyne COC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597818 EG Annotated Anodyne COC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597819 EG Annotated Anodyne COC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597821 EG Annotated Anodyne COC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597823 EG Annotated Anodyne CCN1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598199 EG Annotated Anodyne CCN1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598200 EG Annotated Anodyne CCN1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598201 EG Annotated Anodyne CCN1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598202 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c[nH]nc12 ZINC000587598375 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c[nH]nc12 ZINC000587598378 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c[nH]nc12 ZINC000587598379 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c[nH]nc12 ZINC000587598381 EG Annotated Anodyne C[C@]1([C@@H]2CCCCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598400 EG Annotated Anodyne C[C@]1([C@H]2CCCCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598404 EG Annotated Anodyne C[C@]1([C@H]2CCCCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598407 EG Annotated Anodyne C[C@]1([C@@H]2CCCCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598408 EG Annotated Anodyne CCOC(=O)[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599707 EG Annotated Anodyne CCOC(=O)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599708 EG Annotated Anodyne CCOC(=O)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599709 EG Annotated Anodyne CCOC(=O)[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599710 EG Annotated Anodyne CC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599987 EG Annotated Anodyne CC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599988 EG Annotated Anodyne CC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599989 EG Annotated Anodyne CC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599990 EG Annotated Anodyne C=CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600167 EG Annotated Mild C=CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600168 EG Annotated Mild C=CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600169 EG Annotated Mild C=CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600170 EG Annotated Mild C[C@H]1C[C@@H](C)C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600423 EG Annotated Anodyne C[C@H]1C[C@@H](C)C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600424 EG Annotated Anodyne C[C@H]1C[C@@H](C)C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600425 EG Annotated Anodyne C[C@H]1C[C@@H](C)C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600426 EG Annotated Anodyne C[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587600455 EG Annotated Anodyne C[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587600456 EG Annotated Anodyne C[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587600457 EG Annotated Anodyne C[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587600458 EG Annotated Anodyne C[C@@]1(CCCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600592 EG Annotated Mild C[C@@]1(CCCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600593 EG Annotated Mild C[C@]1(CCCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600595 EG Annotated Mild C[C@]1(CCCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600597 EG Annotated Mild CCC(=O)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600647 EG Annotated Anodyne CCC(=O)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600648 EG Annotated Anodyne CCC(=O)[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600650 EG Annotated Anodyne CCC(=O)[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600651 EG Annotated Anodyne CCCC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600893 EG Annotated Anodyne CCCC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600895 EG Annotated Anodyne CCCC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600896 EG Annotated Anodyne CCCC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600898 EG Annotated Anodyne CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601086 EG Annotated Anodyne CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601087 EG Annotated Anodyne CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601088 EG Annotated Anodyne CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601089 EG Annotated Anodyne C[C@H]1[C@H](C)CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601373 EG Annotated Anodyne C[C@H]1[C@H](C)CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601374 EG Annotated Anodyne C[C@@H]1CC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1C ZINC000587601375 EG Annotated Anodyne C[C@@H]1CC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1C ZINC000587601376 EG Annotated Anodyne O=C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601478 EG Annotated Mild O=C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601479 EG Annotated Mild O=C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601480 EG Annotated Mild O=C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601481 EG Annotated Mild CC[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587601651 EG Annotated Anodyne CC[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587601652 EG Annotated Anodyne CC[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587601653 EG Annotated Anodyne CC[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587601654 EG Annotated Anodyne C[C@@H]1CCC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587601706 EG Annotated Anodyne C[C@@H]1CCC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587601707 EG Annotated Anodyne CC(=O)CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601786 EG Annotated Anodyne CC(=O)CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601787 EG Annotated Anodyne CC(=O)CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601788 EG Annotated Anodyne CC(=O)CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601789 EG Annotated Anodyne C[C@@H]1CCC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587601812 EG Annotated Anodyne C[C@@H]1CCC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587601814 EG Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601948 EG Annotated Anodyne C[C@H](CC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601950 EG Annotated Anodyne C[C@H](CC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601951 EG Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601952 EG Annotated Anodyne CCOC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587602434 EG Annotated Anodyne CCOC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587602435 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COC1CCC1 ZINC000587602527 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COC1CCC1 ZINC000587602528 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COC1CCC1 ZINC000587602529 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COC1CCC1 ZINC000587602530 EG Annotated Anodyne CC[C@H](C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602662 EG Annotated Anodyne CC[C@H](C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602664 EG Annotated Anodyne CC[C@H](C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602665 EG Annotated Anodyne CC[C@H](C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602667 EG Annotated Anodyne CC[C@@H]1CCC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603285 EG Annotated Anodyne CC[C@@H]1CCC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603287 EG Annotated Anodyne CC[C@@H]1CCC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603289 EG Annotated Anodyne CC[C@@H]1CCC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603290 EG Annotated Anodyne C[C@@H]1CCCC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603938 EG Annotated Anodyne C[C@@H]1CCCC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603939 EG Annotated Anodyne C[C@@H]1CCCC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603940 EG Annotated Anodyne C[C@@H]1CCCC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603941 EG Annotated Anodyne CC(C)(C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604252 EG Annotated Anodyne CC(C)(C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604254 EG Annotated Anodyne CC(C)(C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604256 EG Annotated Anodyne CC(C)(C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604258 EG Annotated Anodyne C[C@@H]1C(=O)[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604324 EG Annotated Anodyne C[C@@H]1C(=O)[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604325 EG Annotated Anodyne C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@@H]1C ZINC000587604326 EG Annotated Anodyne C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@@H]1C ZINC000587604327 EG Annotated Anodyne O=C1C[C@@H]2C[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604484 EG Annotated Anodyne O=C1C[C@@H]2C[C@H]1C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604485 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@@H]2CC1=O ZINC000587604486 EG Annotated Anodyne O=C1C[C@H]2C[C@@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604487 EG Annotated Anodyne O=C1C[C@H]2C[C@@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604488 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1C[C@@H]2CC1=O ZINC000587604489 EG Annotated Anodyne O=C1C[C@@H]2C[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604490 EG Annotated Anodyne O=C1C[C@@H]2C[C@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604491 EG Annotated Anodyne CCC[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604871 EG Annotated Anodyne CCC[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604872 EG Annotated Anodyne CCC[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604873 EG Annotated Anodyne CCC[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604874 EG Annotated Anodyne CC(C)C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605004 EG Annotated Anodyne CC(C)C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605005 EG Annotated Anodyne CC(C)C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605006 EG Annotated Anodyne CC(C)C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605007 EG Annotated Anodyne C[C@@]1(CCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605022 EG Annotated Anodyne C[C@@]1(CCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605023 EG Annotated Anodyne C[C@]1(CCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605024 EG Annotated Anodyne C[C@]1(CCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605025 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=CC=CC2=O ZINC000587605124 EG Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=CC=CC2=O ZINC000587605129 EG Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=CC=CC2=O ZINC000587605130 EG Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=CC=CC2=O ZINC000587605131 EG Annotated Mild CC[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605144 EG Annotated Anodyne CC[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605145 EG Annotated Anodyne CC[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605147 EG Annotated Anodyne CC[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605149 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)O1 ZINC000587605741 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)O1 ZINC000587605744 EG Annotated Anodyne C[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605863 EG Annotated Anodyne C[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605864 EG Annotated Anodyne C[C@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605865 EG Annotated Anodyne C[C@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605866 EG Annotated Anodyne C[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605867 EG Annotated Anodyne C[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605868 EG Annotated Anodyne C[C@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605869 EG Annotated Anodyne C[C@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605870 EG Annotated Anodyne C[C@@H]1C[C@]2(CC[C@@H]1O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606737 EG Annotated Anodyne C[C@@H]1C[C@]2(CC[C@H]1O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606738 EG Annotated Anodyne C[C@@H]1C[C@]2(CC[C@@H]1O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606739 EG Annotated Anodyne C[C@@H]1C[C@]2(CC[C@H]1O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606740 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](CO)C2 ZINC000587607039 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](CO)C2 ZINC000587607040 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](CO)C2 ZINC000587607041 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](CO)C2 ZINC000587607042 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOCC2 ZINC000587607105 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOCC2 ZINC000587607106 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOCC2 ZINC000587607107 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOCC2 ZINC000587607108 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCOCC1 ZINC000587608114 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCOCC1 ZINC000587608115 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCOCC1 ZINC000587608116 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCOCC1 ZINC000587608117 EG Annotated Anodyne C[C@@]1(CCCCO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608250 EG Annotated Anodyne C[C@@]1(CCCCO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608251 EG Annotated Anodyne C[C@]1(CCCCO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608252 EG Annotated Anodyne C[C@]1(CCCCO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608253 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1OCCC[C@H]12 ZINC000587608401 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1OCCC[C@@H]12 ZINC000587608402 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1OCCC[C@H]12 ZINC000587608403 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1OCCC[C@@H]12 ZINC000587608404 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@H]1C=C[C@@H](C2)O1 ZINC000587608602 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@H]1C=C[C@@H](C2)O1 ZINC000587608605 EG Annotated Anodyne C[C@@]1(C2=COCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609106 EG Annotated Anodyne C[C@@]1(C2=COCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609111 EG Annotated Anodyne C[C@]1(C2=COCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609112 EG Annotated Anodyne C[C@]1(C2=COCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609113 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(CO)CC2 ZINC000587609240 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(CO)CC2 ZINC000587609241 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccccc1 ZINC000587610025 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccccc1 ZINC000587610026 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccccc1 ZINC000587610028 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccccc1 ZINC000587610029 EG Annotated Anodyne C[C@@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610249 EG Annotated Anodyne C[C@@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610251 EG Annotated Anodyne C[C@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610255 EG Annotated Anodyne C[C@@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610258 EG Annotated Anodyne C[C@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610261 EG Annotated Anodyne C[C@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610264 EG Annotated Anodyne C[C@@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610265 EG Annotated Anodyne C[C@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610269 EG Annotated Anodyne C[C@]1(C2(O)CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611357 EG Annotated Anodyne C[C@]1(C2(O)CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611359 EG Annotated Anodyne C[C@@]1(C2(O)CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611361 EG Annotated Anodyne C[C@@]1(C2(O)CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611363 EG Annotated Anodyne C[C@@H](O)CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612850 EG Annotated Anodyne C[C@H](O)CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612851 EG Annotated Anodyne C[C@H](O)CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612852 EG Annotated Anodyne C[C@@H](O)CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612853 EG Annotated Anodyne C[C@@H](O)CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612854 EG Annotated Anodyne C[C@@H](O)CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612855 EG Annotated Anodyne C[C@H](O)CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612856 EG Annotated Anodyne C[C@H](O)CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612857 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(O)CC2 ZINC000587613297 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(O)CC2 ZINC000587613298 EG Annotated Anodyne C[C@]12CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]1O2 ZINC000587613431 EG Annotated Anodyne C[C@]12CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]1O2 ZINC000587613432 EG Annotated Anodyne C[C@]12CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]1O2 ZINC000587613433 EG Annotated Anodyne C[C@]12CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]1O2 ZINC000587613435 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCOC1 ZINC000587615802 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCCOC1 ZINC000587615803 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCCOC1 ZINC000587615804 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCCOC1 ZINC000587615805 EG Annotated Anodyne C[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616407 EG Annotated Anodyne C[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616408 EG Annotated Anodyne C[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616409 EG Annotated Anodyne C[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616410 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)s1 ZINC000587616794 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)s1 ZINC000587616795 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)s1 ZINC000587616796 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)s1 ZINC000587616797 EG Annotated Anodyne C[C@@]1(CC2COC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616833 EG Annotated Anodyne C[C@@]1(CC2COC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616834 EG Annotated Anodyne C[C@]1(CC2COC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616835 EG Annotated Anodyne C[C@]1(CC2COC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616836 EG Annotated Anodyne C[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617073 EG Annotated Anodyne C[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617074 EG Annotated Anodyne C[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617075 EG Annotated Anodyne C[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617076 EG Annotated Anodyne CC1(C)O[C@@H]1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617077 EG Annotated Anodyne CC1(C)O[C@@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617078 EG Annotated Anodyne CC1(C)O[C@@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617079 EG Annotated Anodyne CC1(C)O[C@@H]1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617080 EG Annotated Anodyne Cc1nnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587617134 EG Annotated Anodyne Cc1nnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587617138 EG Annotated Anodyne Cc1nnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587617139 EG Annotated Anodyne Cc1nnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587617140 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCSC1 ZINC000587617141 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCSC1 ZINC000587617142 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCSC1 ZINC000587617144 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCSC1 ZINC000587617146 EG Annotated Anodyne CC1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 ZINC000587617415 EG Annotated Anodyne CC1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 ZINC000587617416 EG Annotated Anodyne CC1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 ZINC000587617418 EG Annotated Anodyne CC1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 ZINC000587617419 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CO)o1 ZINC000587617465 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CO)o1 ZINC000587617466 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CO)o1 ZINC000587617467 EG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CO)o1 ZINC000587617468 EG Annotated Anodyne C[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618338 EG Annotated Anodyne C[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618339 EG Annotated Anodyne C[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618340 EG Annotated Anodyne C[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618341 EG Annotated Anodyne C[C@@]1(c2cnns2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619146 EG Annotated Anodyne C[C@]1(c2cnns2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619147 EG Annotated Anodyne C[C@]1(c2cnns2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619148 EG Annotated Anodyne C[C@@]1(c2cnns2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619149 EG Annotated Anodyne CCC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 ZINC000587619358 EG Annotated Anodyne CCC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 ZINC000587619360 EG Annotated Anodyne CCC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1 ZINC000587619362 EG Annotated Anodyne CCC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1 ZINC000587619364 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCCO1 ZINC000587619550 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCCCO1 ZINC000587619552 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCCCO1 ZINC000587619553 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCCCO1 ZINC000587619554 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@H]1CCOC1 ZINC000587619719 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@H]1CCOC1 ZINC000587619720 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@@H]1CCOC1 ZINC000587619721 EG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@@H]1CCOC1 ZINC000587619722 EG Annotated Anodyne C[C@@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620538 EG Annotated Anodyne C[C@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620539 EG Annotated Anodyne C[C@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620540 EG Annotated Anodyne C[C@@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620543 EG Annotated Anodyne Cc1nnsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620629 EG Annotated Anodyne Cc1nnsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620631 EG Annotated Anodyne Cc1nnsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587620633 EG Annotated Anodyne Cc1nnsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587620635 EG Annotated Anodyne CC(=O)Oc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621059 EG Annotated Reactive COC(=O)c1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621689 EG Annotated Reactive COC(=O)[C@@H](F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C ZINC000587622968 EG Annotated Anodyne COC(=O)[C@H](F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C ZINC000587622970 EG Annotated Anodyne CC(=O)NC(C)(C)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623064 EG Annotated Anodyne Brc1cc2n[nH]cc2c2[nH]c(C3CC3)c(-n3cncn3)c12 ZINC000587623218 EG Annotated Anodyne CC(=O)N(C(C)=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623296 EG Annotated Anodyne N#Cc1c([C@@H]2CCOC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623298 EG Annotated Mild N#Cc1c([C@H]2CCOC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623303 EG Annotated Mild COc1c(-c2ccnn2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623368 EG Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cn1cccn1 ZINC000587623383 EG Annotated Anodyne Cc1noc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623510 EG Annotated Anodyne Cn1ccnc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C#N ZINC000587623534 EG Annotated Mild Cc1cc(Cl)cc2c(S(=O)(=O)N(C)C)c(C(F)(F)F)[nH]c12 ZINC000587624485 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2c(C)cc(Cl)cc12 ZINC000587625126 EG Annotated Anodyne NCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(=O)O ZINC000587625800 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2c(C)cc(Cl)cc12 ZINC000587625978 EG Annotated Anodyne CCn1nccc1-c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(=O)OC ZINC000587626021 EG Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cc(C)on1 ZINC000587626175 EG Annotated Anodyne CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(=O)OC)cn1 ZINC000587626867 EG Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cnn(C)c1C ZINC000587626949 EG Annotated Anodyne Cc1cc(Cl)cc2c([C@H](N)C(=O)O)c(-c3cccc(O)c3N)[nH]c12 ZINC000587627217 EG Annotated Anodyne Cc1cc(Cl)cc2c([C@@H](N)C(=O)O)c(-c3cccc(O)c3N)[nH]c12 ZINC000587627221 EG Annotated Anodyne CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2c(C)cc(Cl)cc12 ZINC000587627232 EG Annotated Anodyne CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3c(C)cc(Cl)cc23)n1 ZINC000587627248 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2c(C)cc(Cl)cc12 ZINC000587627297 EG Annotated Anodyne CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3c(C)cc(Cl)cc23)cn1 ZINC000587627379 EG Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cn(C)nc1C ZINC000587627397 EG Annotated Anodyne Cc1cc(Cl)cc2c(N3CCOCC3)c(-c3cnn(C)c3)[nH]c12 ZINC000587627434 EG Annotated Anodyne CCn1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(=O)OC)n1 ZINC000587627501 EG Annotated Anodyne Cc1cc(Cl)cc2c([C@H](N)C(=O)O)c(-c3ccccc3N)[nH]c12 ZINC000587627512 EG Annotated Anodyne Cc1cc(Cl)cc2c([C@@H](N)C(=O)O)c(-c3ccccc3N)[nH]c12 ZINC000587627513 EG Annotated Anodyne CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587630040 EG Annotated Anodyne CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587630051 EG Annotated Anodyne Nc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1[C@H](N)C(=O)O ZINC000587631147 EG Annotated Anodyne Nc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1[C@@H](N)C(=O)O ZINC000587631150 EG Annotated Anodyne CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3cc(Cl)c(F)cc23)cn1 ZINC000587631365 EG Annotated Anodyne CCn1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(=O)OC)n1 ZINC000587631388 EG Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cn(C)nc1C ZINC000587631515 EG Annotated Anodyne CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(=O)OC)cn1 ZINC000587631518 EG Annotated Anodyne CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2cc(Cl)c(F)cc12 ZINC000587631528 EG Annotated Anodyne CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2ccc(F)c(Cl)c12 ZINC000587631550 EG Annotated Anodyne Nc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1[C@H](N)C(=O)O ZINC000587631616 EG Annotated Anodyne Nc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1[C@@H](N)C(=O)O ZINC000587631617 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631665 EG Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cnn(C)c1C ZINC000587631728 EG Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cn(C)nc1C ZINC000587631729 EG Annotated Anodyne CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3ccc(F)c(Cl)c23)n1 ZINC000587631914 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2cc(Cl)c(F)cc12 ZINC000587631918 EG Annotated Anodyne CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3ccc(F)c(Cl)c23)cn1 ZINC000587631962 EG Annotated Anodyne CCn1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(=O)OC)n1 ZINC000587631964 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632012 EG Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cccnc1 ZINC000587632064 EG Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cnn(C)c1C ZINC000587632124 EG Annotated Anodyne CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(=O)OC)cn1 ZINC000587632173 EG Annotated Anodyne Cn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCOCC2)cn1 ZINC000587632176 EG Annotated Anodyne Cn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCOCC2)cn1 ZINC000587632196 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632203 EG Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccncc1 ZINC000587632233 EG Annotated Anodyne CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3cc(Cl)c(F)cc23)n1 ZINC000587632316 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2ccc(F)c(Cl)c12 ZINC000587632352 EG Annotated Anodyne CCn1nccc1-c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(=O)OC ZINC000587632405 EG Annotated Anodyne CCn1nccc1-c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(=O)OC ZINC000587632415 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2cc(Cl)c(F)cc12 ZINC000587632508 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587632608 EG Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cc(C)on1 ZINC000587632794 EG Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cc(C)on1 ZINC000587632978 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2cc(Cl)c(F)cc12 ZINC000587633053 EG Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cccnc1 ZINC000587633142 EG Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccncc1 ZINC000587633176 EG Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1[C@](O)(c1nccn1C)C(F)(F)F ZINC000587633648 EG Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1[C@@](O)(c1nccn1C)C(F)(F)F ZINC000587633656 EG Annotated Anodyne Cc1[nH]c2cccc(F)c2c1[C@](O)(c1nccn1C)C(F)(F)F ZINC000587633854 EG Annotated Anodyne Cc1[nH]c2cccc(F)c2c1[C@@](O)(c1nccn1C)C(F)(F)F ZINC000587633855 EG Annotated Anodyne COC(=O)Cc1[nH]c2cccc(F)c2c1CNC(=O)OC(C)(C)C ZINC000587634619 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2cccc(F)c12 ZINC000587634735 EG Annotated Anodyne CC(=O)Nc1ccc(O)c(-c2[nH]c3cc(F)ccc3c2CC(=O)O)c1 ZINC000587634853 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2cc(F)ccc12 ZINC000587634861 EG Annotated Anodyne CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2cccc(F)c12 ZINC000587635105 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cccc(F)c12 ZINC000587635222 EG Annotated Bother COC(=O)Cc1[nH]c2cc(F)ccc2c1CNC(=O)OC(C)(C)C ZINC000587635436 EG Annotated Anodyne CCn1ncc(-c2[nH]c3cccc(F)c3c2N2CCOCC2)c1C ZINC000587635480 EG Annotated Anodyne Cc1nn(C)c(C)c1-c1[nH]c2cc(F)ccc2c1N1CCOCC1 ZINC000587635492 EG Annotated Anodyne CCn1ncc(-c2[nH]c3cc(F)ccc3c2N2CCOCC2)c1C ZINC000587635516 EG Annotated Anodyne COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2cc(F)ccc12 ZINC000587635608 EG Annotated Anodyne CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3cccc(F)c23)c1C ZINC000587635688 EG Annotated Anodyne CCn1cc(-c2[nH]c3cc(F)ccc3c2N2CCOCC2)c(C)n1 ZINC000587635726 EG Annotated Anodyne COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccccc1[N+](=O)[O-] ZINC000587635757 EG Annotated Bother COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2cccc(F)c12 ZINC000587635766 EG Annotated Anodyne Cc1nn(C)c(C)c1-c1[nH]c2cccc(F)c2c1N1CCOCC1 ZINC000587635850 EG Annotated Anodyne CC(=O)Nc1ccc(O)c(-c2[nH]c3cccc(F)c3c2CC(=O)O)c1 ZINC000587635987 EG Annotated Anodyne CCn1nc(C)c(-c2[nH]c3cccc(F)c3c2C(=O)C(=O)OC)c1C ZINC000587636032 EG Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(F)ccc12 ZINC000587636107 EG Annotated Bother CCn1cc(-c2[nH]c3cccc(F)c3c2N2CCOCC2)c(C)n1 ZINC000587636156 EG Annotated Anodyne COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccccc1[N+](=O)[O-] ZINC000587636369 EG Annotated Bother O=C(O)Cc1c(-c2cc(F)ccc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587637041 EG Annotated Anodyne COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CC(=O)O)cc1F ZINC000587637094 EG Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccc1F ZINC000587637203 EG Annotated Anodyne CCOC(=O)c1c([C@@H](C)Br)[nH]c2c(C(=O)O)cccc12 ZINC000587637269 EG Annotated Reactive CCOC(=O)c1c([C@H](C)Br)[nH]c2c(C(=O)O)cccc12 ZINC000587637270 EG Annotated Reactive Cc1nn(C)cc1-c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)F ZINC000587637328 EG Annotated Anodyne COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637357 EG Annotated Anodyne CCn1cc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)cn1 ZINC000587637412 EG Annotated Anodyne CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637444 EG Annotated Bother Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)NCc1ccc(F)cc1 ZINC000587637577 EG Annotated Anodyne O=C(O)Cc1c(-c2ccc(F)cc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587637595 EG Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)Br ZINC000587637650 EG Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(F)cc1 ZINC000587637666 EG Annotated Anodyne O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2c(C(=O)O)cccc12 ZINC000587637681 EG Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1-n1cc(C(F)(F)F)ccc1=O ZINC000587637738 EG Annotated Anodyne COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccccc1F ZINC000587637748 EG Annotated Anodyne CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2c(C(=O)O)cccc12 ZINC000587637756 EG Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637887 EG Annotated Anodyne Cc1c(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)cnn1C ZINC000587637901 EG Annotated Anodyne Cc1c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)cnn1C ZINC000587637903 EG Annotated Anodyne COC(=O)c1c(Cc2ccccc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587637937 EG Annotated Anodyne CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2c(C(=O)O)cccc12 ZINC000587638028 EG Annotated Anodyne O=C(O)Cc1c(-c2ccc(F)c(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587638053 EG Annotated Anodyne Cn1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)n1 ZINC000587638091 EG Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2c(C(=O)O)cccc2c1CCC=O ZINC000587638126 EG Annotated Mild Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(N(C)C)cc1 ZINC000587638139 EG Annotated Anodyne O=C(O)Cc1c(-c2cc(F)cc(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587638270 EG Annotated Anodyne O=C(O)c1cccc2c(-n3cncn3)c(-c3ccc(F)cc3F)[nH]c12 ZINC000587638285 EG Annotated Anodyne CS(=O)(=O)c1c(-c2cccc(F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587638313 EG Annotated Anodyne CCOC(=O)CCc1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638388 EG Annotated Anodyne COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638477 EG Annotated Anodyne CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)cn1 ZINC000587638485 EG Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]1c1[nH]c2c(C(=O)O)cccc2c1C#N ZINC000587638713 EG Annotated Mild CC(C)(C)OC(=O)N1CC[C@H]1c1[nH]c2c(C(=O)O)cccc2c1C#N ZINC000587638714 EG Annotated Mild Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000587638741 EG Annotated Anodyne Cn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cn1 ZINC000587638785 EG Annotated Anodyne O=C(O)c1cccc2c(-n3nnc4ccccc43)c(CCl)[nH]c12 ZINC000587639088 EG Annotated Reactive CCn1cc(Cl)c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)OC)n1 ZINC000587639128 EG Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2c(C(=O)O)cccc12 ZINC000587639145 EG Annotated Anodyne Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2Cn2cncn2)cc1 ZINC000587639321 EG Annotated Anodyne N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587639323 EG Annotated Mild CC(C)(C)OC(=O)N1CC(c2[nH]c3c(C(=O)O)cccc3c2C#N)C1 ZINC000587639394 EG Annotated Mild CCOC(=O)CCc1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 ZINC000587639397 EG Annotated Anodyne COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2Cn2cncn2)cc1 ZINC000587639484 EG Annotated Anodyne O=C(O)c1cccc2c(-n3cccnc3=O)c(-c3ccccc3)[nH]c12 ZINC000587639498 EG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)ON3C(=O)CCC3=O)c2c1 ZINC000587640469 EG Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)ON3C(=O)CCC3=O)c2c1 ZINC000587640473 EG Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3ccn(C)n3)c(C(=O)C(=O)OC)c2c1 ZINC000587640557 EG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccn(C)n3)c(C(=O)C(=O)OC)c2c1 ZINC000587640563 EG Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccn(C)n3)c2c1 ZINC000587640942 EG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccn(C)n3)c2c1 ZINC000587640949 EG Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccnn3C)c(C(=O)C(=O)OC)c2c1 ZINC000587641060 EG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccnn3C)c(C(=O)C(=O)OC)c2c1 ZINC000587641061 EG Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(C)c3)c2c1 ZINC000587641076 EG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(C)c3)c2c1 ZINC000587641077 EG Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(C(=O)C(=O)OC)c2c1 ZINC000587641093 EG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(C(=O)C(=O)OC)c2c1 ZINC000587641094 EG Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccnn3C)c2c1 ZINC000587642528 EG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccnn3C)c2c1 ZINC000587642529 EG Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644670 EG Annotated Bother Cn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)cn1 ZINC000587644721 EG Annotated Bother Cn1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)n1 ZINC000587644930 EG Annotated Bother Cn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)cn1 ZINC000587645194 EG Annotated Bother CCn1cc(Cl)c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)OC)n1 ZINC000587645242 EG Annotated Bother Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000587645331 EG Annotated Bother Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cn1 ZINC000587645342 EG Annotated Bother Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cn1 ZINC000587645354 EG Annotated Bother Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC000587645379 EG Annotated Bother Cn1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)n1 ZINC000587645439 EG Annotated Bother Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645651 EG Annotated Bother COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645834 EG Annotated Bother COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccc1F ZINC000587645874 EG Annotated Bother CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645888 EG Annotated Bother O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645895 EG Annotated Bother Cc1c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cnn1C ZINC000587645975 EG Annotated Bother Cc1c(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cnn1C ZINC000587645992 EG Annotated Bother CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646023 EG Annotated Bother Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646064 EG Annotated Bother Cc1c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cnn1C ZINC000587646124 EG Annotated Bother Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)F ZINC000587646361 EG Annotated Bother CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cn1 ZINC000587646382 EG Annotated Bother Cc1c(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cnn1C ZINC000587646395 EG Annotated Bother CCn1cc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cn1 ZINC000587646407 EG Annotated Bother CN(CCc1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12)N=O ZINC000587646432 EG Annotated Bother C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CC=O ZINC000587646485 EG Annotated Mild CCn1cc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cn1 ZINC000587646586 EG Annotated Bother CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cn1 ZINC000587646609 EG Annotated Bother Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)F ZINC000587646624 EG Annotated Bother CN(CCc1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12)N=O ZINC000587646645 EG Annotated Bother CCOC(=O)/C(=C/N(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC ZINC000587646697 EG Annotated Bother CCOC(=O)/C(=C\N(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC ZINC000587646698 EG Annotated Bother C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC=O ZINC000587646752 EG Annotated Mild Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587646830 EG Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587646831 EG Annotated Bother CCOC(=O)/C(=C\N(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CC ZINC000587646959 EG Annotated Bother CCOC(=O)/C(=C/N(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CC ZINC000587646960 EG Annotated Bother C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646962 EG Annotated Bother C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646963 EG Annotated Bother C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646964 EG Annotated Bother C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646965 EG Annotated Bother Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647008 EG Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587647107 EG Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587647108 EG Annotated Bother CC(C)(C)OC(=O)NCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCC=O ZINC000587647153 EG Annotated Mild Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000587647355 EG Annotated Bother COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2Cn2cncn2)cc1 ZINC000587647358 EG Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000587647378 EG Annotated Bother CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647453 EG Annotated Bother CC(C)(C)OC(=O)NCc1[nH]c2cccc([N+](=O)[O-])c2c1CCC=O ZINC000587647465 EG Annotated Mild Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCOc1ccccc1C(N)=O ZINC000587647693 EG Annotated Bother COC(=O)Cc1c(-c2ccccc2N)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647704 EG Annotated Bother Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647780 EG Annotated Bother COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2Cn2cncn2)cc1 ZINC000587647787 EG Annotated Bother O=C1CCC(=O)N1c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648053 EG Annotated Bother C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648075 EG Annotated Bother C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648077 EG Annotated Bother C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648078 EG Annotated Bother C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648079 EG Annotated Bother C=CCc1c(CBr)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648221 EG Annotated Reactive COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648264 EG Annotated Bother COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648266 EG Annotated Bother CCOC(=O)Cc1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648308 EG Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCN1C(=O)c2ccccc2C1=O ZINC000587648335 EG Annotated Bother CC(C)(C)OC(=O)N1CC(c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)C1 ZINC000587648466 EG Annotated Mild CC(C)C(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648568 EG Annotated Anodyne O=c1ncccn1-c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648691 EG Annotated Bother CC(C)(C)OC(=O)N1CC(c2[nH]c3cc([N+](=O)[O-])ccc3c2C#N)C1 ZINC000587648699 EG Annotated Mild CS(=O)(=O)c1ccc2[nH]c(C3CC3)c(C(=O)C(F)(F)F)c2c1 ZINC000587648827 EG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)ccn3)c(C#N)c2c1 ZINC000587648864 EG Annotated Mild CS(=O)(=O)c1ccc2[nH]c(CBr)c(C3CC3)c2c1 ZINC000587648872 EG Annotated Reactive CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(-c3cnccn3)c2c1 ZINC000587648938 EG Annotated Anodyne CC1(c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)CC1 ZINC000587648963 EG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccco3)c2c1 ZINC000587648999 EG Annotated Anodyne N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649085 EG Annotated Mild Cc1nn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)c1Cl ZINC000587649299 EG Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1ccc(C(F)(F)F)n1 ZINC000587649393 EG Annotated Anodyne COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587649460 EG Annotated Bother COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587649462 EG Annotated Bother CC(C)c1c(CC(=O)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649574 EG Annotated Anodyne CC(C)OC(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649640 EG Annotated Anodyne Cc1[nH]c2cccc([N+](=O)[O-])c2c1CN1C(=O)c2ccccc2C1=O ZINC000587649690 EG Annotated Bother CCOC(=O)Cc1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649702 EG Annotated Bother CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCBr ZINC000587649716 EG Annotated Reactive Cc1c(CCCBr)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649775 EG Annotated Reactive Cc1c(-c2cc(C(=O)O)ccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649884 EG Annotated Anodyne CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)F ZINC000587650035 EG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C3CC3)c2c1 ZINC000587650088 EG Annotated Anodyne COCc1c(Cc2cccc(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650285 EG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3ccco3)c(C(=O)C(F)F)c2c1 ZINC000587650453 EG Annotated Anodyne CC1(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)CC1 ZINC000587650568 EG Annotated Anodyne CCc1c(-c2cn(CC)nc2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650595 EG Annotated Anodyne O=C(c1ccc(O)c(Cl)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650712 EG Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1Cc2ccccc2C1=O ZINC000587650781 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1cc(Br)ccn1 ZINC000587650971 EG Annotated Anodyne CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)OC(C)(C)C ZINC000587651022 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)ccn1 ZINC000587651054 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccccc1F ZINC000587651099 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(Br)cn1 ZINC000587651143 EG Annotated Anodyne O=C(COc1ccccc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651171 EG Annotated Anodyne Cc1cc(C(F)(F)F)nc(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651189 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ncccc1Br ZINC000587651222 EG Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651249 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(C(F)(F)F)nc1 ZINC000587651255 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587651430 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccnc(Br)c1 ZINC000587651437 EG Annotated Anodyne Cc1cccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587651485 EG Annotated Anodyne Cc1cccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587651487 EG Annotated Anodyne O=C(c1ccc(Cl)cc1O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651514 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1cccc(C(F)(F)F)n1 ZINC000587651529 EG Annotated Anodyne CC[C@@H]1CCCCN1C(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651573 EG Annotated Anodyne CC[C@H]1CCCCN1C(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651574 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587651622 EG Annotated Anodyne C[C@H](Oc1ccc(F)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651665 EG Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651668 EG Annotated Anodyne Cc1cc(C)cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587651713 EG Annotated Anodyne CC(C)(C)[C@H]1OCC[C@@H]1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651728 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ncnc2ccc(F)cc12 ZINC000587651730 EG Annotated Anodyne O=C(c1ccc2ncccc2c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651736 EG Annotated Anodyne Cc1ccccc1NCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651742 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1cccc(Br)n1 ZINC000587651748 EG Annotated Anodyne O=C(O)c1ccc(Cl)c(-n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587651765 EG Annotated Anodyne Cc1ccc(NCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587651823 EG Annotated Anodyne C[C@H](Oc1ccccc1F)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651862 EG Annotated Anodyne C[C@@H](Oc1ccccc1F)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651863 EG Annotated Anodyne Cc1ccc(C)c(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587651876 EG Annotated Anodyne O=C(CNc1ccc(F)cc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587651898 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cccc(F)c1 ZINC000587651919 EG Annotated Anodyne Nc1ccc2oc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2c1 ZINC000587651969 EG Annotated Anodyne O=C(CCNc1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651973 EG Annotated Anodyne CC(C)(C)c1ocnc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651985 EG Annotated Anodyne O=C(Cc1ccc(F)cc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587652012 EG Annotated Anodyne Cc1ccc(NCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1 ZINC000587652025 EG Annotated Anodyne C=CCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587652107 EG Annotated Mild O=C(c1cc(Cl)ccc1O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652115 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1C(=S)NCc1ccc(F)cc1 ZINC000587652117 EG Annotated Anodyne O=C(c1cccc2ncccc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587652132 EG Annotated Anodyne O=C(Cc1noc2ccccc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587652193 EG Annotated Anodyne O=C(Nc1c(F)cccc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587652252 EG Annotated Anodyne O=C(c1ccc2ccccc2n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652300 EG Annotated Anodyne O=C(CCc1ccc(O)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652318 EG Annotated Anodyne Cc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1 ZINC000587652356 EG Annotated Anodyne O=C(c1cncc2ccccc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587652358 EG Annotated Anodyne Cc1cccc(C)c1OCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652400 EG Annotated Anodyne C[C@@H](NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 ZINC000587652403 EG Annotated Anodyne C[C@H](NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1 ZINC000587652406 EG Annotated Anodyne Cc1ccccc1O[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652444 EG Annotated Anodyne Cc1ccccc1O[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652445 EG Annotated Anodyne Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)nc(-c2ccccn2)n1 ZINC000587652449 EG Annotated Anodyne Cc1cccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1C ZINC000587652528 EG Annotated Anodyne O=C(CCc1ccccc1O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652549 EG Annotated Anodyne O=C(c1cccc2cccnc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587652699 EG Annotated Anodyne Cc1ccc(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)o1 ZINC000587652723 EG Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652760 EG Annotated Bother O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2ccccc2)nn1 ZINC000587652938 EG Annotated Anodyne O=C(Cn1ccc2ccccc21)n1ncc2ccc(Cl)cc2c1=O ZINC000587653139 EG Annotated Anodyne O=C(c1ccc(Cl)s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653176 EG Annotated Anodyne CN(C)c1ccc(NC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587653422 EG Annotated Anodyne O=C(c1sccc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587653482 EG Annotated Anodyne CSc1ccccc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653493 EG Annotated Anodyne Cc1csc2c(-n3ncc4ccc(Cl)cc4c3=O)ncnc12 ZINC000587653748 EG Annotated Anodyne O=C(c1cc2sccc2cn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653923 EG Annotated Anodyne O=C(CSc1ccccc1O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654073 EG Annotated Anodyne CSc1nc(Cl)cc(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587654151 EG Annotated Anodyne Cc1csc2ncnc(-n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587654152 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1C(=S)NCCc1cccs1 ZINC000587654289 EG Annotated Anodyne CCc1nc(C)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)s1 ZINC000587654318 EG Annotated Anodyne O=C(c1cc2c(s1)CCC2)n1ncc2ccc(Cl)cc2c1=O ZINC000587654341 EG Annotated Anodyne O=C(c1cc(Cl)cs1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654686 EG Annotated Anodyne CSc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587654843 EG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654915 EG Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654917 EG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654919 EG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O ZINC000587654921 EG Annotated Anodyne O=C(Cc1c[nH]c2ccccc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587654925 EG Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1C(=S)NCCc1ccccc1 ZINC000587655252 EG Annotated Anodyne C[C@H](CN1CCCCCC1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587655274 EG Annotated Anodyne C[C@@H](CN1CCCCCC1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587655275 EG Annotated Anodyne CO[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655376 EG Annotated Anodyne CO[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655377 EG Annotated Anodyne CC[C@@H](O)Cn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655857 EG Annotated Anodyne CC[C@H](O)Cn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655860 EG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CCCCO ZINC000587655912 EG Annotated Anodyne CC(C)(O)Cn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656572 EG Annotated Anodyne Cn1ccnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656743 EG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnnc1 ZINC000587656746 EG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccn1 ZINC000587656747 EG Annotated Anodyne O=C(C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656787 EG Annotated Anodyne CCOC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656827 EG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccncn1 ZINC000587656969 EG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cnccn1 ZINC000587657033 EG Annotated Anodyne CCOCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657173 EG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cncnc1 ZINC000587657408 EG Annotated Anodyne O=C(CCS)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657652 EG Annotated Mild CN(C)C(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658011 EG Annotated Anodyne O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C(F)(F)F ZINC000587658353 EG Annotated Anodyne CSCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658403 EG Annotated Anodyne CCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659198 EG Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(F)cn1 ZINC000587659222 EG Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ncccn1 ZINC000587659693 EG Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cccnn1 ZINC000587659708 EG Annotated Anodyne O=C([C@@H]1CCCO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659818 EG Annotated Anodyne O=C([C@H]1CCCO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659819 EG Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cncnc1 ZINC000587659824 EG Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(O)c1 ZINC000587659825 EG Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cnccn1 ZINC000587659873 EG Annotated Anodyne CC(C)OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659883 EG Annotated Anodyne O=C(c1cccnc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660200 EG Annotated Anodyne O=C(c1ccc[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660214 EG Annotated Anodyne Cc1nccnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660249 EG Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)no1 ZINC000587660250 EG Annotated Anodyne Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ncn1 ZINC000587660515 EG Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccnnc1 ZINC000587660600 EG Annotated Anodyne Cc1cncc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587660609 EG Annotated Anodyne O=C(c1ccncc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660667 EG Annotated Anodyne O=C(c1ccoc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660756 EG Annotated Anodyne Cc1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)co1 ZINC000587660817 EG Annotated Anodyne Cc1ocnc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660826 EG Annotated Anodyne O=C(CCS)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661221 EG Annotated Mild O=C(c1ccccn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661259 EG Annotated Anodyne CCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661301 EG Annotated Anodyne O=C(c1ccco1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661537 EG Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)on1 ZINC000587661564 EG Annotated Anodyne Cn1cccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661606 EG Annotated Anodyne CSCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661699 EG Annotated Anodyne Cc1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(N)c1 ZINC000587661959 EG Annotated Anodyne Cc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1 ZINC000587662088 EG Annotated Anodyne C=CCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662231 EG Annotated Mild Cc1nnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)s1 ZINC000587662367 EG Annotated Anodyne COC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685600 EG Annotated Reactive COC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685601 EG Annotated Reactive COC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685602 EG Annotated Reactive COC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685603 EG Annotated Reactive COC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688747 EG Annotated Reactive COC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688748 EG Annotated Reactive COC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688749 EG Annotated Reactive COC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688750 EG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)C(F)(F)F)N1 ZINC000587702676 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)C(F)(F)F)N1 ZINC000587702688 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)C(F)(F)F)N1 ZINC000587702689 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)C(F)(F)F)N1 ZINC000587702690 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(C(F)(F)F)N1 ZINC000587703952 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(C(F)(F)F)N1 ZINC000587703954 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(C(F)(F)F)N1 ZINC000587703955 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(C(F)(F)F)N1 ZINC000587703957 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(C(F)(F)F)N1 ZINC000587706984 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(C(F)(F)F)N1 ZINC000587706985 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(C(F)(F)F)N1 ZINC000587706986 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(C(F)(F)F)N1 ZINC000587706987 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)C(F)(F)F)N1 ZINC000587708175 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)C(F)(F)F)N1 ZINC000587708178 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)C(F)(F)F)N1 ZINC000587708180 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)C(F)(F)F)N1 ZINC000587708183 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C(F)F)N1 ZINC000587717789 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C(F)F)N1 ZINC000587717821 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C(F)F)N1 ZINC000587717822 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C(F)F)N1 ZINC000587717823 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C(F)F)N1 ZINC000587720913 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C(F)F)N1 ZINC000587720914 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C(F)F)N1 ZINC000587720915 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C(F)F)N1 ZINC000587720916 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(F)cn2)N1 ZINC000587730523 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(F)cn2)N1 ZINC000587730528 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(F)cn2)N1 ZINC000587730529 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(F)cn2)N1 ZINC000587730530 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(F)cn2)N1 ZINC000587734462 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(F)cn2)N1 ZINC000587734464 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(F)cn2)N1 ZINC000587734466 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(F)cn2)N1 ZINC000587734467 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@H]2F)N1 ZINC000587738118 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@@H]2F)N1 ZINC000587738119 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2F)N1 ZINC000587738120 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@H]2F)N1 ZINC000587738121 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2F)N1 ZINC000587738284 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@H]2F)N1 ZINC000587738285 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@H]2F)N1 ZINC000587738286 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@@H]2F)N1 ZINC000587738287 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@@H](F)C2)N1 ZINC000587738376 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@H](F)C2)N1 ZINC000587738377 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@H](F)C2)N1 ZINC000587738378 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@@H](F)C2)N1 ZINC000587738379 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(C)C)N1 ZINC000587738863 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(C)C)N1 ZINC000587738886 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(C)C)N1 ZINC000587738888 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(C)C)N1 ZINC000587738890 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/N(C)C)N1 ZINC000587738901 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/N(C)C)N1 ZINC000587738921 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/N(C)C)N1 ZINC000587738922 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/N(C)C)N1 ZINC000587738923 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C\N(C)C)N1 ZINC000587739383 EG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C\N(C)C)N1 ZINC000587739388 EG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C/N(C)C)N1 ZINC000587739389 EG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C/N(C)C)N1 ZINC000587739390 EG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@H](F)C2)N1 ZINC000587740541 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@@H](F)C2)N1 ZINC000587740542 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@@H](F)C2)N1 ZINC000587740543 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@H](F)C2)N1 ZINC000587740544 EG Annotated Anodyne CC(=O)[C@H](N=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741531 EG Annotated Anodyne CC(=O)[C@H](N=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741538 EG Annotated Anodyne CC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741539 EG Annotated Anodyne CC(=O)[C@H](N=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741541 EG Annotated Anodyne CC(=O)[C@H](N=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741871 EG Annotated Anodyne CC(=O)[C@H](N=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741872 EG Annotated Anodyne CC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741875 EG Annotated Anodyne CC(=O)[C@H](N=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741876 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/N(C)C)N1 ZINC000587742069 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/N(C)C)N1 ZINC000587742070 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/N(C)C)N1 ZINC000587742072 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/N(C)C)N1 ZINC000587742074 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N)CCC2)N1 ZINC000587742815 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N)CCC2)N1 ZINC000587742816 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N)CCC2)N1 ZINC000587742817 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N)CCC2)N1 ZINC000587742818 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc[nH]c(=N)c2)N1 ZINC000587742819 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc[nH]c(=N)c2)N1 ZINC000587742836 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc[nH]c(=N)c2)N1 ZINC000587742838 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc[nH]c(=N)c2)N1 ZINC000587742840 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C\N(C)C)N1 ZINC000587742872 EG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C\N(C)C)N1 ZINC000587742873 EG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C/N(C)C)N1 ZINC000587742874 EG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C/N(C)C)N1 ZINC000587742875 EG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(C)C)N1 ZINC000587743447 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(C)C)N1 ZINC000587743449 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(C)C)N1 ZINC000587743451 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(C)C)N1 ZINC000587743455 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2N)N1 ZINC000587743601 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2N)N1 ZINC000587743602 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2N)N1 ZINC000587743603 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2N)N1 ZINC000587743604 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2N)N1 ZINC000587743621 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2N)N1 ZINC000587743622 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2N)N1 ZINC000587743624 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2N)N1 ZINC000587743625 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]ccc2=N)N1 ZINC000587743649 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]ccc2=N)N1 ZINC000587743651 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]ccc2=N)N1 ZINC000587743653 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]ccc2=N)N1 ZINC000587743655 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc[nH]c(=N)c2)N1 ZINC000587743685 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc[nH]c(=N)c2)N1 ZINC000587743689 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc[nH]c(=N)c2)N1 ZINC000587743692 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc[nH]c(=N)c2)N1 ZINC000587743695 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N)N1 ZINC000587744057 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N)N1 ZINC000587744059 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N)N1 ZINC000587744060 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N)N1 ZINC000587744063 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N)CCC2)N1 ZINC000587744277 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N)CCC2)N1 ZINC000587744279 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N)CCC2)N1 ZINC000587744282 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N)CCC2)N1 ZINC000587744285 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N)N1 ZINC000587744325 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N)N1 ZINC000587744326 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N)N1 ZINC000587744564 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N)N1 ZINC000587744565 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](N)C2)N1 ZINC000587745011 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](N)C2)N1 ZINC000587745012 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](N)C2)N1 ZINC000587745013 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](N)C2)N1 ZINC000587745014 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=N)[nH]c2)N1 ZINC000587747064 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=N)[nH]c2)N1 ZINC000587747065 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=N)[nH]c2)N1 ZINC000587747066 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=N)[nH]c2)N1 ZINC000587747067 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=N)[nH]c2)N1 ZINC000587747073 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=N)[nH]c2)N1 ZINC000587747075 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=N)[nH]c2)N1 ZINC000587747077 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=N)[nH]c2)N1 ZINC000587747079 EG Annotated Anodyne CC(C)[C@@H](N)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747277 EG Annotated Anodyne CC(C)[C@H](N)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747278 EG Annotated Anodyne CC(C)[C@H](N)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747279 EG Annotated Anodyne CC(C)[C@@H](N)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747280 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2N)N1 ZINC000587747713 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2N)N1 ZINC000587747715 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2N)N1 ZINC000587747716 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2N)N1 ZINC000587747718 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2N)N1 ZINC000587748390 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2N)N1 ZINC000587748391 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2N)N1 ZINC000587748392 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2N)N1 ZINC000587748393 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]ccc2=N)N1 ZINC000587748402 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]ccc2=N)N1 ZINC000587748403 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]ccc2=N)N1 ZINC000587748404 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]ccc2=N)N1 ZINC000587748405 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](N)C2)N1 ZINC000587748698 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](N)C2)N1 ZINC000587748700 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](N)C2)N1 ZINC000587748702 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](N)C2)N1 ZINC000587748704 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ccccc2)N1 ZINC000587749685 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ccccc2)N1 ZINC000587749689 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ccccc2)N1 ZINC000587749691 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ccccc2)N1 ZINC000587749693 EG Annotated Anodyne CC(C)[C@@H](N)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750305 EG Annotated Anodyne CC(C)[C@H](N)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750308 EG Annotated Anodyne CC(C)[C@H](N)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750312 EG Annotated Anodyne CC(C)[C@@H](N)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750315 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(C(C)(C)C)N1 ZINC000587750450 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(C(C)(C)C)N1 ZINC000587750451 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(C(C)(C)C)N1 ZINC000587750452 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(C(C)(C)C)N1 ZINC000587750453 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ccccc2)N1 ZINC000587751123 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ccccc2)N1 ZINC000587751125 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ccccc2)N1 ZINC000587751127 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ccccc2)N1 ZINC000587751129 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(C(C)(C)C)N1 ZINC000587751263 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(C(C)(C)C)N1 ZINC000587751265 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(C(C)(C)C)N1 ZINC000587751267 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(C(C)(C)C)N1 ZINC000587751269 EG Annotated Anodyne CCn1ccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751802 EG Annotated Anodyne CCn1ccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751803 EG Annotated Anodyne CCn1ccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751804 EG Annotated Anodyne CCn1ccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751805 EG Annotated Anodyne CO/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752203 EG Annotated Anodyne CO/C(=C/N(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752204 EG Annotated Anodyne CO/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752205 EG Annotated Anodyne CO/C(=C/N(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752206 EG Annotated Anodyne CO/C(=C/N(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752634 EG Annotated Anodyne CO/C(=C/N(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752637 EG Annotated Anodyne CO/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752639 EG Annotated Anodyne CO/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752641 EG Annotated Anodyne Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587752785 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587752787 EG Annotated Anodyne Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587752788 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587752789 EG Annotated Anodyne Cc1cn(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587752818 EG Annotated Anodyne Cc1cn(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587752819 EG Annotated Anodyne Cc1cn(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587752820 EG Annotated Anodyne Cc1cn(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587752821 EG Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587752822 EG Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587752823 EG Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587752824 EG Annotated Anodyne Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587752825 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C/N(C)C)N1 ZINC000587753224 EG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C/N(C)C)N1 ZINC000587753225 EG Annotated Reactive CCn1ccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753413 EG Annotated Anodyne CCn1ccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753414 EG Annotated Anodyne CCn1ccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753415 EG Annotated Anodyne CCn1ccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753416 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncn2C)N1 ZINC000587753449 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncn2C)N1 ZINC000587753450 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncn2C)N1 ZINC000587753451 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncn2C)N1 ZINC000587753452 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)n(C)c2)N1 ZINC000587753921 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)n(C)c2)N1 ZINC000587754015 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)n(C)c2)N1 ZINC000587754018 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)n(C)c2)N1 ZINC000587754020 EG Annotated Mild CC(=O)NCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754093 EG Annotated Anodyne CC(=O)NCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754100 EG Annotated Anodyne CC(=O)NCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754101 EG Annotated Anodyne CC(=O)NCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754103 EG Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ncn1C ZINC000587754205 EG Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ncn1C ZINC000587754206 EG Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ncn1C ZINC000587754207 EG Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ncn1C ZINC000587754208 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccn2C)N1 ZINC000587754312 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccn2C)N1 ZINC000587754314 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccn2C)N1 ZINC000587754315 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccn2C)N1 ZINC000587754318 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccn2C)N1 ZINC000587754386 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccn2C)N1 ZINC000587754389 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccn2C)N1 ZINC000587754392 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccn2C)N1 ZINC000587754396 EG Annotated Anodyne Cc1cn(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587754778 EG Annotated Anodyne Cc1cn(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587754780 EG Annotated Anodyne Cc1cn(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587754782 EG Annotated Anodyne Cc1cn(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587754784 EG Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587754997 EG Annotated Anodyne Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587754998 EG Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587754999 EG Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587755000 EG Annotated Anodyne Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587755070 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587755073 EG Annotated Anodyne Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587755074 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587755076 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncn2C)N1 ZINC000587755116 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncn2C)N1 ZINC000587755118 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncn2C)N1 ZINC000587755120 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncn2C)N1 ZINC000587755122 EG Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ncn1C ZINC000587755362 EG Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ncn1C ZINC000587755364 EG Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ncn1C ZINC000587755368 EG Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ncn1C ZINC000587755370 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2ccnc2)N1 ZINC000587755691 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2ccnc2)N1 ZINC000587755692 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2ccnc2)N1 ZINC000587755693 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2ccnc2)N1 ZINC000587755694 EG Annotated Anodyne CCn1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755909 EG Annotated Anodyne CCn1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755910 EG Annotated Anodyne CCn1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755911 EG Annotated Anodyne CCn1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755912 EG Annotated Anodyne CCn1cncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756234 EG Annotated Anodyne CCn1cncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756235 EG Annotated Anodyne CCn1cncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756237 EG Annotated Anodyne CCn1cncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756238 EG Annotated Anodyne Cc1cnn(C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587756286 EG Annotated Anodyne Cc1cnn(C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587756287 EG Annotated Anodyne Cc1cnn(C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587756288 EG Annotated Anodyne Cc1cnn(C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587756289 EG Annotated Anodyne CC(=O)NCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757025 EG Annotated Anodyne CC(=O)NCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757027 EG Annotated Anodyne CC(=O)NCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757029 EG Annotated Anodyne CC(=O)NCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757030 EG Annotated Anodyne CCn1cncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757056 EG Annotated Anodyne CCn1cncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757057 EG Annotated Anodyne CCn1cncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757058 EG Annotated Anodyne CCn1cncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757059 EG Annotated Anodyne CCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587757174 EG Annotated Anodyne CCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587757176 EG Annotated Anodyne CCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587757178 EG Annotated Anodyne CCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587757180 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C/N(C)C)N1 ZINC000587757328 EG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C/N(C)C)N1 ZINC000587757330 EG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)n(C)c2)N1 ZINC000587757369 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)n(C)c2)N1 ZINC000587757370 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)n(C)c2)N1 ZINC000587757372 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)n(C)c2)N1 ZINC000587757373 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnn2C)N1 ZINC000587758257 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnn2C)N1 ZINC000587758258 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnn2C)N1 ZINC000587758259 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnn2C)N1 ZINC000587758260 EG Annotated Anodyne CCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587758710 EG Annotated Anodyne CCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587758711 EG Annotated Anodyne CCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587758713 EG Annotated Anodyne CCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587758714 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnn2C)N1 ZINC000587759393 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnn2C)N1 ZINC000587759394 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnn2C)N1 ZINC000587759396 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnn2C)N1 ZINC000587759398 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cccn2)N1 ZINC000587759757 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cccn2)N1 ZINC000587759758 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cccn2)N1 ZINC000587759759 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cccn2)N1 ZINC000587759760 EG Annotated Anodyne CCN1C[C@H](C)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759886 EG Annotated Anodyne CCN1C[C@H](C)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759887 EG Annotated Anodyne CCN1C[C@H](C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759888 EG Annotated Anodyne CCN1C[C@H](C)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759889 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)N(C)C2)N1 ZINC000587759890 EG Annotated Anodyne C[C@H]1C[C@@]2(CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759891 EG Annotated Anodyne C[C@H]1C[C@]2(CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759892 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N(C)C2)N1 ZINC000587759893 EG Annotated Anodyne CCN1C[C@H](C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759902 EG Annotated Anodyne CCN1C[C@H](C)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759903 EG Annotated Anodyne CCN1C[C@H](C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759904 EG Annotated Anodyne CCN1C[C@H](C)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759905 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C[C@H]2C)N1 ZINC000587759926 EG Annotated Anodyne C[C@H]1CN(C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759927 EG Annotated Anodyne C[C@H]1CN(C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759928 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C[C@H]2C)N1 ZINC000587759929 EG Annotated Anodyne CCn1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760299 EG Annotated Anodyne CCn1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760301 EG Annotated Anodyne CCn1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760303 EG Annotated Anodyne CCn1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760305 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cccn2)N1 ZINC000587760733 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cccn2)N1 ZINC000587760735 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cccn2)N1 ZINC000587760736 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cccn2)N1 ZINC000587760737 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCn2cccn2)N1 ZINC000587761011 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCn2cccn2)N1 ZINC000587761012 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCn2cccn2)N1 ZINC000587761013 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCn2cccn2)N1 ZINC000587761014 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCn2cccn2)N1 ZINC000587761175 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCn2cccn2)N1 ZINC000587761176 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCn2cccn2)N1 ZINC000587761177 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCn2cccn2)N1 ZINC000587761178 EG Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)n1 ZINC000587761675 EG Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)n1 ZINC000587761676 EG Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)n1 ZINC000587761677 EG Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)n1 ZINC000587761678 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C[C@H]2C)N1 ZINC000587761870 EG Annotated Anodyne C[C@H]1CN(C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761871 EG Annotated Anodyne C[C@H]1CN(C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761872 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C[C@H]2C)N1 ZINC000587761873 EG Annotated Anodyne Cc1cnn(C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587762380 EG Annotated Anodyne Cc1cnn(C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587762381 EG Annotated Anodyne Cc1cnn(C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587762382 EG Annotated Anodyne Cc1cnn(C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587762383 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(C)c2)N1 ZINC000587762448 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(C)c2)N1 ZINC000587762449 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(C)c2)N1 ZINC000587762450 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(C)c2)N1 ZINC000587762451 EG Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587762472 EG Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587762473 EG Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587762474 EG Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587762475 EG Annotated Anodyne CCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762480 EG Annotated Anodyne CCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762481 EG Annotated Anodyne CCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762482 EG Annotated Anodyne CCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587762483 EG Annotated Anodyne C[C@H]1C[C@]2(CCN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762758 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)[C@H](C)C2)N1 ZINC000587762759 EG Annotated Anodyne C[C@H]1C[C@@]2(CCN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762761 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)[C@H](C)C2)N1 ZINC000587762763 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(C)n2)N1 ZINC000587762812 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(C)n2)N1 ZINC000587762814 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(C)n2)N1 ZINC000587762816 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(C)n2)N1 ZINC000587762817 EG Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587762845 EG Annotated Anodyne Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587762847 EG Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587762849 EG Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587762850 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)N(C)C2)N1 ZINC000587763000 EG Annotated Anodyne C[C@H]1C[C@@]2(CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763001 EG Annotated Anodyne C[C@H]1C[C@]2(CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763002 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)N(C)C2)N1 ZINC000587763003 EG Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)n1 ZINC000587763052 EG Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)n1 ZINC000587763053 EG Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)n1 ZINC000587763054 EG Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)n1 ZINC000587763055 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccn(C)n2)N1 ZINC000587763068 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(C)n2)N1 ZINC000587763069 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccn(C)n2)N1 ZINC000587763070 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(C)n2)N1 ZINC000587763071 EG Annotated Anodyne C[C@H]1C[C@]2(CCN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763370 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)[C@H](C)C2)N1 ZINC000587763371 EG Annotated Anodyne C[C@H]1C[C@@]2(CCN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763372 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)[C@H](C)C2)N1 ZINC000587763373 EG Annotated Anodyne Cc1nn(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763588 EG Annotated Anodyne Cc1nn(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763589 EG Annotated Anodyne Cc1nn(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763590 EG Annotated Anodyne Cc1nn(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763591 EG Annotated Anodyne CCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763696 EG Annotated Anodyne CCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763697 EG Annotated Anodyne CCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763698 EG Annotated Anodyne CCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587763699 EG Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C ZINC000587763994 EG Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C ZINC000587763995 EG Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C ZINC000587763997 EG Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C ZINC000587763999 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C)CC2)N1 ZINC000587764098 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C)CC2)N1 ZINC000587764099 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C)CC2)N1 ZINC000587764100 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C)CC2)N1 ZINC000587764101 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C)CC2)N1 ZINC000587764688 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C)CC2)N1 ZINC000587764690 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C)CC2)N1 ZINC000587764691 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C)CC2)N1 ZINC000587764692 EG Annotated Anodyne CCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764877 EG Annotated Anodyne CCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764879 EG Annotated Anodyne Cc1nn(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765290 EG Annotated Anodyne Cc1nn(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765293 EG Annotated Anodyne Cc1nn(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765295 EG Annotated Anodyne Cc1nn(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765296 EG Annotated Anodyne CCN1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765723 EG Annotated Anodyne CCN1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765724 EG Annotated Anodyne CCN1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765725 EG Annotated Anodyne CCN1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765726 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C)CC2)N1 ZINC000587766167 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C)CC2)N1 ZINC000587766168 EG Annotated Anodyne Cc1cnn(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766402 EG Annotated Anodyne Cc1cnn(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766404 EG Annotated Anodyne Cc1cnn(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766406 EG Annotated Anodyne Cc1cnn(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766409 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(C)c2)N1 ZINC000587766454 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(C)c2)N1 ZINC000587766455 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(C)c2)N1 ZINC000587766456 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(C)c2)N1 ZINC000587766457 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C)CC2)N1 ZINC000587767035 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C)CC2)N1 ZINC000587767037 EG Annotated Anodyne CCN1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767204 EG Annotated Anodyne CCN1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767208 EG Annotated Anodyne CCN1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767212 EG Annotated Anodyne CCN1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767214 EG Annotated Anodyne Cc1cnn(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767362 EG Annotated Anodyne Cc1cnn(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767363 EG Annotated Anodyne Cc1cnn(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767364 EG Annotated Anodyne Cc1cnn(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767366 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cn2)N1 ZINC000587767441 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cn2)N1 ZINC000587767442 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cn2)N1 ZINC000587767443 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cn2)N1 ZINC000587767444 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)n2)N1 ZINC000587767445 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)n2)N1 ZINC000587767446 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)n2)N1 ZINC000587767447 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)n2)N1 ZINC000587767448 EG Annotated Anodyne Cc1nccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767459 EG Annotated Anodyne Cc1nccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767460 EG Annotated Anodyne Cc1nccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767461 EG Annotated Anodyne Cc1nccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767462 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C#N)n2)N1 ZINC000587767809 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C#N)n2)N1 ZINC000587767813 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C#N)n2)N1 ZINC000587767814 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C#N)n2)N1 ZINC000587767816 EG Annotated Mild Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C ZINC000587767934 EG Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C ZINC000587767936 EG Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C ZINC000587767940 EG Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C ZINC000587767942 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C)C2)N1 ZINC000587768166 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C)C2)N1 ZINC000587768167 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C)C2)N1 ZINC000587768168 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C)C2)N1 ZINC000587768169 EG Annotated Anodyne CC(C)N1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768184 EG Annotated Anodyne CC(C)N1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768185 EG Annotated Anodyne CC(C)N1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768186 EG Annotated Anodyne CC(C)N1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768187 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C)C2)N1 ZINC000587768734 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C)C2)N1 ZINC000587768737 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C)C2)N1 ZINC000587768740 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C)C2)N1 ZINC000587768742 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(O)c2)N1 ZINC000587769951 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(O)c2)N1 ZINC000587769955 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(O)c2)N1 ZINC000587769957 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(O)c2)N1 ZINC000587769959 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)nc2)N1 ZINC000587769962 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)nc2)N1 ZINC000587769964 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)nc2)N1 ZINC000587769967 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)nc2)N1 ZINC000587769970 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(O)c2)N1 ZINC000587770051 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(O)c2)N1 ZINC000587770052 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(O)c2)N1 ZINC000587770055 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(O)c2)N1 ZINC000587770056 EG Annotated Anodyne CCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770247 EG Annotated Anodyne CCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770248 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770432 EG Annotated Anodyne Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770435 EG Annotated Anodyne Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770436 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770437 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3ccnc32)N1 ZINC000587770602 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3ccnc32)N1 ZINC000587770603 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3ccnc32)N1 ZINC000587770604 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3ccnc32)N1 ZINC000587770605 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(C#N)c2)N1 ZINC000587770709 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(C#N)c2)N1 ZINC000587770712 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(C#N)c2)N1 ZINC000587770715 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(C#N)c2)N1 ZINC000587770718 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)nc2)N1 ZINC000587770943 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)nc2)N1 ZINC000587770944 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)nc2)N1 ZINC000587770945 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)nc2)N1 ZINC000587770946 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2O)N1 ZINC000587770951 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2O)N1 ZINC000587770952 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2O)N1 ZINC000587770953 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2O)N1 ZINC000587770954 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)nc2)N1 ZINC000587770959 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)nc2)N1 ZINC000587770960 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)nc2)N1 ZINC000587770961 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)nc2)N1 ZINC000587770962 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CNn3cccc32)N1 ZINC000587770979 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CNn3cccc32)N1 ZINC000587770980 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CNn3cccc32)N1 ZINC000587770981 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CNn3cccc32)N1 ZINC000587770982 EG Annotated Anodyne CC(C)N1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771007 EG Annotated Anodyne CC(C)N1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771009 EG Annotated Anodyne CC(C)N1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771010 EG Annotated Anodyne CC(C)N1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587771012 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2O)N1 ZINC000587771358 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2O)N1 ZINC000587771360 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2O)N1 ZINC000587771364 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2O)N1 ZINC000587771366 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)nc2)N1 ZINC000587771486 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)nc2)N1 ZINC000587771487 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)nc2)N1 ZINC000587771489 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)nc2)N1 ZINC000587771490 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587771704 EG Annotated Anodyne Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587771709 EG Annotated Anodyne Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587771710 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1 ZINC000587771712 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)n2)N1 ZINC000587772043 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)n2)N1 ZINC000587772044 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)n2)N1 ZINC000587772045 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)n2)N1 ZINC000587772047 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccn2)N1 ZINC000587772080 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccn2)N1 ZINC000587772082 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccn2)N1 ZINC000587772083 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccn2)N1 ZINC000587772084 EG Annotated Mild Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587772369 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587772372 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587772375 EG Annotated Anodyne Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587772377 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CNn3cccc32)N1 ZINC000587772409 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CNn3cccc32)N1 ZINC000587772412 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CNn3cccc32)N1 ZINC000587772415 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CNn3cccc32)N1 ZINC000587772417 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2O)N1 ZINC000587772440 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2O)N1 ZINC000587772442 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2O)N1 ZINC000587772445 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2O)N1 ZINC000587772446 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)n2)N1 ZINC000587772591 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)n2)N1 ZINC000587772593 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)n2)N1 ZINC000587772595 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)n2)N1 ZINC000587772597 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3ccnc32)N1 ZINC000587772725 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3ccnc32)N1 ZINC000587772726 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3ccnc32)N1 ZINC000587772727 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3ccnc32)N1 ZINC000587772728 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccn2)N1 ZINC000587772905 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccn2)N1 ZINC000587772907 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccn2)N1 ZINC000587772908 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccn2)N1 ZINC000587772910 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccn2)N1 ZINC000587773119 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccn2)N1 ZINC000587773121 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccn2)N1 ZINC000587773122 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccn2)N1 ZINC000587773123 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cn2)N1 ZINC000587773334 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cn2)N1 ZINC000587773335 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cn2)N1 ZINC000587773336 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cn2)N1 ZINC000587773337 EG Annotated Mild Cc1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773492 EG Annotated Anodyne Cc1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773493 EG Annotated Anodyne Cc1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773494 EG Annotated Anodyne Cc1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773495 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cn2)N1 ZINC000587773614 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cn2)N1 ZINC000587773616 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cn2)N1 ZINC000587773618 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cn2)N1 ZINC000587773620 EG Annotated Mild Cc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774116 EG Annotated Anodyne Cc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774118 EG Annotated Anodyne Cc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774119 EG Annotated Anodyne Cc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587774121 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)n2)N1 ZINC000587774264 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)n2)N1 ZINC000587774265 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)n2)N1 ZINC000587774266 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)n2)N1 ZINC000587774267 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccn2)N1 ZINC000587774316 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccn2)N1 ZINC000587774317 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccn2)N1 ZINC000587774318 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccn2)N1 ZINC000587774319 EG Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587774364 EG Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587774365 EG Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587774366 EG Annotated Anodyne Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587774367 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2O)N1 ZINC000587774496 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2O)N1 ZINC000587774497 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2O)N1 ZINC000587774498 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2O)N1 ZINC000587774499 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cn3ccnc3C2)N1 ZINC000587774641 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cn3ccnc3C2)N1 ZINC000587774642 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cn3ccnc3C2)N1 ZINC000587774643 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cn3ccnc3C2)N1 ZINC000587774644 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnccn2)N1 ZINC000587775001 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnccn2)N1 ZINC000587775002 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnccn2)N1 ZINC000587775003 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnccn2)N1 ZINC000587775004 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2O)N1 ZINC000587775037 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2O)N1 ZINC000587775038 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2O)N1 ZINC000587775039 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2O)N1 ZINC000587775040 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C#N)n2)N1 ZINC000587775045 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C#N)n2)N1 ZINC000587775046 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C#N)n2)N1 ZINC000587775047 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C#N)n2)N1 ZINC000587775048 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cn2)N1 ZINC000587775349 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cn2)N1 ZINC000587775350 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cn2)N1 ZINC000587775351 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cn2)N1 ZINC000587775352 EG Annotated Anodyne Cc1nccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775397 EG Annotated Anodyne Cc1nccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775398 EG Annotated Anodyne Cc1nccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775399 EG Annotated Anodyne Cc1nccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775400 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587775563 EG Annotated Anodyne Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587775564 EG Annotated Anodyne Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587775565 EG Annotated Anodyne Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1 ZINC000587775566 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(C#N)c2)N1 ZINC000587775685 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(C#N)c2)N1 ZINC000587775686 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(C#N)c2)N1 ZINC000587775687 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(C#N)c2)N1 ZINC000587775688 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cn3ccnc3C2)N1 ZINC000587775693 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cn3ccnc3C2)N1 ZINC000587775694 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cn3ccnc3C2)N1 ZINC000587775695 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cn3ccnc3C2)N1 ZINC000587775696 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(O)c2)N1 ZINC000587775697 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(O)c2)N1 ZINC000587775698 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(O)c2)N1 ZINC000587775699 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(O)c2)N1 ZINC000587775700 EG Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587775867 EG Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587775870 EG Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587775872 EG Annotated Anodyne Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587775875 EG Annotated Anodyne Cc1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587776045 EG Annotated Anodyne Cc1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587776046 EG Annotated Anodyne Cc1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587776047 EG Annotated Anodyne Cc1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587776048 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnccn2)N1 ZINC000587776388 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnccn2)N1 ZINC000587776389 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnccn2)N1 ZINC000587776390 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnccn2)N1 ZINC000587776391 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(O)c2)N1 ZINC000587776597 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(O)c2)N1 ZINC000587776599 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(O)c2)N1 ZINC000587776600 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(O)c2)N1 ZINC000587776602 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2O)N1 ZINC000587776906 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2O)N1 ZINC000587776908 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2O)N1 ZINC000587776909 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2O)N1 ZINC000587776911 EG Annotated Anodyne Cc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587776919 EG Annotated Anodyne Cc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587776920 EG Annotated Anodyne Cc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587776921 EG Annotated Anodyne Cc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587776924 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncn2)N1 ZINC000587777252 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncn2)N1 ZINC000587777254 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncn2)N1 ZINC000587777255 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncn2)N1 ZINC000587777257 EG Annotated Anodyne CCCOc1cc2nc(CC(=O)OCC)[nH]c2cc1Br ZINC000587777322 EG Annotated Anodyne CCCOc1cccc(Cc2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587777532 EG Annotated Anodyne CCOC(=O)Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587777562 EG Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc(C(=O)OC)nc3[nH]2)c1 ZINC000587777571 EG Annotated Anodyne CCOc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1C ZINC000587777800 EG Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587777812 EG Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587778023 EG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncn2)N1 ZINC000587778271 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncn2)N1 ZINC000587778273 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncn2)N1 ZINC000587778275 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncn2)N1 ZINC000587778276 EG Annotated Anodyne CCOCCOCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587778503 EG Annotated Anodyne CCOCCOCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587778790 EG Annotated Clean CCOc1ccc(OCC)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000587779139 EG Annotated Bother CCOCCOCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587779157 EG Annotated Anodyne CCOCCOCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587779277 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncnc2)N1 ZINC000587779350 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncnc2)N1 ZINC000587779353 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncnc2)N1 ZINC000587779355 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncnc2)N1 ZINC000587779357 EG Annotated Anodyne CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587779688 EG Annotated Anodyne CCOc1ccccc1OCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587779693 EG Annotated Anodyne CCOc1ccccc1OCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587779694 EG Annotated Anodyne CCOc1ccccc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587779716 EG Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1 ZINC000587779893 EG Annotated Anodyne CCOc1ccccc1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587779901 EG Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 ZINC000587779906 EG Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587779914 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncnc2)N1 ZINC000587779938 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncnc2)N1 ZINC000587779939 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncnc2)N1 ZINC000587779941 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncnc2)N1 ZINC000587779943 EG Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587780642 EG Annotated Mild CCOc1ccccc1OCc1nc2nc(Br)c[nH]c-2n1 ZINC000587780693 EG Annotated Anodyne CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587780822 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 ZINC000587780872 EG Annotated Anodyne CN(C)C(=O)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 ZINC000587780873 EG Annotated Anodyne O=C1COc2cc3[nH]c(COC/C=C\c4ccccc4)nc3cc2N1 ZINC000587781023 EG Annotated Anodyne O=C1COc2cc3[nH]c(COC/C=C/c4ccccc4)nc3cc2N1 ZINC000587781028 EG Annotated Anodyne Sc1nc(S)c2nc(COC/C=C\c3ccccc3)[nH]c2n1 ZINC000587781216 EG Annotated Anodyne O=C(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)OCc1ccccc1 ZINC000587781223 EG Annotated Anodyne Sc1nc(S)c2nc(COC/C=C/c3ccccc3)[nH]c2n1 ZINC000587781294 EG Annotated Anodyne Brc1c[nH]c2nc(COC/C=C\c3ccccc3)nc-2n1 ZINC000587781381 EG Annotated Anodyne Brc1c[nH]c2nc(COC/C=C/c3ccccc3)nc-2n1 ZINC000587781385 EG Annotated Anodyne O=C(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)OCc1ccccc1 ZINC000587781438 EG Annotated Anodyne O=C(Cc1nc2cc(Br)cnc2[nH]1)OCc1ccccc1 ZINC000587781575 EG Annotated Anodyne O=C(Cc1nc2cc3c(cc2[nH]1)OCCCO3)OCc1ccccc1 ZINC000587781576 EG Annotated Anodyne N=c1[nH]ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 ZINC000587781843 EG Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2c(O)ncnc2[nH]1 ZINC000587781905 EG Annotated Anodyne O=C(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCc1ccccc1 ZINC000587781984 EG Annotated Bother Cc1cc2[nH]c(CC(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587782084 EG Annotated Bother O=C(Cc1nc2ccnc(Br)c2[nH]1)OCc1ccccc1 ZINC000587782280 EG Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)c1 ZINC000587782302 EG Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1 ZINC000587782414 EG Annotated Mild O=C(Cc1nc2ccc(Br)nc2[nH]1)OCc1ccccc1 ZINC000587782434 EG Annotated Anodyne O=C(Cc1nc2cncc(Br)c2[nH]1)OCc1ccccc1 ZINC000587782443 EG Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 ZINC000587782470 EG Annotated Anodyne N=c1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c[nH]1 ZINC000587782526 EG Annotated Anodyne O=C(Cc1nc2cc(Br)ncc2[nH]1)OCc1ccccc1 ZINC000587782686 EG Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2)c1 ZINC000587782708 EG Annotated Anodyne O=C(Cc1nc2c(Br)ccnc2[nH]1)OCc1ccccc1 ZINC000587782844 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587782885 EG Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cnnc(O)c2[nH]1 ZINC000587783089 EG Annotated Anodyne Ic1ccc2nc(CCOCC3CC3)[nH]c2c1 ZINC000587783132 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587783212 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587783258 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cncc(Br)c2[nH]1 ZINC000587783263 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587783328 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587783343 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587783361 EG Annotated Mild COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587783362 EG Annotated Anodyne Ic1cccc2nc(CCOCC3CC3)[nH]c12 ZINC000587783367 EG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCOCC3CC3)[nH]c21 ZINC000587783401 EG Annotated Clean COC(=O)C[C@H](C)Cc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587783452 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587783536 EG Annotated Anodyne Clc1c(Br)cnc2[nH]c(CCOCC3CC3)nc12 ZINC000587783633 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587783652 EG Annotated Mild COC(=O)C[C@H](C)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587783695 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587783708 EG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587783722 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587783739 EG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCOCC3CC3)[nH]c12 ZINC000587783740 EG Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(CCOCC3CC3)[nH]c12 ZINC000587783913 EG Annotated Bother N=c1[nH]cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc-2[nH]1 ZINC000587783927 EG Annotated Anodyne N=c1[nH]cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc-2[nH]1 ZINC000587783928 EG Annotated Anodyne COc1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(OC)c1O ZINC000587784179 EG Annotated Mild Clc1ncc(Br)c2nc(CCOCC3CC3)[nH]c12 ZINC000587784310 EG Annotated Anodyne COc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(O)c1O ZINC000587784627 EG Annotated Clean COc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(O)c1O ZINC000587784628 EG Annotated Clean COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1C ZINC000587784741 EG Annotated Clean COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1C ZINC000587784743 EG Annotated Clean COC(=O)C[C@H](C)Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587784759 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587785110 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587785131 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587785144 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587785346 EG Annotated Anodyne COc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1C ZINC000587785506 EG Annotated Anodyne COc1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1O ZINC000587785564 EG Annotated Anodyne COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(O)c1O ZINC000587785587 EG Annotated Clean COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(O)c1O ZINC000587785595 EG Annotated Clean COc1ccc(C=O)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587785722 EG Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000587785757 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587785771 EG Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587785776 EG Annotated Mild COc1ccc(C)cc1C(=O)CCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587785810 EG Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587785822 EG Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccnc(OC)c2[nH]1 ZINC000587785866 EG Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587785913 EG Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587785961 EG Annotated Anodyne COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(O)c1O ZINC000587785962 EG Annotated Clean COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)ncnc2[nH]1 ZINC000587785967 EG Annotated Anodyne COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(O)c1O ZINC000587785969 EG Annotated Clean COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(OC)c1C ZINC000587786004 EG Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)cc1O ZINC000587786055 EG Annotated Anodyne COc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1F ZINC000587786153 EG Annotated Anodyne COc1cc(OC)c2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2c1 ZINC000587786173 EG Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)cc1O ZINC000587786272 EG Annotated Anodyne COc1cccc(C)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587786282 EG Annotated Bother COc1cc(/C=C\c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(O)c1O ZINC000587786284 EG Annotated Mild COc1cc(/C=C/c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(O)c1O ZINC000587786298 EG Annotated Mild COc1ccc(C)cc1C(=O)CCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587786310 EG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(C=O)ccc3OC)nc2c1 ZINC000587786318 EG Annotated Anodyne COc1cccc(C)c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587786360 EG Annotated Anodyne COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1F ZINC000587786389 EG Annotated Clean COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1F ZINC000587786392 EG Annotated Clean COc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(O)c1O ZINC000587786528 EG Annotated Clean COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(O)c1O ZINC000587786529 EG Annotated Clean COC(=O)C[C@H](C)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587786551 EG Annotated Bother COc1ccc(C)cc1C(=O)CCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587786562 EG Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Cl)ncc(F)c3[nH]2)c1OC ZINC000587786623 EG Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Cl)ncc(C)c3[nH]2)c1OC ZINC000587786661 EG Annotated Anodyne COc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(OC)c1C ZINC000587786770 EG Annotated Anodyne COc1cc(/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)cc(O)c1O ZINC000587786780 EG Annotated Clean COc1cc(/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)cc(O)c1O ZINC000587786782 EG Annotated Clean COC(=O)c1ccc2nc(-c3c(C)cccc3OC)[nH]c2c1OC ZINC000587787133 EG Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cnnc(O)c4[nH]3)c2)cc1O ZINC000587787169 EG Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1OC ZINC000587787215 EG Annotated Bother COc1ccc(C=O)c(-c2nc3c(F)c(F)c(F)cc3[nH]2)c1OC ZINC000587787221 EG Annotated Anodyne COc1cc2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2cc1OC ZINC000587787265 EG Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587787312 EG Annotated Anodyne COc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(OC)c1C ZINC000587787538 EG Annotated Anodyne COc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(OC)c1C ZINC000587787540 EG Annotated Anodyne COc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1O ZINC000587787754 EG Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587787919 EG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587787929 EG Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cncc(OC)c2[nH]1 ZINC000587788066 EG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(C=O)ccc3OC)[nH]c2c1 ZINC000587788081 EG Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(OC)c1C ZINC000587788152 EG Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(CCO)cc2[nH]1 ZINC000587788192 EG Annotated Anodyne COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cn1 ZINC000587788196 EG Annotated Anodyne COc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(OC)c1C ZINC000587788205 EG Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c12 ZINC000587788218 EG Annotated Anodyne COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(OC)c1C ZINC000587788232 EG Annotated Anodyne COc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(OC)c1C ZINC000587788279 EG Annotated Anodyne COc1ccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(OC)c1C ZINC000587788327 EG Annotated Mild COC(C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587788758 EG Annotated Anodyne COC(C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587788767 EG Annotated Anodyne COC(C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587788768 EG Annotated Anodyne COC(C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587788769 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(C#N)c2)N1 ZINC000587789083 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(C#N)c2)N1 ZINC000587789084 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(C#N)c2)N1 ZINC000587789085 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(C#N)c2)N1 ZINC000587789086 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCC[C@H]32)N1 ZINC000587789139 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCC[C@@H]32)N1 ZINC000587789141 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCC[C@H]32)N1 ZINC000587789143 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCC[C@@H]32)N1 ZINC000587789144 EG Annotated Anodyne CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587789225 EG Annotated Anodyne CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587789227 EG Annotated Anodyne CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587789228 EG Annotated Anodyne CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587789229 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNCC2)N1 ZINC000587789256 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNCC2)N1 ZINC000587789286 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNCC2)N1 ZINC000587789287 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNCC2)N1 ZINC000587789288 EG Annotated Anodyne Cc1cnc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587789462 EG Annotated Anodyne Cc1cnc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587789466 EG Annotated Anodyne Cc1cnc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587789468 EG Annotated Anodyne Cc1cnc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1 ZINC000587789470 EG Annotated Anodyne C[C@@H]1C[C@]2(CCN1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789565 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@H](C)C2)N1 ZINC000587789566 EG Annotated Anodyne C[C@@H]1C[C@@]2(CCN1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789568 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN[C@H](C)C2)N1 ZINC000587789569 EG Annotated Anodyne COC[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789635 EG Annotated Anodyne COC[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789653 EG Annotated Anodyne COC[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789657 EG Annotated Anodyne COC[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789660 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CC[C@H]2N3)N1 ZINC000587790205 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CC[C@H]2N3)N1 ZINC000587790209 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CC[C@H]2N3)N1 ZINC000587790211 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CC[C@H]2N3)N1 ZINC000587790214 EG Annotated Anodyne COC(/C=C/[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587790245 EG Annotated Anodyne COC(/C=C/[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587790247 EG Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c1OC ZINC000587790428 EG Annotated Mild COC(/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587790643 EG Annotated Anodyne COC(/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587790644 EG Annotated Anodyne CC(=O)O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790689 EG Annotated Anodyne CC(=O)O[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790690 EG Annotated Anodyne CC(=O)O[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790691 EG Annotated Anodyne CC(=O)O[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790692 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN3CCC2CC3)N1 ZINC000587790879 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN3CCC2CC3)N1 ZINC000587790880 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN3CCC2CC3)N1 ZINC000587790881 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN3CCC2CC3)N1 ZINC000587790882 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnnc2)N1 ZINC000587791002 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnnc2)N1 ZINC000587791004 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnnc2)N1 ZINC000587791006 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnnc2)N1 ZINC000587791008 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCNCC2)N1 ZINC000587791033 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCNCC2)N1 ZINC000587791034 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCNCC2)N1 ZINC000587791035 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCNCC2)N1 ZINC000587791037 EG Annotated Anodyne COC[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791463 EG Annotated Anodyne COC[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791464 EG Annotated Anodyne COC[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791465 EG Annotated Anodyne COC[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791466 EG Annotated Anodyne CC[C@]1(c2cn[nH]c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791541 EG Annotated Anodyne CC[C@@]1(c2cn[nH]c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791552 EG Annotated Anodyne CC[C@]1(c2cn[nH]c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791554 EG Annotated Anodyne CC[C@@]1(c2cn[nH]c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791557 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CC[C@H]2C3)N1 ZINC000587791687 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CC[C@H]2C3)N1 ZINC000587791690 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CC[C@H]2C3)N1 ZINC000587791693 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CC[C@H]2C3)N1 ZINC000587791695 EG Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)c1OC ZINC000587791724 EG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CC[C@H]2C3)N1 ZINC000587791771 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CC[C@H]2C3)N1 ZINC000587791773 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CC[C@H]2C3)N1 ZINC000587791775 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CC[C@H]2C3)N1 ZINC000587791776 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnn2)N1 ZINC000587791810 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnn2)N1 ZINC000587791812 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnn2)N1 ZINC000587791814 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnn2)N1 ZINC000587791815 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCC[C@@H]32)N1 ZINC000587791820 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCC[C@H]32)N1 ZINC000587791821 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCC[C@@H]32)N1 ZINC000587791822 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCC[C@H]32)N1 ZINC000587791824 EG Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792083 EG Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792088 EG Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792091 EG Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792094 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCCN2)N1 ZINC000587792206 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCCN2)N1 ZINC000587792207 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCCN2)N1 ZINC000587792208 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCCN2)N1 ZINC000587792209 EG Annotated Anodyne CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587792260 EG Annotated Anodyne CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587792261 EG Annotated Anodyne CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587792263 EG Annotated Anodyne CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587792265 EG Annotated Anodyne COC(C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587792754 EG Annotated Anodyne COC(C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587792755 EG Annotated Anodyne COC(C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587792756 EG Annotated Anodyne COC(C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587792757 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCN2)N1 ZINC000587792892 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCN2)N1 ZINC000587792895 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCN2)N1 ZINC000587792898 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCN2)N1 ZINC000587792900 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNCC2(C)C)N1 ZINC000587792985 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNCC2(C)C)N1 ZINC000587792988 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNCC2(C)C)N1 ZINC000587792990 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNCC2(C)C)N1 ZINC000587792992 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CC[C@H]2N3)N1 ZINC000587793275 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CC[C@H]2N3)N1 ZINC000587793276 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CC[C@H]2N3)N1 ZINC000587793277 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CC[C@H]2N3)N1 ZINC000587793278 EG Annotated Anodyne C#CCCOC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793512 EG Annotated Mild C#CCCOC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793513 EG Annotated Mild C#CCCOC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793514 EG Annotated Mild C#CCCOC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793515 EG Annotated Mild C#CCCOC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793524 EG Annotated Mild C#CCCOC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793525 EG Annotated Mild C#CCCOC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793526 EG Annotated Mild C#CCCOC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793527 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNCC2)N1 ZINC000587793716 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNCC2)N1 ZINC000587793717 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNCC2)N1 ZINC000587793718 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNCC2)N1 ZINC000587793719 EG Annotated Anodyne CCOC(=O)/C=C/[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794216 EG Annotated Anodyne CCOC(=O)/C=C/[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794239 EG Annotated Anodyne CCOC(=O)/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794240 EG Annotated Anodyne CCOC(=O)/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794241 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCNCC2)N1 ZINC000587794288 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCNCC2)N1 ZINC000587794289 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCNCC2)N1 ZINC000587794290 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCNCC2)N1 ZINC000587794291 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCN2)N1 ZINC000587794352 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCN2)N1 ZINC000587794353 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCN2)N1 ZINC000587794355 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCN2)N1 ZINC000587794357 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnnc2)N1 ZINC000587794412 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnnc2)N1 ZINC000587794414 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnnc2)N1 ZINC000587794416 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnnc2)N1 ZINC000587794417 EG Annotated Anodyne Cc1nonc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794592 EG Annotated Anodyne Cc1nonc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794598 EG Annotated Anodyne Cc1nonc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794600 EG Annotated Anodyne Cc1nonc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794603 EG Annotated Anodyne COC(C)(OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795034 EG Annotated Anodyne COC(C)(OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795036 EG Annotated Anodyne COC(C)(OC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795037 EG Annotated Anodyne COC(C)(OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795039 EG Annotated Anodyne CC[C@]1(c2cn[nH]c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795111 EG Annotated Anodyne CC[C@@]1(c2cn[nH]c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795114 EG Annotated Anodyne COC(C)(OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795116 EG Annotated Anodyne CC[C@]1(c2cn[nH]c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795117 EG Annotated Anodyne COC(C)(OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795119 EG Annotated Anodyne CC[C@@]1(c2cn[nH]c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795120 EG Annotated Anodyne COC(C)(OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795122 EG Annotated Anodyne COC(C)(OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795124 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNCC2(C)C)N1 ZINC000587795205 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNCC2(C)C)N1 ZINC000587795208 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNCC2(C)C)N1 ZINC000587795211 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNCC2(C)C)N1 ZINC000587795214 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(C#N)c2)N1 ZINC000587795460 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(C#N)c2)N1 ZINC000587795461 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(C#N)c2)N1 ZINC000587795463 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(C#N)c2)N1 ZINC000587795465 EG Annotated Mild Cc1cnc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587795546 EG Annotated Anodyne Cc1cnc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587795547 EG Annotated Anodyne Cc1cnc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587795548 EG Annotated Anodyne Cc1cnc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1 ZINC000587795549 EG Annotated Anodyne CC(=O)O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795580 EG Annotated Anodyne CC(=O)O[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795581 EG Annotated Anodyne CC(=O)O[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795582 EG Annotated Anodyne CC(=O)O[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795583 EG Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795769 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](C)N[C@H](C)C2)N1 ZINC000587795787 EG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795790 EG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795793 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN3CCC2CC3)N1 ZINC000587795911 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN3CCC2CC3)N1 ZINC000587795915 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN3CCC2CC3)N1 ZINC000587795920 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN3CCC2CC3)N1 ZINC000587795923 EG Annotated Anodyne Cc1nonc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796177 EG Annotated Anodyne Cc1nonc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796178 EG Annotated Anodyne Cc1nonc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796180 EG Annotated Anodyne Cc1nonc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796182 EG Annotated Anodyne COC(/C=C/[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587796688 EG Annotated Anodyne COC(/C=C/[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587796689 EG Annotated Anodyne COC(/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587796690 EG Annotated Anodyne COC(/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587796691 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3)N1 ZINC000587796700 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3)N1 ZINC000587796701 EG Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797234 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](C)N[C@H](C)C2)N1 ZINC000587797235 EG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797236 EG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797237 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCCN2)N1 ZINC000587797314 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCCN2)N1 ZINC000587797315 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCCN2)N1 ZINC000587797317 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCCN2)N1 ZINC000587797318 EG Annotated Anodyne C[C@@H]1C[C@]2(CCN1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797332 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@H](C)C2)N1 ZINC000587797334 EG Annotated Anodyne C[C@@H]1C[C@@]2(CCN1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797337 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN[C@H](C)C2)N1 ZINC000587797338 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3)N1 ZINC000587797414 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3)N1 ZINC000587797416 EG Annotated Anodyne Cc1n[nH]cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797440 EG Annotated Anodyne Cc1n[nH]cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797441 EG Annotated Anodyne Cc1n[nH]cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797443 EG Annotated Anodyne Cc1n[nH]cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797445 EG Annotated Anodyne CCOC(=O)[C@H](C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797658 EG Annotated Anodyne CCOC(=O)[C@H](C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797660 EG Annotated Anodyne CCOC(=O)[C@H](C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797661 EG Annotated Anodyne CCOC(=O)[C@H](C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797663 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCNC2)N1 ZINC000587798066 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCNC2)N1 ZINC000587798069 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCNC2)N1 ZINC000587798071 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCNC2)N1 ZINC000587798074 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnn2)N1 ZINC000587798904 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnn2)N1 ZINC000587798905 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnn2)N1 ZINC000587798906 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnn2)N1 ZINC000587798907 EG Annotated Anodyne CCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798958 EG Annotated Anodyne CCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798959 EG Annotated Anodyne CCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798960 EG Annotated Anodyne CCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798961 EG Annotated Anodyne Cc1n[nH]cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799159 EG Annotated Anodyne Cc1n[nH]cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799160 EG Annotated Anodyne Cc1n[nH]cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799412 EG Annotated Anodyne Cc1n[nH]cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799413 EG Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799940 EG Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799941 EG Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799942 EG Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799943 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCNC2)N1 ZINC000587800100 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCNC2)N1 ZINC000587800101 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCNC2)N1 ZINC000587800102 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCNC2)N1 ZINC000587800103 EG Annotated Anodyne CCOC(=O)[C@H](C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800272 EG Annotated Anodyne CCOC(=O)[C@H](C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800273 EG Annotated Anodyne CCOC(=O)[C@H](C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800274 EG Annotated Anodyne CCOC(=O)[C@H](C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800275 EG Annotated Anodyne CCOC(=O)/C=C/[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800756 EG Annotated Anodyne CCOC(=O)/C=C/[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800757 EG Annotated Anodyne CCOC(=O)/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800758 EG Annotated Anodyne CCOC(=O)/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800759 EG Annotated Anodyne CCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800784 EG Annotated Anodyne CCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800785 EG Annotated Anodyne CCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800786 EG Annotated Anodyne CCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800787 EG Annotated Anodyne COC(=O)CC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803381 EG Annotated Anodyne COC(=O)CC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803382 EG Annotated Anodyne COC(=O)CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803383 EG Annotated Anodyne COC(=O)CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803384 EG Annotated Anodyne COC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804605 EG Annotated Anodyne COC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804607 EG Annotated Anodyne COC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804611 EG Annotated Anodyne COC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804612 EG Annotated Anodyne CC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804761 EG Annotated Anodyne CC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804763 EG Annotated Anodyne CC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804764 EG Annotated Anodyne CC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804766 EG Annotated Anodyne COC(=O)C[C@H](C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804796 EG Annotated Anodyne COC(=O)C[C@H](C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804798 EG Annotated Anodyne COC(=O)C[C@H](C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804799 EG Annotated Anodyne COC(=O)C[C@H](C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804801 EG Annotated Anodyne COC(=O)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805496 EG Annotated Anodyne COC(=O)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805497 EG Annotated Anodyne COC(=O)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805499 EG Annotated Anodyne COC(=O)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805500 EG Annotated Anodyne COC(=O)C[C@H](C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806067 EG Annotated Anodyne COC(=O)C[C@H](C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806068 EG Annotated Anodyne COC(=O)C[C@H](C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806069 EG Annotated Anodyne COC(=O)C[C@H](C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806070 EG Annotated Anodyne COC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806071 EG Annotated Anodyne COC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806073 EG Annotated Anodyne COC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806074 EG Annotated Anodyne COC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806075 EG Annotated Anodyne COC(=O)/C=C/[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807099 EG Annotated Anodyne COC(=O)/C=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807113 EG Annotated Anodyne COC(=O)/C=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807114 EG Annotated Anodyne COC(=O)/C=C/[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807117 EG Annotated Anodyne COC(=O)CC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807604 EG Annotated Anodyne COC(=O)CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807605 EG Annotated Anodyne COC(=O)CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807606 EG Annotated Anodyne COC(=O)CC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807608 EG Annotated Anodyne COCOCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808103 EG Annotated Anodyne COCOCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808120 EG Annotated Anodyne COCOCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808122 EG Annotated Anodyne COCOCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808124 EG Annotated Anodyne COC(=O)C(C)(C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808276 EG Annotated Anodyne COC(=O)C(C)(C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808277 EG Annotated Anodyne COC(=O)C(C)(C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808278 EG Annotated Anodyne COC(=O)C(C)(C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808279 EG Annotated Anodyne COC[C@@H](C)OC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808664 EG Annotated Anodyne CC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808667 EG Annotated Anodyne CC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808668 EG Annotated Anodyne CC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808671 EG Annotated Anodyne CC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808673 EG Annotated Anodyne COC[C@@H](C)OC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808675 EG Annotated Anodyne COC[C@H](C)OC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808678 EG Annotated Anodyne COC[C@@H](C)OC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808680 EG Annotated Anodyne COC[C@H](C)OC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808683 EG Annotated Anodyne COC[C@H](C)OC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808684 EG Annotated Anodyne COC[C@@H](C)OC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808687 EG Annotated Anodyne COC[C@H](C)OC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808689 EG Annotated Anodyne COC(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809061 EG Annotated Anodyne COC(=O)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809062 EG Annotated Anodyne COC(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809063 EG Annotated Anodyne COC(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809064 EG Annotated Anodyne CC(=O)OC1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809077 EG Annotated Anodyne CC(=O)OC1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809079 EG Annotated Anodyne COC(=O)C(C)(C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809582 EG Annotated Anodyne COC(=O)C(C)(C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809586 EG Annotated Anodyne COC(=O)C(C)(C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809590 EG Annotated Anodyne COC(=O)C(C)(C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809592 EG Annotated Anodyne COC(=O)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810230 EG Annotated Anodyne COC(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810231 EG Annotated Anodyne COC(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810232 EG Annotated Anodyne COC(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810233 EG Annotated Anodyne COC(=O)/C=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810638 EG Annotated Anodyne COC(=O)/C=C/[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810640 EG Annotated Anodyne COC(=O)/C=C/[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810643 EG Annotated Anodyne COC(=O)/C=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810645 EG Annotated Anodyne COCOCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810668 EG Annotated Anodyne COCOCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810670 EG Annotated Anodyne COCOCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810671 EG Annotated Anodyne COCOCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810674 EG Annotated Anodyne COC[C@H](C)OC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811525 EG Annotated Anodyne COC[C@@H](C)OC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811527 EG Annotated Anodyne COC[C@@H](C)OC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811530 EG Annotated Anodyne COC[C@H](C)OC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811532 EG Annotated Anodyne COC[C@H](C)OC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811535 EG Annotated Anodyne COC[C@@H](C)OC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811537 EG Annotated Anodyne COC[C@@H](C)OC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811539 EG Annotated Anodyne COC[C@H](C)OC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811542 EG Annotated Anodyne COC(=O)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812566 EG Annotated Anodyne COC(=O)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812567 EG Annotated Anodyne COC(=O)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812568 EG Annotated Anodyne COC(=O)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812569 EG Annotated Anodyne CC(=O)OC1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813363 EG Annotated Anodyne CC(=O)OC1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813365 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)[C@@H]2C)N1 ZINC000587816557 EG Annotated Anodyne C[C@@H]1C(=O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587816558 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)[C@@H]2C)N1 ZINC000587816559 EG Annotated Anodyne C[C@@H]1C(=O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587816560 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=CC=CC2=O)N1 ZINC000587816773 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=CC=CC2=O)N1 ZINC000587816774 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=CC=CC2=O)N1 ZINC000587816775 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=CC=CC2=O)N1 ZINC000587816776 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(=O)CC2)N1 ZINC000587816943 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(=O)CC2)N1 ZINC000587816944 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H]2CC3=O)N1 ZINC000587817327 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H]2CC3=O)N1 ZINC000587817328 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H]2CC3=O)N1 ZINC000587817329 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H]2CC3=O)N1 ZINC000587817330 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)C2)N1 ZINC000587817343 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)C2)N1 ZINC000587817344 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)C2)N1 ZINC000587817345 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)C2)N1 ZINC000587817346 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=CCC2=O)N1 ZINC000587817347 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=CCC2=O)N1 ZINC000587817348 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=CCC2=O)N1 ZINC000587817349 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=CCC2=O)N1 ZINC000587817350 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)[C@@H]2C)N1 ZINC000587817365 EG Annotated Anodyne C[C@@H]1C(=O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817366 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)[C@@H]2C)N1 ZINC000587817367 EG Annotated Anodyne C[C@@H]1C(=O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587817368 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=CC=CC2=O)N1 ZINC000587817804 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=CC=CC2=O)N1 ZINC000587817807 EG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=CC=CC2=O)N1 ZINC000587817810 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=CC=CC2=O)N1 ZINC000587817813 EG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)C2)N1 ZINC000587818316 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)C2)N1 ZINC000587818317 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)C2)N1 ZINC000587818318 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)C2)N1 ZINC000587818319 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC2=O)N1 ZINC000587818398 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC2=O)N1 ZINC000587818399 EG Annotated Anodyne C[C@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818410 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C)C2=O)N1 ZINC000587818411 EG Annotated Anodyne C[C@H]1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818412 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C)C2=O)N1 ZINC000587818413 EG Annotated Anodyne CC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818454 EG Annotated Mild CC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818455 EG Annotated Mild CC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818456 EG Annotated Mild CC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587818457 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC2=O)N1 ZINC000587818600 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC2=O)N1 ZINC000587818601 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(=O)CC2)N1 ZINC000587818932 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(=O)CC2)N1 ZINC000587818933 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=CCC2=O)N1 ZINC000587818960 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=CCC2=O)N1 ZINC000587818961 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=CCC2=O)N1 ZINC000587818962 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=CCC2=O)N1 ZINC000587818963 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC2=O)N1 ZINC000587819230 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC2=O)N1 ZINC000587819231 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC2=O)N1 ZINC000587819232 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC2=O)N1 ZINC000587819233 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H]2CC3=O)N1 ZINC000587819951 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H]2CC3=O)N1 ZINC000587819953 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H]2CC3=O)N1 ZINC000587819954 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H]2CC3=O)N1 ZINC000587819955 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)CC2)N1 ZINC000587820160 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)CC2)N1 ZINC000587820165 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)CC2)N1 ZINC000587820167 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)CC2)N1 ZINC000587820168 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(=O)O)N1 ZINC000587820566 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(=O)O)N1 ZINC000587820567 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(=O)O)N1 ZINC000587820568 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(=O)O)N1 ZINC000587820569 EG Annotated Anodyne CC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822276 EG Annotated Mild CC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822278 EG Annotated Mild CC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822281 EG Annotated Mild CC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822285 EG Annotated Mild C[C@H]1CCC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822298 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CC[C@H]2C ZINC000587822299 EG Annotated Anodyne C[C@H]1CCC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822300 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CC[C@H]2C ZINC000587822301 EG Annotated Anodyne CC1=CC(=O)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823990 EG Annotated Mild CC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823991 EG Annotated Mild CC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823993 EG Annotated Mild CC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823994 EG Annotated Mild C[C@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824029 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C)C2=O)N1 ZINC000587824031 EG Annotated Anodyne C[C@H]1CC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587824033 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C)C2=O)N1 ZINC000587824035 EG Annotated Anodyne C[C@H]1CCC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824207 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CC[C@H]2C ZINC000587824208 EG Annotated Anodyne C[C@H]1CCC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824210 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CC[C@H]2C ZINC000587824211 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(CO)C2)N1 ZINC000587824525 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(CO)C2)N1 ZINC000587824532 EG Annotated Anodyne CC1=CC(=O)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824613 EG Annotated Mild CC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824614 EG Annotated Mild CC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824615 EG Annotated Mild CC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824616 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C(=O)O)CC2)N1 ZINC000587824953 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C(=O)O)CC2)N1 ZINC000587824954 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C(=O)O)CC2)N1 ZINC000587824955 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C(=O)O)CC2)N1 ZINC000587824956 EG Annotated Anodyne CC(C)[C@]1(CCO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825110 EG Annotated Anodyne CC(C)[C@]1(CCO)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825113 EG Annotated Anodyne CC(C)[C@@]1(CCO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825114 EG Annotated Anodyne CC(C)[C@@]1(CCO)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825116 EG Annotated Anodyne CCC[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825208 EG Annotated Anodyne CCC[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825212 EG Annotated Anodyne CCC[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825214 EG Annotated Anodyne CCC[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825217 EG Annotated Anodyne C[C@@H](CC(=O)O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825434 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C)CC(=O)O)N1 ZINC000587825435 EG Annotated Anodyne C[C@@H](CC(=O)O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825436 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C)CC(=O)O)N1 ZINC000587825437 EG Annotated Anodyne C[C@H](O)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825693 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](C)O)N1 ZINC000587825694 EG Annotated Anodyne C[C@H](O)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825695 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](C)O)N1 ZINC000587825696 EG Annotated Anodyne C[C@@H](CC(=O)O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826141 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C)CC(=O)O)N1 ZINC000587826142 EG Annotated Anodyne C[C@@H](CC(=O)O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826143 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C)CC(=O)O)N1 ZINC000587826144 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2CO)N1 ZINC000587826279 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2CO)N1 ZINC000587826280 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2CO)N1 ZINC000587826281 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2CO)N1 ZINC000587826282 EG Annotated Anodyne CC[C@H](C)[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826442 EG Annotated Anodyne CC[C@H](C)[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826444 EG Annotated Anodyne CC[C@H](C)[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826445 EG Annotated Anodyne CC[C@H](C)[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826446 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)O)N1 ZINC000587826721 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)O)N1 ZINC000587826732 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)O)N1 ZINC000587826734 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)O)N1 ZINC000587826737 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C(=O)O)CC2)N1 ZINC000587827097 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C(=O)O)CC2)N1 ZINC000587827098 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C(=O)O)CC2)N1 ZINC000587827100 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C(=O)O)CC2)N1 ZINC000587827101 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3C[C@H]2CC3=O)N1 ZINC000587827278 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3C[C@H]2CC3=O)N1 ZINC000587827279 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3C[C@H]2CC3=O)N1 ZINC000587827281 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3C[C@H]2CC3=O)N1 ZINC000587827284 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C(=O)O)CC2)N1 ZINC000587827402 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C(=O)O)CC2)N1 ZINC000587827403 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C(=O)O)CC2)N1 ZINC000587827404 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C(=O)O)CC2)N1 ZINC000587827405 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C(=O)O)C2)N1 ZINC000587827706 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C(=O)O)C2)N1 ZINC000587827707 EG Annotated Anodyne CC(C)C[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827967 EG Annotated Anodyne CC(C)C[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827968 EG Annotated Anodyne CC(C)C[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827969 EG Annotated Anodyne CC(C)C[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827970 EG Annotated Anodyne CC[C@@]1(CC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827999 EG Annotated Anodyne CC[C@]1(CC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828000 EG Annotated Anodyne CC[C@@]1(CC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828001 EG Annotated Anodyne CC[C@]1(CC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828002 EG Annotated Anodyne CC(C)[C@]1(CCO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828178 EG Annotated Anodyne CC(C)[C@]1(CCO)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828179 EG Annotated Anodyne CC(C)[C@@]1(CCO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828181 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C(C)(C)C)N1 ZINC000587828243 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C(C)(C)C)N1 ZINC000587828244 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C(C)(C)C)N1 ZINC000587828245 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C(C)(C)C)N1 ZINC000587828246 EG Annotated Anodyne CC(C)[C@@]1(CCO)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828290 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2CO)N1 ZINC000587828291 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2CO)N1 ZINC000587828292 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2CO)N1 ZINC000587828294 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2CO)N1 ZINC000587828295 EG Annotated Anodyne CC(C)[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828297 EG Annotated Anodyne CC(C)[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828298 EG Annotated Anodyne CC(C)[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828300 EG Annotated Anodyne CC(C)[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828302 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CO)o2)N1 ZINC000587828555 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CO)o2)N1 ZINC000587828556 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CO)o2)N1 ZINC000587828558 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CO)o2)N1 ZINC000587828560 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C(=O)O)CC2)N1 ZINC000587828676 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C(=O)O)CC2)N1 ZINC000587828678 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C(=O)O)CC2)N1 ZINC000587828682 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C(=O)O)CC2)N1 ZINC000587828684 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)C2)N1 ZINC000587828800 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)C2)N1 ZINC000587828802 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)C2)N1 ZINC000587828803 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)C2)N1 ZINC000587828805 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)C2)N1 ZINC000587828806 EG Annotated Anodyne CC(C)[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828825 EG Annotated Anodyne CC(C)[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828826 EG Annotated Anodyne CC(C)[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828827 EG Annotated Anodyne CC1=C[C@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828894 EG Annotated Anodyne CC1=C[C@@]2(CC(=O)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828895 EG Annotated Anodyne CC1=C[C@@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828896 EG Annotated Anodyne CC1=C[C@]2(CC(=O)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828897 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)C2)N1 ZINC000587829019 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)O)N1 ZINC000587829033 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)O)N1 ZINC000587829035 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)O)N1 ZINC000587829037 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)O)N1 ZINC000587829038 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(CO)C2)N1 ZINC000587829055 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(CO)C2)N1 ZINC000587829056 EG Annotated Anodyne CC(C)[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829060 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C(=O)O)C2)N1 ZINC000587829096 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C(=O)O)C2)N1 ZINC000587829097 EG Annotated Anodyne C[C@H](O)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829122 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](C)O)N1 ZINC000587829124 EG Annotated Anodyne C[C@H](O)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829126 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](C)O)N1 ZINC000587829128 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)CC2)N1 ZINC000587829459 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)CC2)N1 ZINC000587829460 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)CC2)N1 ZINC000587829461 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)CC2)N1 ZINC000587829462 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)C2)N1 ZINC000587829535 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)C2)N1 ZINC000587829536 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)C2)N1 ZINC000587829538 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)C2)N1 ZINC000587829539 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)C2)N1 ZINC000587829541 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)C2)N1 ZINC000587829543 EG Annotated Anodyne CCC[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829604 EG Annotated Anodyne CCC[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829605 EG Annotated Anodyne CCC[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829606 EG Annotated Anodyne CCC[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829607 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C(C)(C)C)N1 ZINC000587830186 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C(C)(C)C)N1 ZINC000587830187 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C(C)(C)C)N1 ZINC000587830189 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C(C)(C)C)N1 ZINC000587830191 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(=O)O)N1 ZINC000587830251 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(=O)O)N1 ZINC000587830252 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(=O)O)N1 ZINC000587830254 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(=O)O)N1 ZINC000587830256 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(COC(C)(C)OC2)N1 ZINC000587830335 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(COC(C)(C)OC2)N1 ZINC000587830341 EG Annotated Anodyne C[C@@H](C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O ZINC000587830544 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H](C)C(=O)O)N1 ZINC000587830546 EG Annotated Anodyne C[C@@H](C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O ZINC000587830548 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](C)C(=O)O)N1 ZINC000587830549 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)C2)N1 ZINC000587830575 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)C2)N1 ZINC000587830578 EG Annotated Anodyne C[C@@H](C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O ZINC000587830583 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H](C)C(=O)O)N1 ZINC000587830585 EG Annotated Anodyne C[C@@H](C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O ZINC000587830588 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](C)C(=O)O)N1 ZINC000587830590 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)CC2)N1 ZINC000587830619 EG Annotated Anodyne CC[C@H](C)[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830628 EG Annotated Anodyne CC[C@H](C)[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830629 EG Annotated Anodyne CC[C@H](C)[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830630 EG Annotated Anodyne CC[C@H](C)[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830631 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)CC2)N1 ZINC000587830633 EG Annotated Anodyne CC(C)C[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831248 EG Annotated Anodyne CC(C)C[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831251 EG Annotated Anodyne CC(C)C[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831254 EG Annotated Anodyne CC(C)C[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831257 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3C[C@H]2CC3=O)N1 ZINC000587831387 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3C[C@H]2CC3=O)N1 ZINC000587831389 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3C[C@H]2CC3=O)N1 ZINC000587831391 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3C[C@H]2CC3=O)N1 ZINC000587831393 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CO)o2)N1 ZINC000587831433 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CO)o2)N1 ZINC000587831434 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CO)o2)N1 ZINC000587831435 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CO)o2)N1 ZINC000587831436 EG Annotated Anodyne CC1=C[C@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831628 EG Annotated Anodyne CC1=C[C@@]2(CC(=O)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831629 EG Annotated Anodyne CC1=C[C@@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831630 EG Annotated Anodyne CC1=C[C@]2(CC(=O)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831631 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)C2)N1 ZINC000587831743 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)C2)N1 ZINC000587831747 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](O)[C@H](C)C2)N1 ZINC000587831779 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](O)[C@H](C)C2)N1 ZINC000587831785 EG Annotated Anodyne C[C@H]1C[C@@]2(CC[C@@H]1O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831788 EG Annotated Anodyne C[C@H]1C[C@@]2(CC[C@H]1O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587831791 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2[C@H]3COC[C@H]23)N1 ZINC000587832021 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@@H]3COC[C@@H]32)N1 ZINC000587832034 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2[C@@H]3COC[C@@H]32)N1 ZINC000587832036 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2[C@@H]3COC[C@@H]23)N1 ZINC000587832037 EG Annotated Anodyne CC[C@@]1(CC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832613 EG Annotated Anodyne CC[C@]1(CC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832614 EG Annotated Anodyne CC[C@@]1(CC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832616 EG Annotated Anodyne CC[C@]1(CC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832617 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCOC2)N1 ZINC000587832782 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCOC2)N1 ZINC000587832783 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCOC2)N1 ZINC000587832785 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCOC2)N1 ZINC000587832786 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](O)C2(C)C)N1 ZINC000587832976 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](O)C2(C)C)N1 ZINC000587832977 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](O)C2(C)C)N1 ZINC000587832978 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](O)C2(C)C)N1 ZINC000587832979 EG Annotated Anodyne C[C@H]1C[C@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833138 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCOC2)N1 ZINC000587833139 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)O[C@H](C)C2)N1 ZINC000587833140 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCOC2)N1 ZINC000587833141 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCOC2)N1 ZINC000587833143 EG Annotated Anodyne C[C@H]1C[C@@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833144 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCOC2)N1 ZINC000587833145 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)O[C@H](C)C2)N1 ZINC000587833147 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=COCCO2)N1 ZINC000587833317 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=COCCO2)N1 ZINC000587833318 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=COCCO2)N1 ZINC000587833319 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=COCCO2)N1 ZINC000587833320 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=COCCO2)N1 ZINC000587833520 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=COCCO2)N1 ZINC000587833530 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=COCCO2)N1 ZINC000587833532 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=COCCO2)N1 ZINC000587833535 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=COCCO2)N1 ZINC000587833613 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=COCCO2)N1 ZINC000587833615 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=COCCO2)N1 ZINC000587833617 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=COCCO2)N1 ZINC000587833618 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C)COC2)N1 ZINC000587833720 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C)COC2)N1 ZINC000587833723 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C)COC2)N1 ZINC000587833725 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C)COC2)N1 ZINC000587833727 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)CC2)N1 ZINC000587833776 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)CC2)N1 ZINC000587833779 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2[C@@H]3COC[C@@H]32)N1 ZINC000587833811 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@@H]3COC[C@@H]32)N1 ZINC000587833813 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2[C@@H]3COC[C@@H]23)N1 ZINC000587833814 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2[C@H]3COC[C@H]23)N1 ZINC000587833815 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(COC(C)(C)OC2)N1 ZINC000587834147 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(COC(C)(C)OC2)N1 ZINC000587834148 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C)COC2)N1 ZINC000587834304 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C)COC2)N1 ZINC000587834305 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C)COC2)N1 ZINC000587834307 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C)COC2)N1 ZINC000587834310 EG Annotated Anodyne C[C@H]1C[C@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834364 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)O[C@H](C)C2)N1 ZINC000587834365 EG Annotated Anodyne C[C@H]1C[C@@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834367 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)O[C@H](C)C2)N1 ZINC000587834369 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](O)C2(C)C)N1 ZINC000587834427 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](O)C2(C)C)N1 ZINC000587834428 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](O)C2(C)C)N1 ZINC000587834429 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](O)C2(C)C)N1 ZINC000587834430 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](O)[C@H](C)C2)N1 ZINC000587834582 EG Annotated Anodyne C[C@H]1C[C@@]2(CC[C@H]1O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834583 EG Annotated Anodyne C[C@H]1C[C@@]2(CC[C@@H]1O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834585 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](O)[C@H](C)C2)N1 ZINC000587834587 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=COCCO2)N1 ZINC000587834933 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=COCCO2)N1 ZINC000587834934 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=COCCO2)N1 ZINC000587834935 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=COCCO2)N1 ZINC000587834937 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2COC2)N1 ZINC000587835202 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2COC2)N1 ZINC000587835203 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2COC2)N1 ZINC000587835205 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2COC2)N1 ZINC000587835206 EG Annotated Anodyne C[C@@H]1COCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587835818 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2C)N1 ZINC000587835820 EG Annotated Anodyne C[C@@H]1COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587835821 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@@H]2C)N1 ZINC000587835823 EG Annotated Anodyne C[C@@H]1COCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836093 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2C)N1 ZINC000587836094 EG Annotated Anodyne C[C@@H]1COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836097 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@@H]2C)N1 ZINC000587836098 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(COC3)C2)N1 ZINC000587836467 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(COC3)C2)N1 ZINC000587836468 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(COC3)C2)N1 ZINC000587836530 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(COC3)C2)N1 ZINC000587836531 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2COC2)N1 ZINC000587837097 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2COC2)N1 ZINC000587837098 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2COC2)N1 ZINC000587837099 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2COC2)N1 ZINC000587837100 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCO[C@@H]32)N1 ZINC000587837335 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCO[C@@H]32)N1 ZINC000587837336 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCO[C@@H]32)N1 ZINC000587837337 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCO[C@@H]32)N1 ZINC000587837338 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCO[C@@H]32)N1 ZINC000587837685 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCO[C@@H]32)N1 ZINC000587837686 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCO[C@@H]32)N1 ZINC000587837687 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCO[C@@H]32)N1 ZINC000587837688 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC(C)(C)O2)N1 ZINC000587838899 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC(C)(C)O2)N1 ZINC000587838901 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC(C)(C)O2)N1 ZINC000587838902 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC(C)(C)O2)N1 ZINC000587838903 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3C=C[C@@H](C2)O3)N1 ZINC000587840072 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3C=C[C@@H](C2)O3)N1 ZINC000587840073 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3O[C@H]32)N1 ZINC000587840914 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3O[C@@H]32)N1 ZINC000587840915 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3O[C@@H]32)N1 ZINC000587840916 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3O[C@H]32)N1 ZINC000587840917 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3C=C[C@@H](C2)O3)N1 ZINC000587842099 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3C=C[C@@H](C2)O3)N1 ZINC000587842100 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC(C)(C)O2)N1 ZINC000587842605 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC(C)(C)O2)N1 ZINC000587842607 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC(C)(C)O2)N1 ZINC000587842609 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC(C)(C)O2)N1 ZINC000587842610 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3O[C@@H]32)N1 ZINC000587844822 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3O[C@@H]32)N1 ZINC000587844823 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3O[C@H]32)N1 ZINC000587844824 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3O[C@H]32)N1 ZINC000587844825 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COC(C)(C)O2)N1 ZINC000587846375 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COC(C)(C)O2)N1 ZINC000587846376 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COC(C)(C)O2)N1 ZINC000587846377 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COC(C)(C)O2)N1 ZINC000587846378 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COC(C)(C)O2)N1 ZINC000587850596 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COC(C)(C)O2)N1 ZINC000587850597 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COC(C)(C)O2)N1 ZINC000587850598 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COC(C)(C)O2)N1 ZINC000587850599 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)s2)N1 ZINC000587851438 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)s2)N1 ZINC000587851471 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)s2)N1 ZINC000587851473 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)s2)N1 ZINC000587851474 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)s2)N1 ZINC000587852960 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)s2)N1 ZINC000587852961 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)s2)N1 ZINC000587852962 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)s2)N1 ZINC000587852963 EG Annotated Anodyne Cc1nnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853743 EG Annotated Anodyne Cc1nnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853756 EG Annotated Anodyne Cc1nnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853759 EG Annotated Anodyne Cc1nnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587853762 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(=N)s2)N1 ZINC000587853810 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(=N)s2)N1 ZINC000587853815 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(=N)s2)N1 ZINC000587853817 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(=N)s2)N1 ZINC000587853819 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=NCCS2)N1 ZINC000587853851 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=NCCS2)N1 ZINC000587853882 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=NCCS2)N1 ZINC000587853884 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=NCCS2)N1 ZINC000587853886 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csnn2)N1 ZINC000587854018 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csnn2)N1 ZINC000587854019 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csnn2)N1 ZINC000587854020 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csnn2)N1 ZINC000587854021 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(=N)s2)N1 ZINC000587854573 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(=N)s2)N1 ZINC000587854576 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(=N)s2)N1 ZINC000587854578 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(=N)s2)N1 ZINC000587854580 EG Annotated Anodyne Cc1nnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587854678 EG Annotated Anodyne Cc1nnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587854679 EG Annotated Anodyne Cc1nnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587854680 EG Annotated Anodyne Cc1nnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587854681 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnns2)N1 ZINC000587854946 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnns2)N1 ZINC000587854953 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnns2)N1 ZINC000587854957 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnns2)N1 ZINC000587854960 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSCC(=O)C2)N1 ZINC000587855047 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSCC(=O)C2)N1 ZINC000587855065 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CSCC(=O)C2)N1 ZINC000587855067 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSCC(=O)C2)N1 ZINC000587855068 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSC[C@@H]2C#N)N1 ZINC000587855099 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSC[C@H]2C#N)N1 ZINC000587855102 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSC[C@H]2C#N)N1 ZINC000587855103 EG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSC[C@@H]2C#N)N1 ZINC000587855104 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csnn2)N1 ZINC000587856524 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csnn2)N1 ZINC000587856525 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csnn2)N1 ZINC000587856527 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csnn2)N1 ZINC000587856529 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSCC(=O)C2)N1 ZINC000587857049 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSCC(=O)C2)N1 ZINC000587857053 EG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CSCC(=O)C2)N1 ZINC000587857056 EG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSCC(=O)C2)N1 ZINC000587857060 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSC[C@@H]2C#N)N1 ZINC000587857078 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSC[C@H]2C#N)N1 ZINC000587857081 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSC[C@H]2C#N)N1 ZINC000587857085 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSC[C@@H]2C#N)N1 ZINC000587857088 EG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=NCCS2)N1 ZINC000587857588 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=NCCS2)N1 ZINC000587857589 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=NCCS2)N1 ZINC000587857591 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=NCCS2)N1 ZINC000587857592 EG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCO ZINC000587858058 EG Annotated Anodyne Cc1nnsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858212 EG Annotated Anodyne Cc1nnsc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858214 EG Annotated Anodyne Cc1nnsc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858216 EG Annotated Anodyne Cc1nnsc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858218 EG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN(C)C ZINC000587859156 EG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NCCN1 ZINC000587859193 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnns2)N1 ZINC000587859697 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnns2)N1 ZINC000587859698 EG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnns2)N1 ZINC000587859699 EG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnns2)N1 ZINC000587859700 EG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NCCCN1 ZINC000587859736 EG Annotated Anodyne Cc1nnsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587859943 EG Annotated Anodyne Cc1nnsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587859944 EG Annotated Anodyne Cc1nnsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587859945 EG Annotated Anodyne Cc1nnsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587859946 EG Annotated Anodyne CCOCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861663 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ncccn1 ZINC000587861758 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccon1 ZINC000587861848 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1ccncn1 ZINC000587862199 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccnn1 ZINC000587862202 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN(C)C ZINC000587862319 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCOC1 ZINC000587862350 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCOC1 ZINC000587862351 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)OC ZINC000587862413 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)OC ZINC000587862414 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cocn1 ZINC000587862440 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(O)ncn1 ZINC000587862468 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccncn1 ZINC000587862521 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnccn1 ZINC000587862545 EG Annotated Anodyne CCNCCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862639 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cnccn1 ZINC000587862695 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnco1 ZINC000587862828 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N(C)C ZINC000587863007 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ncccn1 ZINC000587863078 EG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(O)n1 ZINC000587863131 EG Annotated Anodyne C=CCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863140 EG Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(C)(C)O ZINC000587863844 EG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COC ZINC000587864504 EG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCO ZINC000587864768 EG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NC ZINC000587866416 EG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1=NCCCN1 ZINC000587866897 EG Annotated Anodyne C=C(c1cnccn1)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867266 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccn1 ZINC000587867334 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC1CC1 ZINC000587867348 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccnc1 ZINC000587867361 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(F)n1 ZINC000587867405 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccncc1 ZINC000587867509 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=N)c1ccccn1 ZINC000587867539 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(F)c1 ZINC000587867558 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@@H]1CCC[C@H]1O ZINC000587867773 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1CCOCC1 ZINC000587867790 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C#N)n1 ZINC000587867799 EG Annotated Mild CCCCNC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867802 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@@H]1CCCC[C@H]1O ZINC000587867812 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1oc(C)nc1C#N ZINC000587867853 EG Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)ncn1 ZINC000587867875 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(O)c1 ZINC000587868081 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccoc1 ZINC000587868105 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)nc(C)n1 ZINC000587868124 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COC(C)C ZINC000587868128 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(F)cn1 ZINC000587868162 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C)nn1 ZINC000587868182 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C)cc1N ZINC000587868227 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1F ZINC000587868300 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccnc1C ZINC000587868493 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCC1 ZINC000587868682 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(F)(F)F ZINC000587868691 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C#N)cn1 ZINC000587868700 EG Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C#N)ccn1 ZINC000587868711 EG Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccco1 ZINC000587868737 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)cc(C)n1 ZINC000587868741 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1C#N ZINC000587868755 EG Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@H]1C ZINC000587868959 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@H]1C ZINC000587868960 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@@H]1C ZINC000587868961 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@@H]1C ZINC000587868962 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cncc(C)n1 ZINC000587868983 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(C)s1 ZINC000587869136 EG Annotated Anodyne CCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869632 EG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1CCN(C)CC1 ZINC000587869899 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1N ZINC000587870148 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)ccn1 ZINC000587870159 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](O)c1ccccc1 ZINC000587870251 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](O)c1ccccc1 ZINC000587870260 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)cn1 ZINC000587870291 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnc(C)nc1C ZINC000587870294 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)NC(CC)CC ZINC000587870400 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(OC)n1 ZINC000587870446 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccn1 ZINC000587870467 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(Cl)cn1 ZINC000587870484 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(O)ccc1O ZINC000587870545 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN(CC)CC ZINC000587870552 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(Cl)cc1N ZINC000587870554 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccncc1F ZINC000587870646 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ncccc1C ZINC000587870676 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCC(F)(F)F ZINC000587870742 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc(Cl)c1N ZINC000587870758 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(C)n1 ZINC000587870789 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(O)c(O)c1 ZINC000587870844 EG Annotated Clean CCOc1cc(-c2cccc(F)c2)nn1-c1nc(OC)ncc1F ZINC000587870905 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)on1 ZINC000587870940 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccnc1OC ZINC000587871003 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccncc1 ZINC000587871063 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)nc1 ZINC000587871080 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C)cc1C ZINC000587871116 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)cc(CC)n1 ZINC000587871119 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccncc1[N+](=O)[O-] ZINC000587871134 EG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Cl)cnn1C ZINC000587871172 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCC(F)(F)F ZINC000587871203 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnc(Cl)cn1 ZINC000587871221 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1n[nH]cc1Cl ZINC000587871349 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nn1CC ZINC000587871395 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nncc(N)c1Cl ZINC000587871540 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cnnc(O)c1Cl ZINC000587871551 EG Annotated Anodyne CCOc1cc(-n2nc(-c3cccc(F)c3)cc2OCC)ncn1 ZINC000587871591 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccn1C ZINC000587871596 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn(CC)nc1C ZINC000587871715 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)cc(OC)n1 ZINC000587871718 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1nccc1C ZINC000587871782 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nccc1C ZINC000587871784 EG Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ncc(Br)cn3)c2c1 ZINC000587871808 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(COC)s1 ZINC000587871818 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)n(CC)n1 ZINC000587871865 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)c(CC)c(O)n1 ZINC000587871872 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1oc(C)nc1C ZINC000587871886 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)c(C)c(O)n1 ZINC000587871912 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(C)[nH]n1 ZINC000587872257 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1[N+](=O)[O-] ZINC000587872366 EG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCc1ccco1 ZINC000587872382 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cccn1 ZINC000587872392 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cccn1 ZINC000587872394 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cc(C)cn1 ZINC000587872402 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cc(C)cn1 ZINC000587872403 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc(C)cn1 ZINC000587872429 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1CCCC1 ZINC000587872597 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CC1CCNCC1 ZINC000587872644 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(C)CC1 ZINC000587872685 EG Annotated Anodyne COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c(O)c1 ZINC000587873004 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCCCC1 ZINC000587873030 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)N1CCSCC1 ZINC000587873120 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NC(=O)C(C)(C)C ZINC000587873151 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCSC ZINC000587873158 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1ccc(C)n1 ZINC000587873336 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1ccc(C)n1 ZINC000587873337 EG Annotated Anodyne O=C(c1n[nH]cc1Br)n1nc2cc1oc1ccc(F)cc21 ZINC000587873343 EG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1ccc(C)n1 ZINC000587873365 EG Annotated Anodyne Cc1nn(C)c(C(=O)n2nc3cc2oc2ccc(F)cc32)c1Cl ZINC000587873422 EG Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873469 EG Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873475 EG Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc(Cl)nc4[nH]cnc34)c2c1 ZINC000587873508 EG Annotated Anodyne O=C(c1cn2cc(F)ccc2n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873532 EG Annotated Anodyne CCn1ncc(Cl)c1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873559 EG Annotated Anodyne Cc1noc2ncc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc12 ZINC000587873574 EG Annotated Anodyne CN(CC(=O)n1nc2cc1oc1ccc(F)cc21)C(=O)OC(C)(C)C ZINC000587873594 EG Annotated Anodyne C=CCn1ncc(-n2nc3cc2oc2ccc(F)cc32)c(Cl)c1=O ZINC000587873751 EG Annotated Mild CS(=O)(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)c(F)c1 ZINC000587873845 EG Annotated Anodyne COc1cccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1O ZINC000587873847 EG Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873882 EG Annotated Anodyne O=C(c1cc(C(F)(F)F)n[nH]1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873926 EG Annotated Anodyne Nc1cc(CC(=O)n2nc3cc2oc2ccc(F)cc32)ccc1O ZINC000587873993 EG Annotated Anodyne Cc1c(Cl)c(C(=O)n2nc3cc2oc2ccc(F)cc32)nn1C ZINC000587874039 EG Annotated Anodyne O=C(c1ccc2c(c1)OCCO2)n1nc2cc1oc1ccc(F)cc21 ZINC000587874059 EG Annotated Anodyne CC(C)(C)OC(=O)NCCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874095 EG Annotated Anodyne O=C(COc1ccccc1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874110 EG Annotated Anodyne CCn1ncc(-n2nc3cc2oc2ccc(F)cc32)c(Cl)c1=O ZINC000587874125 EG Annotated Anodyne Cc1c(O)ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1O ZINC000587874152 EG Annotated Anodyne CS(=O)(=O)c1cc(F)ccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587874212 EG Annotated Anodyne O=C(Nc1ccc(F)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874256 EG Annotated Anodyne CCn1cc(Cl)c(C(=O)n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587874295 EG Annotated Anodyne Cc1nn(CC(=O)n2nc3cc2oc2ccc(F)cc32)cc1Cl ZINC000587874336 EG Annotated Anodyne O=C(O)c1cc(Cl)nnc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587874397 EG Annotated Anodyne O=C([C@@H]1COc2ccccc2O1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874451 EG Annotated Anodyne O=C([C@H]1COc2ccccc2O1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874452 EG Annotated Anodyne O=C(c1cc([N+](=O)[O-])ccc1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874662 EG Annotated Bother Nc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc([N+](=O)[O-])c1 ZINC000587874703 EG Annotated Bother Cn1c(-n2nc3cc2oc2ccc(F)cc32)nc2ccccc2c1=O ZINC000587874795 EG Annotated Anodyne Cc1c(-c2ccnc(-n3nc4cc3oc3ccc(F)cc43)n2)cnn1C ZINC000587874917 EG Annotated Anodyne CCOC(=O)c1cnc(-n2nc3cc2oc2ccc(F)cc32)nc1C ZINC000587874970 EG Annotated Anodyne O=C(c1cccc([N+](=O)[O-])c1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874971 EG Annotated Bother C[C@H]1CN(CCC(=O)n2nc3cc2oc2ccc(F)cc32)C[C@H](C)O1 ZINC000587875139 EG Annotated Anodyne O=C(NCC(=O)n1nc2cc1oc1ccc(F)cc21)c1cccs1 ZINC000587875145 EG Annotated Anodyne C[C@H]1CN(CCC(=O)n2nc3cc2oc2ccc(F)cc32)C[C@@H](C)O1 ZINC000587875146 EG Annotated Anodyne C[C@@H]1CN(CCC(=O)n2nc3cc2oc2ccc(F)cc32)C[C@@H](C)O1 ZINC000587875147 EG Annotated Anodyne Cc1nn(C)cc1-c1ccnc(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587875387 EG Annotated Anodyne O=C(c1nnc(O)c2ccccc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587875505 EG Annotated Anodyne CN(C)Cc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)o1 ZINC000587875566 EG Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)NCCN3CCCCC3)c2c1 ZINC000587875714 EG Annotated Anodyne O=S(=O)(O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587875785 EG Annotated Anodyne O=C(Cc1cn2ccccc2n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875808 EG Annotated Anodyne CCOc1oc(C(=O)n2nc3cc2oc2ccc(F)cc32)nc1C ZINC000587875959 EG Annotated Anodyne O=C(c1cc(-c2ccncc2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876275 EG Annotated Anodyne Cc1[nH]nc2ncc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc12 ZINC000587876335 EG Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)NCc3cccnc3)c2c1 ZINC000587876349 EG Annotated Anodyne O=C(c1cc(-c2ccc[nH]2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876370 EG Annotated Anodyne CS(=O)(=O)c1cccc(-n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587876688 EG Annotated Anodyne Cc1nn(CC(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1C ZINC000587876690 EG Annotated Anodyne Cn1c(=O)c(-n2nc3cc2oc2ccc(F)cc32)nc2ccccc21 ZINC000587876717 EG Annotated Anodyne CS(=O)(=O)c1ccccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587876881 EG Annotated Anodyne Cn1ccc(-c2ccnc(-n3nc4cc3oc3ccc(F)cc43)n2)n1 ZINC000587876964 EG Annotated Anodyne O=C(c1cc(-c2cc[nH]c2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876973 EG Annotated Anodyne Cc1cc(C)n(CCC(=O)n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587877055 EG Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)NCCc3ccccn3)c2c1 ZINC000587877127 EG Annotated Anodyne COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C#N)c1N ZINC000587899340 EG Annotated Mild COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(C)c1N ZINC000587899444 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1O ZINC000587899534 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc([N+](=O)[O-])c1O ZINC000587899884 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C#N)cc([N+](=O)[O-])c1N ZINC000587900144 EG Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c(O)c([N+](=O)[O-])c1 ZINC000587900334 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)c(O)c(OC)c1OC ZINC000587900483 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(NC=O)c1[N+](=O)[O-] ZINC000587900486 EG Annotated Mild COC(=O)c1ccc(N)c(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587901352 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1[C@@H](CN)N(C)C ZINC000587901581 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1[C@H](CN)N(C)C ZINC000587901582 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1CNC1COC1 ZINC000587901751 EG Annotated Mild CCOC(=O)c1c(C#Cc2cc(Cl)ccc2OC)c(C)nn1CC ZINC000587902243 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1noc(CN)n1 ZINC000587902271 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(CCN(C)C)c1C ZINC000587902278 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn([C@H]2CCCCO2)c1C=O ZINC000587902372 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn([C@@H]2CCCCO2)c1C=O ZINC000587902378 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc(C(=O)O)c(C#N)c1C ZINC000587902405 EG Annotated Mild CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C(=O)OC ZINC000587902512 EG Annotated Mild COC(=O)CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587902558 EG Annotated Mild COC(=O)c1nc(C2CC2)ncc1C#Cc1cc(Cl)ccc1OC ZINC000587902759 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(N)[nH]nc2nc1C1CC1 ZINC000587902789 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1N1CC[C@H](N)C1 ZINC000587902814 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1N1CC[C@@H](N)C1 ZINC000587902816 EG Annotated Mild CCOC(=O)Cn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587902827 EG Annotated Mild COC(=O)[C@@H](C)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587902848 EG Annotated Mild COC(=O)[C@H](C)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587902852 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c(-c2ccncc2)nc1=N ZINC000587902869 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCOCC2)nc1C ZINC000587902905 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnnc(O)c1Br ZINC000587902938 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn([C@H](C)C(=O)O)c1C ZINC000587903072 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn([C@@H](C)C(=O)O)c1C ZINC000587903073 EG Annotated Mild CCCN=c1[nH]c(Cl)ncc1C#Cc1cc(Cl)ccc1OC ZINC000587903090 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c[nH]c1=N ZINC000587903124 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@@H](C)C(=O)O)c1C ZINC000587903157 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@H](C)C(=O)O)c1C ZINC000587903158 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(N)nc1Cl ZINC000587903166 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)cnc1N1CCCC1 ZINC000587903183 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Cl)nc(=N)[nH]c1Cl ZINC000587903430 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2cc[nH]c2nc1C(=O)O ZINC000587903436 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)c(O)c([N+](=O)[O-])c1 ZINC000587903488 EG Annotated Mild COC(=O)c1nc2[nH]ccc2cc1C#Cc1cc(Cl)ccc1OC ZINC000587903513 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)cnnc1O ZINC000587903582 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nc2n[nH]c(N)c2c1C ZINC000587903607 EG Annotated Mild COC(=O)c1n[nH]c(C2CC2)c1C#Cc1cc(Cl)ccc1OC ZINC000587903971 EG Annotated Mild CCn1cc(-c2n[nH]cc2C#Cc2cc(Cl)ccc2OC)cn1 ZINC000587903973 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc([C@@H]2CNCCO2)c1 ZINC000587904877 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc([C@H]2CNCCO2)c1 ZINC000587904878 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc(N2CCCC2=O)c1 ZINC000587905014 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(-n2ncc(C#N)c2N)c1 ZINC000587905067 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc(O[C@H]2CCOC2)c1 ZINC000587905442 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc(O[C@@H]2CCOC2)c1 ZINC000587905443 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNC(=N)O2)cc1 ZINC000587906485 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNC(=N)O2)cc1 ZINC000587906486 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cnnc(=N)[nH]2)cc1 ZINC000587906548 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNCCO2)cc1 ZINC000587906712 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNCCO2)cc1 ZINC000587906713 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(=O)c(C#N)c[nH]c2c1 ZINC000587907025 EG Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc2[nH]ncc12 ZINC000587907141 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1O)NC(=O)CC2 ZINC000587907162 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000587907176 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)c2c(c1)CCN2C(C)=O ZINC000587907193 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)NC(=O)C2=O ZINC000587907265 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)CN(C)C(=O)C2 ZINC000587907267 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCC(O)CC2)nc1 ZINC000587907564 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000587907591 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c2oc(=N)[nH]c2c1 ZINC000587907865 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)C(=O)C(=O)N2 ZINC000587907885 EG Annotated Mild COCCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1 ZINC000587907957 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)C(=O)C(=O)N2C ZINC000587908062 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]cc(Br)c1=O ZINC000587908073 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)C(=O)C(=O)N2 ZINC000587908101 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@H](N)C2)cc1 ZINC000587908205 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@@H](N)C2)cc1 ZINC000587908206 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)cncc1Br ZINC000587908312 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(OC)c1)OCC(=O)N2 ZINC000587908319 EG Annotated Mild CCOCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1 ZINC000587908361 EG Annotated Mild COCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1 ZINC000587908377 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]cc(Br)c1=N ZINC000587908430 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)c(=N)[nH]n2C ZINC000587908545 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C#N)c(=O)c2c1 ZINC000587908593 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)N/C(=C\C#N)N2 ZINC000587908743 EG Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)N/C(=C/C#N)N2 ZINC000587908746 EG Annotated Reactive CCOC(Cn1cc(C#Cc2cc(Cl)ccc2OC)cn1)OCC ZINC000587908771 EG Annotated Mild CCN=c1[nH]cc(C#Cc2cc(Cl)ccc2OC)c(C)c1[N+](=O)[O-] ZINC000587908830 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(Cc2ccccc2)[nH]c1=N ZINC000587908949 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c(=N)cc1Br ZINC000587909140 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c(=N)c([N+](=O)[O-])c1Cl ZINC000587909201 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@@H](CN)CO2 ZINC000587909354 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@H](CN)CO2 ZINC000587909355 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2cc(Cl)ncn2)c1 ZINC000587909356 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCCC2)c(N)c1 ZINC000587909390 EG Annotated Mild CCOC(=O)[C@H](C)Cn1cc(C#Cc2cc(Cl)ccc2OC)cn1 ZINC000587909428 EG Annotated Mild CCOC(=O)[C@@H](C)Cn1cc(C#Cc2cc(Cl)ccc2OC)cn1 ZINC000587909432 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C#N)c2[nH]ccc(=O)c2c1 ZINC000587909437 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(=N)[nH]cc1Br ZINC000587909561 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2nc(C)cnc2C)c1 ZINC000587909625 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(Cl)nn2)c1 ZINC000587909701 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(C(C)(C)O)nc2c1 ZINC000587909880 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C)c2c1C(=O)C(=O)N2 ZINC000587910028 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1CCNCC2 ZINC000587910116 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1)NC(=O)C[C@@H](C)N2 ZINC000587910127 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1)NC(=O)C[C@H](C)N2 ZINC000587910128 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]nc1-c1cnn(C)c1C ZINC000587910208 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c([C@H](C)O)nc2c1 ZINC000587910307 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c([C@@H](C)O)nc2c1 ZINC000587910308 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2cc(O)nc(O)c2c1 ZINC000587910360 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(=N)c(Br)c[nH]1 ZINC000587910436 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(=O)c(Br)c[nH]1 ZINC000587910440 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(=N)[nH]c1Br ZINC000587910451 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(Br)cc1N ZINC000587910471 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(N)cc1Br ZINC000587910542 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)ccc1N ZINC000587910575 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N)c(Br)n1 ZINC000587910594 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c(N)n1 ZINC000587910600 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(C2(C)OCCO2)n1 ZINC000587910630 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)cnc1Br ZINC000587910776 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]c(=N)ccc1Br ZINC000587910797 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(N2CCC(O)CC2)n1 ZINC000587910890 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1C[C@@H](C)NC2=O ZINC000587911086 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1C[C@H](C)NC2=O ZINC000587911087 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc2c(=O)oc(O)nc12 ZINC000587911122 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)ccc2c1C(=O)C(=O)N2 ZINC000587911138 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc2c1NC(=O)C2=O ZINC000587911185 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c(O)nc(O)nc12 ZINC000587911219 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2[nH]c(=N)oc12 ZINC000587911286 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2[nH]c(=N)oc12 ZINC000587911327 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C=O)cc2c1OCCO2 ZINC000587911389 EG Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c2c(c1)NC(=O)CO2 ZINC000587911395 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C)c2ncnc(OC)c12 ZINC000587911404 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)ncn1C ZINC000587911467 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1O[C@H](C)C(=O)N2 ZINC000587911577 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1O[C@@H](C)C(=O)N2 ZINC000587911578 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc2c1N(C)C(=O)C2=O ZINC000587911623 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)nc2c1NCCC2 ZINC000587911639 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(=O)Cl)nn2cccnc12 ZINC000587911724 EG Annotated Reactive COc1ccc(Cl)cc1C#Cc1ncn(C)c1Br ZINC000587911762 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C#N)cnn1-c1ccccn1 ZINC000587911834 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Br)n1C ZINC000587911846 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C)c(Br)n1 ZINC000587911888 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c(=O)c(C#N)c[nH]c12 ZINC000587911942 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c[n+]1[O-] ZINC000587911984 EG Annotated Mild COC(=O)c1cccn2c(C#Cc3cc(Cl)ccc3OC)cnc12 ZINC000587911993 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]nc2cc(C(=O)O)ccc12 ZINC000587911997 EG Annotated Mild COc1ccc(Cl)cc1C#CC1=CC[C@H](C(=O)N(C)OC)CC1 ZINC000587912083 EG Annotated Mild COc1ccc(Cl)cc1C#CC1=CC[C@@H](C(=O)N(C)OC)CC1 ZINC000587912084 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccn2cc(C(=O)O)nc12 ZINC000587912146 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(C(=O)O)cn2c1 ZINC000587912182 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2ccc([N+](=O)[O-])cn12 ZINC000587912227 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(CCN)cn2c1 ZINC000587912349 EG Annotated Mild COc1ccc(Cl)cc1C#CC1=CC(=O)N(c2ccccc2)C1=O ZINC000587912490 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c([N+](=O)[O-])cccn12 ZINC000587912509 EG Annotated Mild COC(=O)c1cn2ccc(C#Cc3cc(Cl)ccc3OC)cc2n1 ZINC000587912529 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)n2cccn2)o1 ZINC000587912567 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2cc([N+](=O)[O-])ccn12 ZINC000587912589 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(C#N)c(OC)ccn12 ZINC000587912619 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(=N)[nH]cn2)o1 ZINC000587912645 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cn2cc(C(=O)O)nc12 ZINC000587912670 EG Annotated Mild COC(=O)c1ccn2c(C#Cc3cc(Cl)ccc3OC)cnc2c1 ZINC000587912675 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(Br)[n+]1[O-] ZINC000587912738 EG Annotated Mild COc1ccc(Cl)cc1C#C/C=C1\OC(=O)C=C1Br ZINC000587912751 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(=O)O)nc2cc(C)ccn12 ZINC000587912759 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(CN)cn2c1 ZINC000587912789 EG Annotated Mild COc1ccc(Cl)cc1C#CC1=CC(=O)O/C1=C\Br ZINC000587912796 EG Annotated Mild COc1ccc(Cl)cc1C#CC1=CC(=O)O/C1=C/Br ZINC000587912807 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cn2ccnc12 ZINC000587912824 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1n[nH]c2nc(C)nc(Cl)c12 ZINC000587912841 EG Annotated Mild COC(=O)c1cn2c(C#Cc3cc(Cl)ccc3OC)cccc2n1 ZINC000587913055 EG Annotated Mild COC(=O)c1cccn2cc(C#Cc3cc(Cl)ccc3OC)nc12 ZINC000587913073 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C)c2nc(C)nc(Cl)c12 ZINC000587913090 EG Annotated Mild COC(=O)c1c[nH]c2nc(C#Cc3cc(Cl)ccc3OC)ccc12 ZINC000587913113 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2[nH]cc(C(=O)O)c2cn1 ZINC000587913115 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C)cc1Br ZINC000587913135 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2cc(C(=O)O)[nH]c2cn1 ZINC000587913200 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2ncc([N+](=O)[O-])n2c1 ZINC000587913213 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1nccc(Br)c1N ZINC000587913239 EG Annotated Mild COC(=O)c1ccc2c(C#Cc3cc(Cl)ccc3OC)[nH]nc2c1 ZINC000587913261 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C)nc1Br ZINC000587913300 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C(=O)O)c2n1 ZINC000587913316 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2cc(C(=O)O)[nH]c2n1 ZINC000587913378 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]c(C(=O)O)cc2n1 ZINC000587913568 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(Br)nc1C#N ZINC000587913582 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C)c(C(F)(F)F)cc1=O ZINC000587914727 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(F)c1NC1=NCCN1 ZINC000587915993 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)ncc1F ZINC000587916092 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(=O)oc(O)nc2cc1F ZINC000587916186 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc2c(=O)oc(O)nc12 ZINC000587916195 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc2c1NC(=O)C2=O ZINC000587916569 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)ccc1-c1n[nH]c(=N)o1 ZINC000587916619 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(=N)[nH][nH]2)c(F)c1 ZINC000587916642 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc2c1OCC(=O)N2 ZINC000587916703 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)cc1-c1n[nH]c(=N)o1 ZINC000587916833 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1F)OCC(=O)N2 ZINC000587916968 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1F)NC(=O)C2=O ZINC000587917070 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2nc[nH]c(=N)c2c1 ZINC000587917184 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(F)c(=O)c(Cl)cn1C ZINC000587917271 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2c[nH]c(=N)nc2c1 ZINC000587917320 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2nnn(C)c2c(F)c1F ZINC000587917321 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)c2c1C(=O)C(=O)N2 ZINC000587917443 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)cc2nc(O)n(C)c12 ZINC000587917518 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(F)c2c1NC(=O)C2=O ZINC000587917815 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(=N)[nH]n(C)c2cc1F ZINC000587917860 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c2c(c1)NC(=O)CO2 ZINC000587917873 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)o1 ZINC000587918361 EG Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(C(=O)O)s1 ZINC000587918813 EG Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(C=O)s1 ZINC000587918917 EG Annotated Mild COC(=O)c1sc(C)c(C#Cc2cc(Cl)ccc2OC)c1N ZINC000587919048 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccsc1CN1CCNCC1 ZINC000587919090 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1n[nH]c2nc(SC)ncc12 ZINC000587919164 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(-c2n[nH]c(=N)o2)c1 ZINC000587919217 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1S)OCC(=O)N2 ZINC000587919307 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(CN2CCNCC2)c1 ZINC000587919321 EG Annotated Mild COc1ccc(C#Cc2cc(Cl)ccc2OC)c(C(N)=S)c1 ZINC000587919404 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cn2cc(C(=O)O)nc2s1 ZINC000587920184 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(N2CCC(O)CC2)n1 ZINC000587920290 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(C=O)c2c1OCCO2 ZINC000587920626 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2sc(C(=O)O)cn12 ZINC000587920701 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNCCN2)s1 ZINC000587920710 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNCCN2)s1 ZINC000587920711 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(CN2CCNCC2)s1 ZINC000587921139 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2n[nH]c(=N)o2)s1 ZINC000587921163 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cnnc(=N)[nH]2)s1 ZINC000587921247 EG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2sc(N)[n+]([O-])c2c1 ZINC000587921268 EG Annotated Mild C=C1NC(=O)c2cc(C#Cc3cc(Cl)ccc3OC)sc2N1 ZINC000587921392 EG Annotated Mild N#Cc1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1 ZINC000587921623 EG Annotated Mild N#Cc1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1 ZINC000587921624 EG Annotated Mild C/C=C1\NNC(=O)C(c2nc(-c3ccc(C#N)cc3)cs2)=C1CC ZINC000587921754 EG Annotated Mild C/C=C1/NNC(=O)C(c2nc(-c3ccc(C#N)cc3)cs2)=C1CC ZINC000587921755 EG Annotated Mild N#Cc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1 ZINC000587921775 EG Annotated Mild CCN(c1ccc(-c2csc(-c3cnco3)n2)cc1)S(C)(=O)=O ZINC000587923587 EG Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1 ZINC000587924438 EG Annotated Anodyne C=C1NNC(=O)C(c2nc(-c3ccc(SC)cc3)cs2)=C1C ZINC000587924834 EG Annotated Anodyne COc1cc(C)ccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587924867 EG Annotated Anodyne Cc1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1 ZINC000587924971 EG Annotated Anodyne COc1ccc(CCCc2nc3ccc(CCO)cc3[nH]2)cc1OC ZINC000587925049 EG Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC ZINC000587925080 EG Annotated Anodyne COc1ccc(CCCc2nc3cnc(Cl)[nH]c-3n2)cc1OC ZINC000587925103 EG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(N)c(N)cc3[nH]2)cc1OC ZINC000587925179 EG Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(N)c(N)cc3[nH]2)cc1OC ZINC000587925185 EG Annotated Anodyne COc1ccc(CCCc2nc3cncc(OC)c3[nH]2)cc1OC ZINC000587925225 EG Annotated Anodyne COc1cc(C)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587925284 EG Annotated Bother Cc1ccccc1-c1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587925320 EG Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1OC ZINC000587925395 EG Annotated Anodyne COc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1OC ZINC000587925401 EG Annotated Anodyne COc1ccc(CCCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587925411 EG Annotated Bother O=C(O)c1cc(O)cc(-n2c(O)ccc2OCCc2ccccc2)c1 ZINC000587925451 EG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3c(OC)ccc(OC)c3OC)nc2c1 ZINC000587925454 EG Annotated Anodyne COc1ccc(OC)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1OC ZINC000587925515 EG Annotated Bother C=C(C(=O)O)c1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587925523 EG Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cncc(OC)c3[nH]2)cc1OC ZINC000587925685 EG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cncc(OC)c3[nH]2)cc1OC ZINC000587925687 EG Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(CO)cc3[nH]2)cc1OC ZINC000587925704 EG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(CO)cc3[nH]2)cc1OC ZINC000587925705 EG Annotated Anodyne COc1ccc(CCCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1OC ZINC000587925802 EG Annotated Mild COc1ccc(OC)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1OC ZINC000587926079 EG Annotated Anodyne COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1OC ZINC000587926132 EG Annotated Bother COc1ccc(CCCc2nc3nc(Cl)c[nH]c-3n2)cc1OC ZINC000587926166 EG Annotated Anodyne COc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC ZINC000587926169 EG Annotated Bother O=C(O)c1cc(O)cc(-n2c(O)cc(-c3cccc(F)c3)c2O)c1 ZINC000587926233 EG Annotated Anodyne COc1ccc(CCCc2nc3ccnc(OC)c3[nH]2)cc1OC ZINC000587926354 EG Annotated Anodyne COc1cc(C2(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CC2)ccc1C ZINC000587926385 EG Annotated Anodyne COc1ccc(CCCc2nc3ccc(CO)cc3[nH]2)cc1OC ZINC000587926424 EG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(C)cc3OC)[nH]c2c1OC ZINC000587926440 EG Annotated Anodyne COC(=O)c1cccc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c12 ZINC000587926617 EG Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cnc(Cl)[nH]c-3n2)cc1OC ZINC000587926645 EG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cnc(Cl)[nH]c-3n2)cc1OC ZINC000587926646 EG Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccnc(OC)c3[nH]2)cc1OC ZINC000587926709 EG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccnc(OC)c3[nH]2)cc1OC ZINC000587926710 EG Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1OC ZINC000587926784 EG Annotated Anodyne O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccc(F)cc3)c2O)c1 ZINC000587926821 EG Annotated Anodyne COc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1F ZINC000587926848 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc12 ZINC000587926865 EG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587926882 EG Annotated Bother COc1ccc(C[C@@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587926884 EG Annotated Bother COc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cn1 ZINC000587927055 EG Annotated Anodyne COc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cn1 ZINC000587927057 EG Annotated Anodyne O=C(O)CCc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587927275 EG Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(CCO)cc3[nH]2)cc1OC ZINC000587927302 EG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(CCO)cc3[nH]2)cc1OC ZINC000587927304 EG Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587927435 EG Annotated Anodyne O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccccc3F)c2O)c1 ZINC000587927754 EG Annotated Anodyne COc1ccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC ZINC000587927768 EG Annotated Bother COc1ccc(OC)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1OC ZINC000587927882 EG Annotated Bother COc1ccc(C[C@@H](C)c2nc3nc(Cl)c[nH]c-3n2)cc1OC ZINC000587927952 EG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3nc(Cl)c[nH]c-3n2)cc1OC ZINC000587927953 EG Annotated Anodyne COc1cc(C2(c3nc4c(S)nc(S)nc4[nH]3)CC2)ccc1C ZINC000587928027 EG Annotated Anodyne COC(=O)c1cc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2cn1 ZINC000587928047 EG Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587928129 EG Annotated Bother CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587928131 EG Annotated Bother COc1ccc(-c2ccc(-c3nc4ncc[nH]c-4n3)c(O)c2)cc1OC ZINC000587928161 EG Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1OC ZINC000587928176 EG Annotated Mild COC(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2n1 ZINC000587928183 EG Annotated Anodyne COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1OC ZINC000587928202 EG Annotated Anodyne COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1OC ZINC000587928241 EG Annotated Bother COc1ccc(CCCc2nc3ccc(OC)nc3[nH]2)c(OC)c1 ZINC000587928324 EG Annotated Anodyne COc1ccc(CCCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c(OC)c1 ZINC000587928556 EG Annotated Bother COc1cc(OC)c2nc(C(=O)Cc3ccccc3OC)[nH]c2c1 ZINC000587928696 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2ncc(Br)cc2[nH]1 ZINC000587928708 EG Annotated Anodyne COc1ccc(-c2ccc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2)cc1OC ZINC000587928774 EG Annotated Anodyne COc1ccc(CCCc2nc3cnc(Cl)[nH]c-3n2)c(OC)c1 ZINC000587928778 EG Annotated Anodyne COc1ccc(CCCc2nc3cncc(OC)c3[nH]2)c(OC)c1 ZINC000587928834 EG Annotated Anodyne COc1ccc(CCCc2nc3c(Cl)ncnc3[nH]2)c(OC)c1 ZINC000587928883 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Br)cncc2[nH]1 ZINC000587928885 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587928965 EG Annotated Anodyne COc1ccc(CCCc2nc3cncc([N+](=O)[O-])c3[nH]2)c(OC)c1 ZINC000587929074 EG Annotated Bother COc1ccc(CCCc2nc3ccnc(OC)c3[nH]2)c(OC)c1 ZINC000587929109 EG Annotated Anodyne COc1ccc(CCCc2nc3cc(OC)ncc3[nH]2)c(OC)c1 ZINC000587929209 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Br)nccc2[nH]1 ZINC000587929386 EG Annotated Anodyne COc1ccc(CCCc2nc3nc(Cl)c[nH]c-3n2)c(OC)c1 ZINC000587929506 EG Annotated Anodyne COc1ccc(CCCc2nc3cc(C#N)c(C#N)cc3[nH]2)c(OC)c1 ZINC000587929589 EG Annotated Mild COc1cccc([C@H](C)Cc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587929712 EG Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587929715 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2cnc(C(F)(F)F)cc2[nH]1 ZINC000587929783 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1 ZINC000587929800 EG Annotated Bother COC(=O)c1ccnc2[nH]c([C@H]3C[C@]3(C)c3ccccc3OC)nc12 ZINC000587929823 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc12 ZINC000587929824 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc12 ZINC000587929825 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc12 ZINC000587929826 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2cnc(Br)cc2[nH]1 ZINC000587929829 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2nccc(Br)c2[nH]1 ZINC000587930283 EG Annotated Anodyne COc1cccc(Cc2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587930435 EG Annotated Anodyne COc1cccc(C2(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CCCC2)c1 ZINC000587930675 EG Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)c1 ZINC000587931293 EG Annotated Anodyne COc1cccc(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587931433 EG Annotated Bother COc1cc(O)cc(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)c1 ZINC000587931450 EG Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cnnc(O)c4[nH]3)c2)c1 ZINC000587931466 EG Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587931508 EG Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587931510 EG Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587931512 EG Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587931513 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2ncc(C(F)(F)F)cc2[nH]1 ZINC000587931675 EG Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cn1 ZINC000587931707 EG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cn1 ZINC000587931709 EG Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cn1 ZINC000587931711 EG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cn1 ZINC000587931712 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2nc(Br)ccc2[nH]1 ZINC000587931881 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2n1 ZINC000587932241 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2n1 ZINC000587932243 EG Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2n1 ZINC000587932244 EG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2n1 ZINC000587932245 EG Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 ZINC000587932263 EG Annotated Bother COC(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2n1 ZINC000587932317 EG Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2n1 ZINC000587932319 EG Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587932338 EG Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587932339 EG Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587932340 EG Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587932341 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@@H](C)c3cccc(OC)c3)nc12 ZINC000587932351 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](C)c3cccc(OC)c3)nc12 ZINC000587932353 EG Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587932379 EG Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587932391 EG Annotated Anodyne COc1cccc([C@H](C)Cc2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587932901 EG Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587932910 EG Annotated Anodyne COc1cccc(C2(c3nc4c(O)nc(S)nc4[nH]3)CCCC2)c1 ZINC000587933172 EG Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587933534 EG Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cnnc(O)c4[nH]3)c2)c1 ZINC000587933660 EG Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)c1 ZINC000587933917 EG Annotated Anodyne Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934078 EG Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587934293 EG Annotated Anodyne COC(=O)c1cc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2cn1 ZINC000587934296 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587934299 EG Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587934301 EG Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587934302 EG Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587934707 EG Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3c(O)ncnc3[nH]2)cc1 ZINC000587934739 EG Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(O)ncnc3[nH]2)cc1 ZINC000587934740 EG Annotated Anodyne COc1ccc(C2(c3nc4c(N)ncnc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934894 EG Annotated Anodyne COc1ccc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934974 EG Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587935159 EG Annotated Bother COC(=O)c1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2n1 ZINC000587935208 EG Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cccc(C(N)=O)c2[nH]1 ZINC000587935297 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(CC3=CCCc4cc(OC)ccc43)nc12 ZINC000587935357 EG Annotated Anodyne Cc1c(C)c(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587935497 EG Annotated Bother CCOc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587935508 EG Annotated Bother COc1ccc(C2(c3nc4cnnc(O)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935512 EG Annotated Anodyne Nc1c(Br)cccc1-n1c(O)cc(-c2ccco2)c1O ZINC000587935624 EG Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4c(O)nc(O)nc4[nH]3)ccc2c1 ZINC000587935733 EG Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)ccc2O)cn1 ZINC000587935734 EG Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1cccc(Br)c1N ZINC000587936214 EG Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c12 ZINC000587936358 EG Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c12 ZINC000587936360 EG Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c12 ZINC000587936361 EG Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c12 ZINC000587936362 EG Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587936363 EG Annotated Bother COc1ccc([C@H](O)[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587936366 EG Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587936367 EG Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587936370 EG Annotated Bother COc1cc(C#N)c(OC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587936421 EG Annotated Mild COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000587936713 EG Annotated Mild COc1ccc([C@H](O)[C@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000587936718 EG Annotated Mild COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000587936720 EG Annotated Mild COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000587936721 EG Annotated Mild COc1cc(C)c(OC)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587936774 EG Annotated Bother Nc1cccc(Br)c1-n1c(O)cc(-c2ccco2)c1O ZINC000587936792 EG Annotated Anodyne COc1ccc(C2(c3nc4c(O)ncnc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936827 EG Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587936842 EG Annotated Anodyne COc1c(C)cc(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587936941 EG Annotated Bother COc1cc(C(C)=O)c(OC)n1-c1c(N)cccc1Br ZINC000587937063 EG Annotated Anodyne COC(=O)c1cc(-n2c(O)ccc2O)c(Cl)cc1Br ZINC000587937423 EG Annotated Anodyne COc1ccc(OC)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937458 EG Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587937545 EG Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587937546 EG Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587937547 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587937548 EG Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000587937563 EG Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000587937564 EG Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000587937565 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000587937566 EG Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000587937570 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000587937571 EG Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000587937572 EG Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000587937573 EG Annotated Anodyne COc1cc(C)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937638 EG Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587937824 EG Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587937832 EG Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587937833 EG Annotated Bother COc1ccc([C@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587937834 EG Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000587938314 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000587938315 EG Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000587938316 EG Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000587938317 EG Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cnnc(O)c3[nH]2)cc1 ZINC000587938371 EG Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cnnc(O)c3[nH]2)cc1 ZINC000587938372 EG Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(N)ncnc3[nH]2)cc1 ZINC000587938388 EG Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(N)ncnc3[nH]2)cc1 ZINC000587938389 EG Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587938475 EG Annotated Bother COc1ccc([C@H](O)[C@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587938476 EG Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587938477 EG Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587938478 EG Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000587938482 EG Annotated Mild COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000587938491 EG Annotated Mild COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000587938493 EG Annotated Mild COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000587938494 EG Annotated Mild COc1ccc([C@H](O)[C@@H](C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000587938527 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000587938529 EG Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000587938531 EG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000587938532 EG Annotated Anodyne COc1ccc(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587938846 EG Annotated Anodyne COc1ccc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587938849 EG Annotated Anodyne Oc1ccc(OCCc2ccccc2)n1-c1ccnc(CCl)n1 ZINC000587938996 EG Annotated Reactive COc1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 ZINC000587939095 EG Annotated Reactive Cc1cc2c(n1-c1c[nH]cc(Br)c1=O)CC(C)(C)CC2=O ZINC000587939139 EG Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587939145 EG Annotated Reactive Cc1cc(OC(C)(C)C)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587939161 EG Annotated Anodyne CCc1ccc(CC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939162 EG Annotated Anodyne CCOc1ccc(OCC)n1-c1cnc(C)c(Br)n1 ZINC000587939165 EG Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1ccnc(Br)c1 ZINC000587939271 EG Annotated Anodyne COc1cc(C)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587939338 EG Annotated Anodyne CCOC(=O)c1cc(C)n(-c2cnc(C)c(Br)n2)c1C ZINC000587939416 EG Annotated Anodyne Cc1ncc(-n2c(O)cc(-c3ccco3)c2O)nc1Br ZINC000587939519 EG Annotated Anodyne COc1cccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)c1 ZINC000587939528 EG Annotated Reactive CCOc1cc(-n2c(O)cc(C)c2OC)c(Cl)cc1C(=O)O ZINC000587939597 EG Annotated Anodyne Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587939677 EG Annotated Anodyne Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587939682 EG Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1ccnc(CCl)n1 ZINC000587939837 EG Annotated Reactive COc1ccc(OC)n1-c1cc2cnccc2c(Br)n1 ZINC000587939980 EG Annotated Anodyne Cc1c(C)c(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587939989 EG Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)cc1 ZINC000587940276 EG Annotated Anodyne Cc1ncc(-n2c(O)cc(-c3ccccc3)c2O)nc1Br ZINC000587940366 EG Annotated Anodyne COc1c(C)cc(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587940678 EG Annotated Anodyne COc1ccc(O)n1-c1cc(Br)cnc1Br ZINC000587940761 EG Annotated Anodyne Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587940874 EG Annotated Anodyne CCOc1cc(-n2c(OC)cc(C)c2O)c(Cl)cc1C(=O)O ZINC000587941132 EG Annotated Anodyne O=C(O)c1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587941199 EG Annotated Anodyne COc1cc(C)c(OC)n1NCc1ccccc1Br ZINC000587941703 EG Annotated Anodyne CCOc1cc(-n2c(O)c(C)c(C)c2O)c(Cl)cc1C(=O)O ZINC000587941723 EG Annotated Anodyne CCOc1cc(-n2c(O)ccc2OCC)c(Cl)cc1C(=O)O ZINC000587942079 EG Annotated Anodyne CCOc1ccc(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942210 EG Annotated Anodyne COc1ccc(OC(C)(C)C)n1-c1c[nH]cc(Br)c1=O ZINC000587942388 EG Annotated Anodyne Cc1ncc(-n2c(O)ccc2OC(C)(C)C)nc1Br ZINC000587942451 EG Annotated Anodyne O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccccc2)c1O ZINC000587942482 EG Annotated Anodyne O=C(O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587942764 EG Annotated Anodyne Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943560 EG Annotated Bother COc1ccc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943595 EG Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1O ZINC000587943679 EG Annotated Bother COc1cc(C#N)c(OC)n1-c1cc(F)c(Br)cc1F ZINC000587943917 EG Annotated Mild CCOc1ccc(OCC)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944411 EG Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944520 EG Annotated Anodyne COc1cc(C)c(OC)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944682 EG Annotated Anodyne Oc1cc(-c2ccco2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944700 EG Annotated Anodyne CC(C)(C)Oc1ccc(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944889 EG Annotated Anodyne COc1ccc(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945020 EG Annotated Anodyne Oc1cc(-c2ccco2)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945355 EG Annotated Anodyne COc1cc(C#N)c(OC)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587945367 EG Annotated Mild CCOC(=O)c1cc(C)n(-c2n[nH]c(-c3ccccc3F)n2)c1C ZINC000587945555 EG Annotated Anodyne Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587945675 EG Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(C)c2O)n1 ZINC000587945723 EG Annotated Anodyne O=C(O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587945771 EG Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc4nc(O)[nH]c4cc3[nH]1)CC2 ZINC000587946002 EG Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc4nc(O)[nH]c4cc3[nH]1)CC2 ZINC000587946003 EG Annotated Anodyne COc1cc(C)c(OC)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587946107 EG Annotated Anodyne COc1cc(C)c(OC)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587946117 EG Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2O)n1 ZINC000587946221 EG Annotated Anodyne Oc1cc(-c2ccccc2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946255 EG Annotated Anodyne COc1ccc(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587946687 EG Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(S)nc(S)nc3[nH]1)CC2 ZINC000587946961 EG Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(S)nc(S)nc3[nH]1)CC2 ZINC000587946962 EG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2cn1 ZINC000587947085 EG Annotated Anodyne COC(=O)c1cc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2cn1 ZINC000587947086 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3CCc4ccc(OC)cc4C3)nc12 ZINC000587947102 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3CCc4ccc(OC)cc4C3)nc12 ZINC000587947103 EG Annotated Anodyne COc1cc(C)c(OC)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587947113 EG Annotated Anodyne N=c1nc(O)c2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2[nH]1 ZINC000587949190 EG Annotated Anodyne N=c1nc(O)c2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2[nH]1 ZINC000587949191 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C)nc4[nH]1)(C3)C2 ZINC000587949751 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4nc(Cl)c[nH]c-4n1)(C3)C2 ZINC000587949767 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)ccnc4[nH]1)(C3)C2 ZINC000587949775 EG Annotated Anodyne COc1nccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c12 ZINC000587949776 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)cnc4[nH]1)(C3)C2 ZINC000587949789 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)nccc4[nH]1)(C3)C2 ZINC000587949825 EG Annotated Anodyne COc1cncc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c12 ZINC000587949949 EG Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587949964 EG Annotated Bother CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cncc(C)c4[nH]1)(C3)C2 ZINC000587949982 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)cnc4[nH]1)(C3)C2 ZINC000587950350 EG Annotated Anodyne Sc1nc(S)c2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2n1 ZINC000587950387 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(CO)cc4[nH]1)(C3)C2 ZINC000587950416 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(O)c4[nH]1)(C3)C2 ZINC000587950428 EG Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000587950658 EG Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000587950666 EG Annotated Anodyne COC(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 ZINC000587950711 EG Annotated Anodyne COC(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 ZINC000587950712 EG Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 ZINC000587950791 EG Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 ZINC000587950792 EG Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 ZINC000587950793 EG Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 ZINC000587950794 EG Annotated Anodyne COC(=O)c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cn1 ZINC000587950957 EG Annotated Anodyne O=[N+]([O-])c1cncc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587951058 EG Annotated Bother COc1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2n1 ZINC000587951140 EG Annotated Anodyne Oc1nc(O)c2nc(Cc3ccccc3Oc3ccccc3)[nH]c2n1 ZINC000587951157 EG Annotated Anodyne COc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cn1 ZINC000587951433 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(O)cc4[nH]1)(C3)C2 ZINC000587951451 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cnc(Cl)[nH]c-4n1)(C3)C2 ZINC000587951463 EG Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000587951624 EG Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000587951625 EG Annotated Anodyne COC(=O)c1ccnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 ZINC000587951661 EG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Cl)ncnc4[nH]1)(C3)C2 ZINC000587951704 EG Annotated Anodyne COC(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2n1 ZINC000587951740 EG Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000587952014 EG Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000587952020 EG Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587952043 EG Annotated Mild CO[C@H](C)COC1CCC(c2nc3ccc(CCO)cc3[nH]2)CC1 ZINC000587952371 EG Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(CCO)cc3[nH]2)CC1 ZINC000587952372 EG Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 ZINC000587952395 EG Annotated Mild CO[C@H](C)COC1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 ZINC000587952396 EG Annotated Mild CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587952909 EG Annotated Reactive CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587952910 EG Annotated Reactive CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587952911 EG Annotated Reactive CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587952912 EG Annotated Reactive CO[C@@H](C)COC1CCC(c2nc3ccc(C(=O)O)cc3[nH]2)CC1 ZINC000587952983 EG Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(C(=O)O)cc3[nH]2)CC1 ZINC000587952984 EG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(C#Cc3ccccc3)nc-2[nH]1 ZINC000587953966 EG Annotated Mild C=CCC(C)(C)c1nc2ccc(S(=O)(=O)NCCCC)cc2[nH]1 ZINC000587954182 EG Annotated Mild C=CCC(C)(C)c1nc2cc(I)cnc2[nH]1 ZINC000587954460 EG Annotated Mild C=CCC(C)(C)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587954468 EG Annotated Mild CC(C)(CC(=O)O)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587954762 EG Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587954932 EG Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587955209 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c(CC(C)(C)CC(=O)O)nc12 ZINC000587955245 EG Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587955466 EG Annotated Mild Oc1nc(O)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587955518 EG Annotated Anodyne Oc1nc(O)c2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587955519 EG Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587955544 EG Annotated Mild CC(C)(CC(=O)O)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587955848 EG Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587955852 EG Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(C(=O)OC)nc3[nH]2)cc1 ZINC000587956433 EG Annotated Anodyne CC#CCCCCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587956942 EG Annotated Mild CCc1ccc(C(=O)CCc2nc3cc(C(=O)OC)ncc3[nH]2)cc1 ZINC000587956970 EG Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(C(=O)OC)ccnc3[nH]2)cc1 ZINC000587957124 EG Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587957182 EG Annotated Anodyne CC#CCCCCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587957266 EG Annotated Mild CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587957443 EG Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587958627 EG Annotated Anodyne Cc1ccc(C)c(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587958735 EG Annotated Anodyne Cc1ccc(C)c(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 ZINC000587958802 EG Annotated Anodyne CC[C@@]1(Cc2nc3cc(N)c(N)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959042 EG Annotated Anodyne CC[C@]1(Cc2nc3cc(N)c(N)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959045 EG Annotated Anodyne O=S(=O)(O)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 ZINC000587959122 EG Annotated Anodyne N#Cc1nc2nc(Cc3ccccc3-c3ccccc3)[nH]c2nc1C#N ZINC000587959292 EG Annotated Mild Clc1ncc(I)c2nc(CC3CC3)[nH]c12 ZINC000587959481 EG Annotated Anodyne Cc1nc2[nH]c(CC[C@@H](C)CC(=O)O)nc2cc1Br ZINC000587959801 EG Annotated Anodyne Brc1cnc(Br)c2[nH]c(CC3CC3)nc12 ZINC000587959842 EG Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3c(O)nc(=N)[nH]c3[nH]2)cc1 ZINC000587959889 EG Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587959959 EG Annotated Anodyne C[C@H](CCc1nc2c(Br)cnc(Cl)c2[nH]1)CC(=O)O ZINC000587959979 EG Annotated Anodyne C[C@H](CCc1nc2c(Cl)c(Br)cnc2[nH]1)CC(=O)O ZINC000587960277 EG Annotated Anodyne Brc1c[nH]c2nc(C[C@@H]3C[C@H]3c3ccccc3)nc-2n1 ZINC000587960382 EG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CC3CCCCCC3)[nH]c12 ZINC000587960401 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@H](C)CCC(=O)O)nc12 ZINC000587960440 EG Annotated Anodyne Cc1nc2[nH]c(C[C@H](C)CCC(=O)O)nc2cc1Br ZINC000587960447 EG Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587960461 EG Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587960497 EG Annotated Anodyne C[C@H](CCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)CC(=O)O ZINC000587960705 EG Annotated Mild C[C@H](CCC(=O)O)Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961024 EG Annotated Mild C[C@H](CCC(=O)O)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587961368 EG Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587961374 EG Annotated Anodyne C[C@H](CCc1nc2ccc(Br)c(O)c2[nH]1)CC(=O)O ZINC000587961516 EG Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1 ZINC000587961595 EG Annotated Mild O=C(O)Cc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587961665 EG Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587961674 EG Annotated Anodyne Cc1c(Br)cnc2[nH]c(CC[C@@H](C)CC(=O)O)nc12 ZINC000587961686 EG Annotated Anodyne CC[C@@]1(Cc2nc3ccc(C(N)=O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961693 EG Annotated Anodyne CC[C@]1(Cc2nc3ccc(C(N)=O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961694 EG Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587961843 EG Annotated Mild C[C@H](CCc1nc2cc(C#N)cc(Br)c2[nH]1)CC(=O)O ZINC000587961846 EG Annotated Mild C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961944 EG Annotated Mild C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961946 EG Annotated Mild C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961948 EG Annotated Mild C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961950 EG Annotated Mild O=C(O)Cc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587962022 EG Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000587962069 EG Annotated Bother C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587962376 EG Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587962378 EG Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587962379 EG Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587962381 EG Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587962754 EG Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587962784 EG Annotated Anodyne C[C@H](CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)CC(=O)O ZINC000587962918 EG Annotated Anodyne C[C@H](CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)CC(=O)O ZINC000587963133 EG Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587963573 EG Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587963782 EG Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587963783 EG Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587963784 EG Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587963785 EG Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587965072 EG Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587965075 EG Annotated Mild O=C(O)/C=C/C=C\c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587965398 EG Annotated Anodyne O=C(O)/C=C/C=C/c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587965399 EG Annotated Anodyne O=C(O)/C=C/C=C\c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000587965662 EG Annotated Anodyne O=C(O)/C=C/C=C/c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000587965663 EG Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000587965914 EG Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000587965924 EG Annotated Mild NS(=O)(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 ZINC000587966017 EG Annotated Anodyne Ic1cnc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 ZINC000587966435 EG Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587966562 EG Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587966565 EG Annotated Mild NS(=O)(=O)c1cccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 ZINC000587966665 EG Annotated Anodyne CC/C(=C\c1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(C)cc1 ZINC000587967650 EG Annotated Anodyne CC/C(=C/c1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(C)cc1 ZINC000587967651 EG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)nc-2[nH]1 ZINC000587967721 EG Annotated Anodyne O=C(O)/C=C/C=C\c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587967848 EG Annotated Anodyne O=C(O)/C=C/C=C/c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587967870 EG Annotated Anodyne C(=C1C2CC3CC(C2)CC1C3)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587967973 EG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 ZINC000587968222 EG Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cncc(Br)c4[nH]1)(C3)C2 ZINC000587968353 EG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 ZINC000587968449 EG Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587968625 EG Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587968628 EG Annotated Mild N#Cc1nc(Cl)cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 ZINC000587968795 EG Annotated Mild O=C(O)/C=C/C=C\c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587969356 EG Annotated Anodyne O=C(O)/C=C/C=C/c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587969359 EG Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)cnc4[nH]1)(C3)C2 ZINC000587969362 EG Annotated Anodyne O=C(O)c1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1F ZINC000587969593 EG Annotated Anodyne CCOC(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 ZINC000587969596 EG Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 ZINC000587969598 EG Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc([N+](=O)[O-])c(F)cc4[nH]1)(C3)C2 ZINC000587969629 EG Annotated Bother O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccnc(Br)c4[nH]1)(C3)C2 ZINC000587969662 EG Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc5c(cc4[nH]1)OCCCO5)(C3)C2 ZINC000587969697 EG Annotated Anodyne Cc1cc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2cc1[N+](=O)[O-] ZINC000587969729 EG Annotated Bother O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)ncc4[nH]1)(C3)C2 ZINC000587969988 EG Annotated Anodyne COc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1OC ZINC000587970028 EG Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)nc4[nH]1)(C3)C2 ZINC000587970105 EG Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Br)ccnc4[nH]1)(C3)C2 ZINC000587970121 EG Annotated Anodyne O=C1CCc2cc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3cc2N1 ZINC000587970152 EG Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3c(Cl)ncnc3[nH]2)CC1 ZINC000587970556 EG Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3nc(Cl)c[nH]c-3n2)CC1 ZINC000587970950 EG Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cnc(Cl)[nH]c-3n2)CC1 ZINC000587971154 EG Annotated Anodyne O=C(O)[C@H]1C(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]1C(=O)O ZINC000587971309 EG Annotated Bother O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587971310 EG Annotated Bother O=C(O)[C@H]1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]1C(=O)O ZINC000587971311 EG Annotated Bother CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@H]2/C=C(\C)CCC=C(C)C)C1 ZINC000059064511 EG Annotated Mild CC(C)=CCC(=O)[C@]1(O)C=C(C(=O)C(C)C)C(=O)[C@H]1CC=C(C)C ZINC000059064675 EG Annotated Mild in-vitro CC(C)=CCC(=O)[C@]1(O)C=C(C(=O)C(C)C)C(=O)[C@@H]1CC=C(C)C ZINC000059064679 EG Annotated Mild in-vitro O=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccc(Cl)cc1 ZINC000059085507 EG Annotated Anodyne CC1(C)C=Cc2c(c(O)cc3c(=O)c4c(O)cc(O)cc4oc23)O1 ZINC000059086159 EG Annotated Bother N#Cc1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 ZINC000059113584 EG Annotated Mild O=C1OC(=O)c2c1cc1ccc(O)c3oc4cc(O)c(O)cc4c2c13 ZINC000059149142 EG Annotated Reactive in-vitro biogenic Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CC1 ZINC000059261986 EG Annotated Anodyne Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CC1 ZINC000059261988 EG Annotated Anodyne Cc1cc(NC(=O)C2CC2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 ZINC000059261998 EG Annotated Anodyne Cc1cc(NC(=O)C2CC2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 ZINC000059262000 EG Annotated Anodyne CN1CCC[C@@]2(CCN(Cc3cnc(-c4ccccc4)s3)C2)C1=O ZINC000059387695 EG Annotated Anodyne CN1CCC[C@]2(CCN(Cc3cnc(-c4ccccc4)s3)C2)C1=O ZINC000059387697 EG Annotated Anodyne O=C(NCc1ccco1)c1ccc(C[S@@](=O)c2ccccc2)o1 ZINC000059524101 EG Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2 ZINC000059587003 EG Annotated Anodyne in-vitro biogenic C/C1=C/C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC[C@@](C)(O)[C@@H](O)CC1 ZINC000059588067 EG Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(C=COC1)O2 ZINC000059588656 EG Annotated Anodyne in-vitro biogenic C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@H]2C[C@H]1O ZINC000059589071 EG Annotated Mild in-vitro biogenic O=C1CN2COC[C@@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000059676610 EG Annotated Anodyne O=C1CN2COC[C@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000059676612 EG Annotated Anodyne COc1ccc2c(c1)O[C@H](OC)[C@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000059729470 EG Annotated Anodyne COc1ccc2c(c1)O[C@@H](OC)[C@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000059729473 EG Annotated Anodyne C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12 ZINC000059779326 EG Annotated Mild c1cncc([C@@H](c2nnnn2C2CCCCC2)N2CCCCC2)c1 ZINC000059846597 EG Annotated Anodyne c1cncc([C@H](c2nnnn2C2CCCCC2)N2CCCCC2)c1 ZINC000059846598 EG Annotated Anodyne O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000059846723 EG Annotated Clean O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000059846725 EG Annotated Clean CN(Cc1ccccn1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000059897139 EG Annotated Anodyne O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000059932870 EG Annotated Clean O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000059932874 EG Annotated Clean CCOC(=O)N1CCC2(CC1)C[C@@](C(C)=O)(c1ccccc1)[C@H](C)O2 ZINC000006001636 EG Annotated Anodyne CCOC(=O)N1CCC2(CC1)C[C@@](C(C)=O)(c1ccccc1)[C@@H](C)O2 ZINC000006001639 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3C=C4OC(=O)C(CO)=C4[C@H]4O[C@@]34CC[C@H]12 ZINC000006002353 EG Annotated Anodyne Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccccc1)CS3 ZINC000006006827 EG Annotated Anodyne COc1cccc([C@@]23CCC[C@@H](C2)NC[C@@H]3Br)c1OC ZINC000006010276 EG Annotated Reactive COc1cccc([C@]23CCC[C@H](C2)NC[C@@H]3Br)c1OC ZINC000006010277 EG Annotated Reactive O=CN(CCN1CCCC1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC000006018028 EG Annotated Anodyne CCc1nnc(S)n1/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000006018836 EG Annotated Mild CN[C@@H](C)[C@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1 ZINC000006019713 EG Annotated Bother CN[C@H](C)[C@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1 ZINC000006019714 EG Annotated Bother CN[C@@H](C)[C@@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1 ZINC000006019715 EG Annotated Bother CN[C@H](C)[C@@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1 ZINC000006019716 EG Annotated Bother C=C1[C@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3 ZINC000006032272 EG Annotated Mild CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2C[C@]12CCCC=CCO2 ZINC000006040520 EG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F ZINC000006047109 EG Annotated Mild C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F ZINC000006047111 EG Annotated Mild C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F ZINC000006047113 EG Annotated Mild C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 ZINC000006048994 EG Annotated Mild C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 ZINC000006048996 EG Annotated Mild C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1 ZINC000006048997 EG Annotated Mild COc1cc2c3c(c1O)-c1c(ccc(O)c1OC)C[C@@H]3[N+](C)(C)CC2 ZINC000006068285 EG Annotated Bother C[N+]1(C)[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000006068316 EG Annotated Bother CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)c2cc(C)oc2C)c1C ZINC000006084643 EG Annotated Reactive CC(=O)c1c(C)[nH]c(C2=NN=C(NCc3ccccc3)SC2)c1C ZINC000006111889 EG Annotated Anodyne C[C@@H]1CCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000006139230 EG Annotated Anodyne C[C@H]1CN(c2ccc3nc(O)c(-c4ccccc4)nc3n2)C[C@@H](C)O1 ZINC000006139241 EG Annotated Anodyne C[C@@H]1CN(c2ccc3nc(O)c(-c4ccccc4)nc3n2)C[C@@H](C)O1 ZINC000006139245 EG Annotated Anodyne C[C@H]1CN(c2ccc3nc(O)c(-c4ccccc4)nc3n2)C[C@H](C)O1 ZINC000006139285 EG Annotated Anodyne COC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1 ZINC000006145279 EG Annotated Anodyne COC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1 ZINC000006145313 EG Annotated Anodyne C[C@H](O)Cc1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000006201009 EG Annotated Clean CN(C)c1cccc(NC2=CC(=[N+]3CCOCC3)CC(C)(C)C2)c1 ZINC000006201936 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13O[C@H]1C1=C(CO)C(=O)OC1=C[C@H]23 ZINC000006202092 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13O[C@H]1C1=C(CO)C(=O)OC1=C[C@H]23 ZINC000006202101 EG Annotated Anodyne CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)c2cccs2)c1C ZINC000006206602 EG Annotated Reactive COC(=O)c1cc(/N=N\c2sc(N)nc2C)cc(C(=O)OC)c1 ZINC000006235761 EG Annotated Clean CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4[C@H](C(=O)O)C1)[C@H]32 ZINC000006366364 EG Annotated Anodyne CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4[C@@H](C(=O)O)C1)[C@H]32 ZINC000006366365 EG Annotated Anodyne CCCN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cscc21 ZINC000006380388 EG Annotated Anodyne CCCOn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000006380741 EG Annotated Anodyne CCCOn1c(Sc2cc(C)cc(C)c2)c(C2CC2)c(=O)[nH]c1=O ZINC000006380761 EG Annotated Anodyne CCCOn1c(Sc2cc(C)cc(C)c2)c(CCC)c(=O)[nH]c1=O ZINC000006381479 EG Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(N3CCCCC3)nc21 ZINC000006385170 EG Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3nccs3)nc21 ZINC000006385178 EG Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CCN2 ZINC000006403198 EG Annotated Anodyne CCOC(=O)c1sc2cc(-c3ccc(F)cc3)oc(=O)c2c1N ZINC000006403614 EG Annotated Anodyne COc1ccc(O[C@H](C(=O)O)c2ccccc2)c2c1CCCC2=O ZINC000006404093 EG Annotated Anodyne Cc1cc(O)c(C(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)c(=O)o1 ZINC000006418420 EG Annotated Mild CCSCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000006425259 EG Annotated Anodyne CCO[C@H](CC)n1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000006425270 EG Annotated Anodyne CCO[C@@H](CC)n1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000006425279 EG Annotated Anodyne CN(C)P(=O)(Oc1occc1[C@H](O)Cc1ccccc1)N(C)C ZINC000006437200 EG Annotated Anodyne C[C@]12OC[C@H](c3ccccc3)N1C(=O)[C@H]1[C@H]2CC12SCCS2 ZINC000006442437 EG Annotated Anodyne CN1/C(=C\C=N/NC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21 ZINC000006473648 EG Annotated Reactive C[C@H]1C[C@H](C[C@]2(C)c3c(c4ccccc4oc3=O)O[C@@H]2C)OC1=O ZINC000006481491 EG Annotated Anodyne C[C@H]1C[C@@H](C[C@]2(C)c3c(c4ccccc4oc3=O)O[C@@H]2C)OC1=O ZINC000006481587 EG Annotated Anodyne COC(=O)c1nc2c3ccccc3[nH]c3cccc(c1C(=O)OC)c32 ZINC000006482017 EG Annotated Bother C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@H]1CCC(=O)N2 ZINC000006482908 EG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1CCC(=O)N2 ZINC000006482914 EG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1CCC(=O)N2 ZINC000006482919 EG Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1CCC(=O)N2 ZINC000006482927 EG Annotated Anodyne COc1nc2ccc(Cl)c([C@@H](O)c3ccccc3)c2nc1OC ZINC000006483456 EG Annotated Anodyne Cc1nn(C(=O)c2ccncc2)c2c1[C@H](c1ccccc1)SC(=N)N2 ZINC000006483972 EG Annotated Anodyne C[C@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O ZINC000006487782 EG Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000006491266 EG Annotated Anodyne in-vitro biogenic CC1=C[C@H](C[C@]2(C)c3c(c4c(C)cccc4oc3=O)O[C@@H]2C)OC1=O ZINC000006491442 EG Annotated Anodyne CC(C)c1nn2c(N)c(/C=C3\C=Nc4ccccc43)c(=O)nc2s1 ZINC000006493157 EG Annotated Anodyne C[C@@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O ZINC000006494581 EG Annotated Mild CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1cscn1 ZINC000006496865 EG Annotated Anodyne CCc1nnc(S)n1/N=C/c1c(C)nn(-c2ccccc2)c1Cl ZINC000006497102 EG Annotated Mild C[C@H](O)CCCC(=O)CCC/C=C/c1cc(O)cc(O)c1C(=O)O ZINC000060196162 EG Annotated Anodyne in-vitro CC(C)[C@H]1/C=C/[C@@](C)(O)CC[C@@H](O)[C@](C)(O)Cc2cc(co2)CC1 ZINC000060288626 EG Annotated Anodyne Cc1cc(C)n(/N=C/c2cc3ccccc3nc2Cl)c(=O)c1C#N ZINC000060686179 EG Annotated Mild Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)Nc1cccc(C#N)c1 ZINC000061895617 EG Annotated Mild Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)Nc1cccc(C#N)c1 ZINC000061895618 EG Annotated Mild O=C(NCc1ccco1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061895799 EG Annotated Anodyne O=C(NCc1ccco1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 ZINC000061895800 EG Annotated Anodyne CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000061896006 EG Annotated Anodyne CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000061896007 EG Annotated Anodyne C=CCNc1nc2cc(-c3ccccc3OC)sc2c(=O)n1C ZINC000061896072 EG Annotated Mild CCOC(=O)[C@]1(C)CCCCCN1C(=O)c1ccc(N(C)C)cc1 ZINC000061896196 EG Annotated Anodyne CCOC(=O)[C@@]1(C)CCCCCN1C(=O)c1ccc(N(C)C)cc1 ZINC000061896197 EG Annotated Anodyne CCC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc3oc(CC)nc3c2)C1 ZINC000061896287 EG Annotated Anodyne CCC(=O)N1CCC[C@](C)(C(=O)Nc2ccc3oc(CC)nc3c2)C1 ZINC000061896288 EG Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000061896336 EG Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000061896338 EG Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000061896358 EG Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000061896360 EG Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000061896747 EG Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000061896748 EG Annotated Anodyne CCC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc3scnc3c2)C1 ZINC000061897572 EG Annotated Anodyne CCC(=O)N1CCC[C@](C)(C(=O)Nc2ccc3scnc3c2)C1 ZINC000061897575 EG Annotated Anodyne COc1ccc(OC)c([C@H](O)c2nc(-c3ccccc3OC)c[nH]2)c1 ZINC000061898134 EG Annotated Anodyne COc1ccc(OC)c([C@@H](O)c2nc(-c3ccccc3OC)c[nH]2)c1 ZINC000061898137 EG Annotated Anodyne CCCC(=O)N1CCC[C@@]1(C)C(=O)NCc1c(F)ccc(C)c1F ZINC000061898316 EG Annotated Anodyne CCCC(=O)N1CCC[C@]1(C)C(=O)NCc1c(F)ccc(C)c1F ZINC000061898318 EG Annotated Anodyne COc1ccc(-c2csc([C@H](O)c3ccc(F)c(OC)c3)n2)cn1 ZINC000061898626 EG Annotated Anodyne COc1ccc(-c2csc([C@@H](O)c3ccc(F)c(OC)c3)n2)cn1 ZINC000061898629 EG Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2Cc2ccsc2)c1 ZINC000061902392 EG Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2ccsc2)c1 ZINC000061902394 EG Annotated Anodyne O=C(Nc1cccc2ccccc12)c1csc(COCCO)n1 ZINC000061902492 EG Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1CC(=O)c1ccc(OC)cc1 ZINC000061902520 EG Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCN1CC(=O)c1ccc(OC)cc1 ZINC000061902521 EG Annotated Anodyne CC(C)=C(C)c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1 ZINC000061902539 EG Annotated Anodyne COc1ccc([C@@H](O)c2ncc(-c3ccccc3OC)[nH]2)cc1F ZINC000061902740 EG Annotated Anodyne COc1ccc([C@H](O)c2ncc(-c3ccccc3OC)[nH]2)cc1F ZINC000061902741 EG Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000061902821 EG Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000061902822 EG Annotated Anodyne COCCNc1nc(NCc2ccccc2OC)c2sccc2n1 ZINC000061903270 EG Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061903376 EG Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061903377 EG Annotated Anodyne CCCC(=O)N1CCC[C@@]1(C)C(=O)NCc1ccc(SC)cc1 ZINC000061903487 EG Annotated Anodyne CCCC(=O)N1CCC[C@]1(C)C(=O)NCc1ccc(SC)cc1 ZINC000061903488 EG Annotated Anodyne CCCCNC(=O)[C@]1(C)CCN1C(=O)c1oc2ccccc2c1C ZINC000061903569 EG Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1oc2ccccc2c1C ZINC000061903570 EG Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)OCC(C)C)on1 ZINC000061903683 EG Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)OCC(C)C)on1 ZINC000061903684 EG Annotated Anodyne COc1cccc(-c2cnc([C@H](O)c3ccc(OC)c(F)c3)[nH]2)c1 ZINC000061903772 EG Annotated Anodyne COc1cccc(-c2cnc([C@@H](O)c3ccc(OC)c(F)c3)[nH]2)c1 ZINC000061903773 EG Annotated Anodyne CC(C)CNC(=O)[C@]1(C)CCCCCN1C(=O)c1cc(C#N)cs1 ZINC000061904102 EG Annotated Mild CC(C)CNC(=O)[C@@]1(C)CCCCCN1C(=O)c1cc(C#N)cs1 ZINC000061904103 EG Annotated Mild CC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc3nc(C)ccc3c2)C1 ZINC000061904124 EG Annotated Anodyne CC(=O)N1CCC[C@](C)(C(=O)Nc2ccc3nc(C)ccc3c2)C1 ZINC000061904125 EG Annotated Anodyne C=CCOc1cccn2c(N(C)C(=O)c3ccncc3)c(CC)nc12 ZINC000061904157 EG Annotated Mild CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cnn(C)c2)cs1 ZINC000061904418 EG Annotated Anodyne CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cnn(C)c2)cs1 ZINC000061904419 EG Annotated Anodyne Cn1cc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)cn1 ZINC000061904518 EG Annotated Anodyne Cn1cc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)cn1 ZINC000061904519 EG Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(C)c(F)c1 ZINC000061904609 EG Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(C)c(F)c1 ZINC000061904610 EG Annotated Anodyne COCCNc1nc2cc(-c3ccccc3C)sc2c(=O)n1C ZINC000061904738 EG Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000061904934 EG Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000061904935 EG Annotated Anodyne CC(C)Oc1cccc(NC(=O)[C@]2(C)CCCN2C(=O)C(C)C)c1 ZINC000061905043 EG Annotated Anodyne CC(C)Oc1cccc(NC(=O)[C@@]2(C)CCCN2C(=O)C(C)C)c1 ZINC000061905044 EG Annotated Anodyne CCOC(=O)[C@]1(C)CCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000061905297 EG Annotated Anodyne CCOC(=O)[C@@]1(C)CCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000061905298 EG Annotated Anodyne CCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000061905451 EG Annotated Anodyne CCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000061905452 EG Annotated Anodyne C[C@]1(C(=O)O)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061905469 EG Annotated Anodyne C[C@@]1(C(=O)O)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000061905470 EG Annotated Anodyne CCOC(=O)[C@]1(C)CCN1C(=O)c1cccnc1Oc1ccccc1 ZINC000061905772 EG Annotated Anodyne CCOC(=O)[C@@]1(C)CCN1C(=O)c1cccnc1Oc1ccccc1 ZINC000061905773 EG Annotated Anodyne CCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc2nc(C)ccc2c1 ZINC000061905842 EG Annotated Anodyne CCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc2nc(C)ccc2c1 ZINC000061905843 EG Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061905996 EG Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061905997 EG Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3ccc(OC)nc3)cs2)cc1 ZINC000061906878 EG Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3ccc(OC)nc3)cs2)cc1 ZINC000061906879 EG Annotated Anodyne C[C@]1(C(=O)Nc2ccccc2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061907124 EG Annotated Anodyne C[C@@]1(C(=O)Nc2ccccc2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061907125 EG Annotated Anodyne CC(C)CNC(=O)[C@]1(C)CCCN1Cc1ccccc1OC(F)F ZINC000061907324 EG Annotated Anodyne CC(C)CNC(=O)[C@@]1(C)CCCN1Cc1ccccc1OC(F)F ZINC000061907325 EG Annotated Anodyne COc1cccc([C@@](C)(O)c2nc(-c3ccc(OC)nc3)cs2)c1 ZINC000061907337 EG Annotated Anodyne COc1cccc([C@](C)(O)c2nc(-c3ccc(OC)nc3)cs2)c1 ZINC000061907338 EG Annotated Anodyne CSCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061907468 EG Annotated Anodyne CSCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061907469 EG Annotated Anodyne CC(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1 ZINC000061907495 EG Annotated Anodyne CC(C)C(=O)N1CC[C@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1 ZINC000061907496 EG Annotated Anodyne COc1ccc([C@H](O)c2nc(-c3cccc(CO)c3)cs2)cc1 ZINC000061907810 EG Annotated Anodyne COc1ccc([C@@H](O)c2nc(-c3cccc(CO)c3)cs2)cc1 ZINC000061907811 EG Annotated Anodyne CC(C)NC(=O)[C@]1(C)Cc2c(-c3ccc(N(C)C)cc3)ccnc2O1 ZINC000061907834 EG Annotated Anodyne CC(C)NC(=O)[C@@]1(C)Cc2c(-c3ccc(N(C)C)cc3)ccnc2O1 ZINC000061907835 EG Annotated Anodyne COc1ccc(-c2c[nH]c([C@H](O)c3ccc(OC)c(F)c3)n2)cc1 ZINC000061908123 EG Annotated Anodyne COc1ccc(-c2c[nH]c([C@@H](O)c3ccc(OC)c(F)c3)n2)cc1 ZINC000061908124 EG Annotated Anodyne COCCCNC(=O)c1ccc(-c2c(C)noc2C)c2ccoc12 ZINC000061908321 EG Annotated Anodyne CCCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc2sccc2c1 ZINC000061908341 EG Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc2sccc2c1 ZINC000061908342 EG Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000061908429 EG Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000061908430 EG Annotated Anodyne CC(C)C(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1 ZINC000061908904 EG Annotated Anodyne CC(C)C(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1 ZINC000061908905 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCc2onc(-c3ccccc3F)c2C1=O ZINC000061920903 EG Annotated Anodyne COc1ccccc1-c1noc2c1C(=O)N(C(=O)OC(C)(C)C)CC2 ZINC000061920908 EG Annotated Anodyne C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O ZINC000061921287 EG Annotated Anodyne C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O ZINC000061921288 EG Annotated Anodyne C[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000061923320 EG Annotated Anodyne Fc1ccc(NC(=S)N2Cc3ccccc3-n3nncc3C2)cc1 ZINC000061924048 EG Annotated Anodyne COC(=O)CCN1CC[C@H]2C[C@@H]1c1cc(N3CCCCC3)ccc12 ZINC000061924186 EG Annotated Anodyne CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCC(C)C)CC1 ZINC000061924312 EG Annotated Anodyne C=CCCN1[C@@H](Cc2ccccc2)COc2ccccc2S1(=O)=O ZINC000061924409 EG Annotated Mild CCC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000061925563 EG Annotated Anodyne CCC(=O)N1CCC[C@](C)(C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000061925564 EG Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(-c3ccc(OC)nc3)cs2)cc1 ZINC000061926061 EG Annotated Anodyne COc1ccc([C@](C)(O)c2nc(-c3ccc(OC)nc3)cs2)cc1 ZINC000061926062 EG Annotated Anodyne Cc1noc(C)c1-c1ccc(C(=O)N2CCN(C)CC2)c2occc12 ZINC000061926083 EG Annotated Anodyne CCC(=O)N1CCC[C@@](C)(C(=O)Nc2nccc3ccccc23)C1 ZINC000061926348 EG Annotated Anodyne CCC(=O)N1CCC[C@](C)(C(=O)Nc2nccc3ccccc23)C1 ZINC000061926349 EG Annotated Anodyne O=C(NCC1CC1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061926395 EG Annotated Anodyne O=C(NCC1CC1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061926396 EG Annotated Anodyne C[C@]1(C(=O)NCc2ccco2)Cc2c(-c3ccccc3)ccnc2O1 ZINC000061926498 EG Annotated Anodyne C[C@@]1(C(=O)NCc2ccco2)Cc2c(-c3ccccc3)ccnc2O1 ZINC000061926499 EG Annotated Anodyne CC(C)Nc1nc(Nc2ccc(C(N)=O)cc2)c2sccc2n1 ZINC000061926529 EG Annotated Anodyne CCOC(=O)[C@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061926598 EG Annotated Anodyne CCOC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061926599 EG Annotated Anodyne CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)c1ccc2ccccc2n1 ZINC000061926969 EG Annotated Anodyne CC(C)CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccc2ccccc2n1 ZINC000061926970 EG Annotated Anodyne CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000061927272 EG Annotated Anodyne CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000061927273 EG Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(F)c(C)c1 ZINC000061927311 EG Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(F)c(C)c1 ZINC000061927314 EG Annotated Anodyne COCCNc1nc(Nc2ccc(C#N)cc2)c2sccc2n1 ZINC000061927327 EG Annotated Mild CCCCC(=O)N(C)c1c(CC)nc2c(OCCOC)cccn12 ZINC000061927801 EG Annotated Anodyne CC(C)CNC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061928135 EG Annotated Anodyne CC(C)CNC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061928137 EG Annotated Anodyne COCCNc1nc(NCc2cccc(OC)c2)c2sccc2n1 ZINC000061928308 EG Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061928326 EG Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061928327 EG Annotated Anodyne CCCCN(C)C(=O)c1sc(=O)n(Cc2ccccc2C#N)c1C ZINC000061929385 EG Annotated Mild CCCNC(=O)[C@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061929960 EG Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061929961 EG Annotated Anodyne CC(=O)c1cccc(NC(=O)[C@@H]2Cc3c(-c4ccco4)ccnc3O2)c1 ZINC000061930088 EG Annotated Anodyne CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(-c4ccco4)ccnc3O2)c1 ZINC000061930090 EG Annotated Anodyne Cc1ccc(-c2cc(NC=O)c3ncc(-c4cnn(C)c4)n3c2)cc1 ZINC000061930153 EG Annotated Anodyne CC(C)C[C@H](N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000061930604 EG Annotated Anodyne CC(C)C[C@@H](N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000061930606 EG Annotated Anodyne CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061930676 EG Annotated Anodyne CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061930677 EG Annotated Anodyne C=CCC[C@H]1CN(CCCC)S(=O)(=O)c2c(F)cccc2O1 ZINC000061931230 EG Annotated Mild C=CCC[C@@H]1CN(CCCC)S(=O)(=O)c2c(F)cccc2O1 ZINC000061931233 EG Annotated Mild CC(C)C[C@H]1CNC(=S)N1CC1CCN(CC2CCCC2)CC1 ZINC000061936114 EG Annotated Anodyne CN1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccc(C#N)cc2)c1 ZINC000061942310 EG Annotated Mild Cc1nn(-c2ncccn2)c2c1C(=O)CC(C)(C)[C@H]2Br ZINC000061942810 EG Annotated Reactive Cc1nn(-c2ncccn2)c2c1C(=O)CC(C)(C)[C@@H]2Br ZINC000061942812 EG Annotated Reactive O=c1cc2c(c(-c3ccccc3)n1Cc1ccccc1)[C@H](CCO)NC2 ZINC000061943346 EG Annotated Anodyne O=c1cc2c(c(-c3ccccc3)n1Cc1ccccc1)[C@@H](CCO)NC2 ZINC000061943352 EG Annotated Anodyne Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3C)c(=O)c2C#N)cc1 ZINC000061944464 EG Annotated Mild CC(C)C[C@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O ZINC000061949385 EG Annotated Anodyne CC(C)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O ZINC000061949387 EG Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@H]2C#N)cc1 ZINC000061959008 EG Annotated Mild O=C1c2ccccc2[C@@H]2C[C@@H](O)[C@H](Nc3ccccc3Cl)CCN12 ZINC000061959049 EG Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCCCc2ccccc21 ZINC000061959226 EG Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCc2ccccc21 ZINC000061959228 EG Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(Br)cc1 ZINC000617964391 EG Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(Br)cc1 ZINC000617964392 EG Annotated Anodyne NC(=O)N=Nc1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12 ZINC000617978360 EG Annotated Clean CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccccc1OC(F)F ZINC000617980874 EG Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccccc1OC(F)F ZINC000617980875 EG Annotated Anodyne C/N=c1\c(NC(=O)Nc2ccc(F)cc2)c(O)oc2ccccc12 ZINC000617997454 EG Annotated Anodyne C/N=c1\c(NC(=O)c2c(F)cccc2F)c(O)oc2ccccc12 ZINC000617997482 EG Annotated Anodyne C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@]31CO1 ZINC000618001835 EG Annotated Anodyne C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@@]31CO1 ZINC000618001837 EG Annotated Anodyne C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@]31CO1 ZINC000618001838 EG Annotated Anodyne Cc1ccc(F)cc1NC(=O)NCCSSCCN(C)C ZINC000618007540 EG Annotated Reactive CN(C)CCSSCCCNC(=O)c1cc(F)cc(F)c1 ZINC000618007556 EG Annotated Reactive CN(C)CCSSCCCNC(=O)c1ccc(F)cc1F ZINC000618007636 EG Annotated Reactive CN(C)CCSSCCNC(=O)Nc1ccc(Cl)cc1O ZINC000618007780 EG Annotated Reactive Cc1ccc(F)c(NC(=O)NCCSSCCN(C)C)c1 ZINC000618007805 EG Annotated Reactive C[C@@H](O)c1ccc(NC(=O)CCSSCCN(C)C)cc1 ZINC000618007840 EG Annotated Reactive C[C@H](O)c1ccc(NC(=O)CCSSCCN(C)C)cc1 ZINC000618007848 EG Annotated Reactive Cc1ccc(NC(=O)NCCSSCCN(C)C)cc1F ZINC000618007895 EG Annotated Reactive Cc1cc(NC(=O)NCCSSCCN(C)C)ccc1F ZINC000618008128 EG Annotated Reactive CN(C)CCSSCCC(=O)Nc1ccc(Cl)cc1O ZINC000618008133 EG Annotated Reactive Cc1c(C(=O)NCCSSCCN(C)C)oc2ccccc12 ZINC000618008633 EG Annotated Reactive Cc1cccc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(O)[nH]c12 ZINC000618008634 EG Annotated Clean C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@@H](O)C[C@@H]2C ZINC000618009178 EG Annotated Mild C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@@H](O)C[C@H]2C ZINC000618009181 EG Annotated Mild C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@H](O)C[C@@H]2C ZINC000618009183 EG Annotated Mild CN(C)CCSSCCCn1cc(-c2ccc(F)cc2)nn1 ZINC000618009655 EG Annotated Reactive CN(C)CCSSCCn1cc(-c2ccc(F)cc2F)nn1 ZINC000618009826 EG Annotated Reactive CN(C)CCSSCCn1cc(-c2ccc(F)c(F)c2)nn1 ZINC000618009829 EG Annotated Reactive CN(C)CCSSCCCn1cc(-c2ccc(C#N)cc2)nn1 ZINC000618010143 EG Annotated Reactive CN(C)CCSSCCCn1cc(CC2CCCC2)nn1 ZINC000618010406 EG Annotated Reactive CN(C)CCSSCCn1cc(-c2ccc(F)cc2)nn1 ZINC000618012678 EG Annotated Reactive CCC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3ccccn3)NC2=O)CC1 ZINC000618014861 EG Annotated Anodyne CCC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccn3)NC2=O)CC1 ZINC000618014863 EG Annotated Anodyne CCC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](c3ccccn3)NC2=O)CC1 ZINC000618014864 EG Annotated Anodyne CCC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](c3ccccn3)NC2=O)CC1 ZINC000618014865 EG Annotated Anodyne CC[C@@H](C)c1cc(C(=O)NCCCSSCCN(C)C)on1 ZINC000618016693 EG Annotated Reactive CC[C@H](C)c1cc(C(=O)NCCCSSCCN(C)C)on1 ZINC000618016694 EG Annotated Reactive OC[C@H]1C[C@@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 ZINC000062133717 EG Annotated Mild OC[C@@H]1C[C@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 ZINC000062133718 EG Annotated Mild OC[C@@H]1C[C@@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 ZINC000062133720 EG Annotated Mild C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc[nH]2)CC1 ZINC000062241917 EG Annotated Mild Oc1ccccc1CN=c1[nH]cc2ncccc2c1-c1cccnc1 ZINC000621430181 EG Annotated Clean COc1c(F)ccc(CNc2ncccc2-c2ncccn2)c1O ZINC000621430197 EG Annotated Clean Cc1cc2nc(COc3cccc(Cl)c3Cl)cc(=O)n2o1 ZINC000621431186 EG Annotated Anodyne CCc1c(C)c(C#N)c2nc3ccc(NC(=O)C4CC4)cc3n2c1O ZINC000621431407 EG Annotated Mild CCc1c(C)c(C#N)c2nc3ccc(NCc4ncc[nH]4)cc3n2c1O ZINC000621431738 EG Annotated Mild O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)n1cccn1 ZINC000621431824 EG Annotated Anodyne O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)n1ccnc1 ZINC000621431846 EG Annotated Anodyne CCc1c(C)c(C#N)c2nc3ccc(Nc4ncccn4)cc3n2c1O ZINC000621431882 EG Annotated Mild CCc1c(C)c(C#N)c2nc3ccc(NCc4cnc[nH]4)cc3n2c1O ZINC000621431885 EG Annotated Mild CCCc1cc(N2CCNCC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000621432776 EG Annotated Anodyne CC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)N1C(=O)COc2ccccc21 ZINC000621442685 EG Annotated Anodyne CC[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)N1C(=O)COc2ccccc21 ZINC000621442687 EG Annotated Anodyne COC(=O)c1ccccc1/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12 ZINC000621471730 EG Annotated Bother C=CCOc1ccc([C@@H]2NC(=S)N=C(C)/C2=C(\O)OC)cc1OC ZINC000621474208 EG Annotated Mild C=CCOc1ccc([C@H]2NC(=S)N=C(C)/C2=C(\O)OC)cc1OC ZINC000621474209 EG Annotated Mild C=CCOc1cccc([C@@H]2NC(=S)N=C(C)/C2=C(\O)OCC)c1 ZINC000621475797 EG Annotated Mild C=CCOc1cccc([C@H]2NC(=S)N=C(C)/C2=C(\O)OCC)c1 ZINC000621475798 EG Annotated Mild N#Cc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 ZINC000621476373 EG Annotated Mild O=C(O)c1cccc(N2C(=O)c3cccc4cc(O)cc(c34)C2=O)c1 ZINC000621476388 EG Annotated Anodyne O=C(O)c1ccc(N2Cc3cc(Br)ccc3CC2=O)cc1 ZINC000621476572 EG Annotated Anodyne O=C(O)c1ccc(N2CCc3c(Br)cccc3C2=O)cc1 ZINC000621476574 EG Annotated Anodyne O=Cc1cccc(-n2ncc3c(OCCc4ccccc4)ncnc32)c1 ZINC000621477327 EG Annotated Anodyne CCOC(=O)c1oc2ccccc2c1N(C(=O)C1CC1)C(=O)C1CC1 ZINC000621485603 EG Annotated Anodyne O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)[C@@H]1C[C@H]1c1ccccc1 ZINC000063298120 EG Annotated Anodyne CCCCS(=O)(=O)Nc1ccc2c(c1)/C(=N/O)c1ccccc1-2 ZINC000063539215 EG Annotated Mild CCc1ncc(CN[C@@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000064131504 EG Annotated Anodyne CCc1ncc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000064131505 EG Annotated Anodyne Cc1ccc(C2=C(CCC(=O)O)[C@H](c3ccco3)NC(=S)N2)cc1 ZINC000064251820 EG Annotated Anodyne O=C(O)CCC1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccco1 ZINC000064251888 EG Annotated Anodyne CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(C)C ZINC000064361364 EG Annotated Anodyne CCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(C)C ZINC000064361365 EG Annotated Anodyne CCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)C ZINC000064361368 EG Annotated Anodyne Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccccc1[N+](=O)[O-])O2 ZINC000064373171 EG Annotated Bother Clc1ccccc1-c1nc(CN2CCC3(CC2)OCCO3)co1 ZINC000064399650 EG Annotated Anodyne CC(C)c1csc(-c2nnc(S)n2NC(=O)c2ccccc2)n1 ZINC000064446998 EG Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1Br ZINC000064447433 EG Annotated Anodyne C[C@@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1Br ZINC000064447435 EG Annotated Anodyne CC[C@H]1S/C(=N/N=C(\C)CSc2ccc(S)cc2)NC1=O ZINC000064447832 EG Annotated Mild CC[C@@H]1S/C(=N/N=C(\C)CSc2ccc(S)cc2)NC1=O ZINC000064447834 EG Annotated Mild C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1Br ZINC000064447908 EG Annotated Anodyne C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1Br ZINC000064447910 EG Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c(n(CC#N)c4ccccc34)[C@@H]21 ZINC000064448333 EG Annotated Mild CN1c2ccccc2C(=O)N2CCc3c(n(CC#N)c4ccccc34)[C@H]21 ZINC000064448335 EG Annotated Mild COc1ccc([C@@H]2c3ccccc3O[C@H]3N=C(S)NC(=N)[C@@H]32)cc1 ZINC000064448788 EG Annotated Anodyne COc1ccc([C@H]2c3ccccc3O[C@H]3N=C(S)NC(=N)[C@H]23)cc1 ZINC000064448790 EG Annotated Anodyne COc1ccc([C@@H]2c3ccccc3O[C@@H]3N=C(S)NC(=N)[C@@H]32)cc1 ZINC000064448792 EG Annotated Anodyne COc1ccc([C@H]2c3ccccc3O[C@@H]3N=C(S)NC(=N)[C@@H]32)cc1 ZINC000064448793 EG Annotated Anodyne C[C@H]1S/C(=N/N=C/CCSc2ccc(Cl)cc2)NC1=O ZINC000064448929 EG Annotated Mild C[C@@H]1S/C(=N/N=C/CCSc2ccc(Cl)cc2)NC1=O ZINC000064448930 EG Annotated Mild COc1c2c(cc3occc13)OC1(CCCCC1)C/C2=N\NC(N)=O ZINC000064453453 EG Annotated Reactive O=P(NN1CCCCC1)(NN1CCCCC1)Oc1ccccc1 ZINC000064453786 EG Annotated Anodyne Fc1ccc(-c2cc3c(ncn4nnnc34)n2-c2ccccc2)cc1 ZINC000064454075 EG Annotated Anodyne F[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000064454278 EG Annotated Anodyne [O-][n+]1nc2c(-c3cccs3)cnn2c2cc(C(F)(F)F)ccc21 ZINC000064454426 EG Annotated Anodyne [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(C(F)(F)F)ccc21 ZINC000064454428 EG Annotated Anodyne O=S1(=O)N=C(Oc2ccccc2C(F)(F)F)c2ccccc21 ZINC000064468912 EG Annotated Anodyne O=S(=O)(Cc1nnc(-c2ccccc2)s1)Nc1ccccc1 ZINC000064475139 EG Annotated Anodyne Cc1cccc(C(=O)Nc2nc(C)c(Br)s2)c1O ZINC000064499436 EG Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CN4CCCCC4)nn3)c2c1 ZINC000064503810 EG Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CNC4CCCC4)nn3)c2c1 ZINC000064504049 EG Annotated Anodyne CCc1cc(=O)oc2c3c(c(C)c(OCC(=O)O)c12)OC(C)(C)C=C3 ZINC000064510438 EG Annotated Anodyne CS(=O)(=O)Nc1ccccc1COc1cccc2scnc12 ZINC000064512641 EG Annotated Anodyne C=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1CC ZINC000064513891 EG Annotated Reactive COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1F ZINC000064513979 EG Annotated Anodyne NCc1ccccc1-c1cccc(-c2cc(=O)n(O)c3ncccc23)c1 ZINC000064526508 EG Annotated Anodyne NCc1cccc(-c2cccc(-c3cc(=O)n(O)c4ncccc34)c2)c1 ZINC000064526511 EG Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3ccccc3)CC2)nc1 ZINC000064526915 EG Annotated Anodyne c1ccc2c3c([nH]c2c1)CN[C@H](Cn1cc(-c2ccsc2)nn1)C3 ZINC000064527133 EG Annotated Anodyne CC(=O)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H](C(C)=O)CC[C@H]1C)OO2 ZINC000064527321 EG Annotated Reactive NCc1ccc(-c2cccc(-c3cc(=O)n(O)c4ncccc34)c2)cc1 ZINC000064527348 EG Annotated Anodyne O=c1ccc(CCCOCc2ccccc2)nn1Cc1ccccc1 ZINC000064527666 EG Annotated Anodyne Cc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000064527758 EG Annotated Anodyne COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccc(F)c1F ZINC000064528450 EG Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3-n3cccc32)cc1 ZINC000064532196 EG Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3-n3cccc32)cc1 ZINC000064532198 EG Annotated Anodyne CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F ZINC000064539847 EG Annotated Bother CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@@H](C)NC2=O)CC1 ZINC000064539988 EG Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@H](C)NC2=O)CC1 ZINC000064548438 EG Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccncc1)c1ccc(O)cc1 ZINC000064548496 EG Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccncc1)c1ccc(O)cc1 ZINC000064548497 EG Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)c1cccnc1 ZINC000064548529 EG Annotated Anodyne O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)c1cccnc1 ZINC000064548530 EG Annotated Anodyne N#CC1=C(N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000064548655 EG Annotated Reactive N#CC1=C(N)OC2=C(C(=O)O[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000064549325 EG Annotated Reactive N#CC1=C(N)OC2=C(C(=O)O[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000064549326 EG Annotated Reactive N#CC1=C(N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000064549346 EG Annotated Reactive CCc1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1 ZINC000064549619 EG Annotated Anodyne CC[C@@H](C)NCc1cn(-c2cc(C)nc3ccc(OC)cc23)nn1 ZINC000064552907 EG Annotated Anodyne CC[C@H](C)NCc1cn(-c2cc(C)nc3ccc(OC)cc23)nn1 ZINC000064552910 EG Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H]4C(=O)O[C@H]([C@@H]43)[C@H](O)[C@H]12 ZINC000064559125 EG Annotated Anodyne O=c1cc(CO)oc([C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1O ZINC000064560103 EG Annotated Anodyne O=c1cc(CO)oc([C@H](c2ccccc2)c2c[nH]c3ccccc23)c1O ZINC000064560105 EG Annotated Anodyne O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1nc[nH]n1 ZINC000064560184 EG Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C=C(C=O)[C@@H]2/C=C/C1=CCOC1=O ZINC000064560458 EG Annotated Reactive CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](O)OC1=O ZINC000064560792 EG Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1/C=C/C1=C[C@@H](O)OC1=O ZINC000064560794 EG Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H](O)OC1=O ZINC000064560795 EG Annotated Mild COC(=O)[C@H](c1ccccc1Br)[C@@]1(C)CCCCN1 ZINC000064585980 EG Annotated Anodyne O=C(O)CCC1=C(c2ccccc2)NC(=S)N[C@H]1c1ccco1 ZINC000064623385 EG Annotated Anodyne Nc1nc(Cc2cccc(Br)c2)n(-c2ccccc2)n1 ZINC000064691663 EG Annotated Anodyne COc1ccc(C)cc1Nc1n[n+](C)c(-c2ccc(O)cc2O)s1 ZINC000064696323 EG Annotated Anodyne O=C(c1cc(O)c(O)c(O)c1)c1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000064744442 EG Annotated Clean O=C(O)c1cc(NC/C=C/c2cccs2)ccc1N1CCOCC1 ZINC000064746678 EG Annotated Anodyne O=C(CCCS)N1CCN(Cc2cccc3ccccc23)CC1 ZINC000064746685 EG Annotated Mild Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1cccnc1 ZINC000006507659 EG Annotated Anodyne CC[C@@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 ZINC000006519421 EG Annotated Anodyne C[N+]1(CCc2ccc(NC(=O)CCCC(=O)O)cc2)CCCCC1 ZINC000006519735 EG Annotated Anodyne in-vitro CCn1c(O)c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21 ZINC000006520101 EG Annotated Anodyne Cc1c(Sc2ccccc2)n(C/C=C/c2ccco2)c(=O)[nH]c1=O ZINC000006520174 EG Annotated Anodyne Cc1[nH]c2[nH]c(=S)nc(NC(N)=S)c2c1Cc1ccccc1 ZINC000006520457 EG Annotated Anodyne Cc1c(N2CCCCC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520765 EG Annotated Anodyne Cc1cc2c(cc1C)N(C)S(=O)(=O)C1=CC=CN(C(C)C)C1=N2 ZINC000006522175 EG Annotated Anodyne Cc1cc2c(cc1Cl)S[C@H](c1ccccc1O)NS2(=O)=O ZINC000006522203 EG Annotated Clean Cc1cc2c(cc1Cl)S[C@@H](c1ccccc1O)NS2(=O)=O ZINC000006522211 EG Annotated Clean Cc1ccc([C@H](O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000006522688 EG Annotated Anodyne Cc1ccc([C@H](O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000006522690 EG Annotated Anodyne Cc1ccc([C@@H](O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000006522729 EG Annotated Anodyne Cc1ccc([C@@H](O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000006522730 EG Annotated Anodyne Cc1ccc(-c2nc(Cc3n[nH]c(-c4ccc(C)cc4)n3)n[nH]2)cc1 ZINC000006522799 EG Annotated Anodyne Cc1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1 ZINC000006522809 EG Annotated Anodyne Cc1ccc2c(=O)c(-c3nnc(NC4CCCCC4)s3)c[nH]c2n1 ZINC000006522898 EG Annotated Anodyne Nc1cc(Cl)nc(SCc2cc3c(cc2Cl)OCO3)n1 ZINC000006524187 EG Annotated Anodyne Clc1ccc2c(N3CCCCC3)cc(N3CCOCC3)nc2n1 ZINC000006536558 EG Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1sccc1C ZINC000006542658 EG Annotated Anodyne Cc1nc(N)sc1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000006545656 EG Annotated Clean CCOC(=O)/C(=N\Nc1ncnc2ccccc12)c1ccc(C)cc1 ZINC000006550417 EG Annotated Mild C/C(=N\NC(=O)c1ccccc1)c1c(C)nn(-c2ccccc2)c1O ZINC000006556341 EG Annotated Reactive Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(C(=O)O)c(O)c1 ZINC000006556366 EG Annotated Clean Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(F)c(F)c1F ZINC000006558552 EG Annotated Anodyne Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(F)c(F)c1F ZINC000006558555 EG Annotated Anodyne CCOC(=O)c1c(C)oc2c1c(/C=N/CCO)c(O)c1ccccc12 ZINC000006566838 EG Annotated Mild O=C1Nc2ccc([N+](=O)[O-])cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006567560 EG Annotated Mild O=C1Nc2ccc([N+](=O)[O-])cc2[C@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006567561 EG Annotated Mild CCCSc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)OC)c1 ZINC000006569876 EG Annotated Bother C[C@H](Sc1nc2ccccc2s1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000006576749 EG Annotated Anodyne C[C@H]1CN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@@H](C)O1 ZINC000006576750 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc([C@H](O)c2c(F)cccc2F)c1 ZINC000006581612 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc([C@H](O)c2ccc(Cl)cc2)c1 ZINC000006581616 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc([C@H](O)c2ccccc2Cl)c1 ZINC000006581621 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc([C@@H](O)c2c(F)cccc2F)c1 ZINC000006581630 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000006581634 EG Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc([C@@H](O)c2ccccc2Cl)c1 ZINC000006581639 EG Annotated Anodyne N#C[C@@H](c1nc2ccccc2s1)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000006584382 EG Annotated Mild C=CCOC(=O)C1=C[C@@H](c2ccccc2)[C@H](CCCO)[C@@H](OCC)O1 ZINC000006595413 EG Annotated Mild CCC(=O)c1ccc(O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000006638492 EG Annotated Mild CCC(=O)c1ccc(O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000006638496 EG Annotated Mild Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2 ZINC000006638762 EG Annotated Mild CS[P@@]1(=S)N=C(NCCC(C)C)C(C#N)=C2CCCN21 ZINC000006667808 EG Annotated Reactive CS[P@]1(=S)N=C(NCCC(C)C)C(C#N)=C2CCCN21 ZINC000006667809 EG Annotated Reactive CC[C@@H](C)[C@@H](N)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000006678274 EG Annotated Anodyne CC[C@H](C)[C@@H](N)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000006707395 EG Annotated Anodyne Cc1ccc(-n2nc(C)c(/C=N/n3c(C)nnc3S)c2Cl)cc1 ZINC000006713100 EG Annotated Mild Fc1cc(Oc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000006716623 EG Annotated Anodyne CCOC(=O)/C(O)=C/C(=O)/C=C/c1cccn1Cc1ccc(F)cc1 ZINC000006717800 EG Annotated Anodyne CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2cccnc2)N1 ZINC000006721322 EG Annotated Reactive CCN(CC)CCCN(C)C(=O)c1noc2c1COc1ccccc1-2 ZINC000006724449 EG Annotated Anodyne O=C([C@H]1CCCN(c2cnnc3c(Cl)cccc23)C1)N1CCCC1 ZINC000006724956 EG Annotated Anodyne O=C([C@@H]1CCCN(c2cnnc3c(Cl)cccc23)C1)N1CCCC1 ZINC000006724957 EG Annotated Anodyne CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 ZINC000006725006 EG Annotated Anodyne O=c1oc2c(F)cc(F)cc2cc1S(=O)(=O)c1ccc(F)cc1 ZINC000006736740 EG Annotated Anodyne CCCn1c(CCC(=O)N2CCc3ccccc3C2)nc2cccnc21 ZINC000006737622 EG Annotated Anodyne COCc1cc(C)nc2sc3c(c12)NCN(Cc1ccco1)C3=O ZINC000006742890 EG Annotated Anodyne Brc1ccc(Nc2c3c(nc4nncn24)CCC3)cc1 ZINC000006742959 EG Annotated Anodyne COc1ccccc1CNc1cc(-c2ccccc2)nc2nncn12 ZINC000006743020 EG Annotated Anodyne CCn1cc(NC(=O)NCc2cccs2)c(=O)c2ccc(C)nc21 ZINC000006746981 EG Annotated Anodyne CCn1cc(NC(=O)NCC2CCCCC2)c(=O)c2ccc(C)nc21 ZINC000006746986 EG Annotated Anodyne Cc1c(C(=O)NCc2cccc(F)c2)oc2c1-c1[nH]ncc1CC2 ZINC000006748398 EG Annotated Anodyne aggregator O=C(Cn1ncc2ccccc21)Nc1cc(-c2cccc(F)c2)no1 ZINC000006750210 EG Annotated Anodyne Cc1cccc2c1cnn2C(=O)CCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000006750238 EG Annotated Anodyne Cc1cccc2c1cnn2C(=O)CCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000006750239 EG Annotated Anodyne COC(=O)c1ccc(Cn2nc(-c3cc(C)ccc3C)ccc2=O)cc1 ZINC000006767150 EG Annotated Anodyne O=C(Cn1ncc2c(Cl)cccc21)N1CCc2ccccc2C1 ZINC000006768232 EG Annotated Anodyne O=C(CCC(=O)n1ncc2ccc(Cl)cc21)NCc1ccco1 ZINC000006768402 EG Annotated Anodyne Cc1ccc2c(cnn2C(=O)CCC(=O)NCCc2ccccc2)c1 ZINC000006768419 EG Annotated Anodyne Cc1nn(C(=O)CCC(=O)NCCc2ccccc2)c2ccccc12 ZINC000006768586 EG Annotated Anodyne CC1=C(C(=O)NC[C@@H](C)c2ccccc2)C2(CCCCC2)OC1=O ZINC000006772386 EG Annotated Anodyne CC1=C(C(=O)NC[C@H](C)c2ccccc2)C2(CCCCC2)OC1=O ZINC000006772387 EG Annotated Anodyne CCCSCCCNC(=O)C1=C(C)C(=O)OC12CCCCC2 ZINC000006772442 EG Annotated Anodyne CCN(C(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@H]1[C@@H]3C2)c1c(C)cc(C)cc1C ZINC000006780067 EG Annotated Anodyne CCCN(C(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1OCC ZINC000006780071 EG Annotated Anodyne Cn1cc(/C(O)=N/c2ccccn2)c2c3ccccc3n(C)c2c1=O ZINC000006785638 EG Annotated Mild CCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1C)N(C)CCO2 ZINC000006792224 EG Annotated Anodyne CC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 ZINC000006796957 EG Annotated Anodyne CC[C@H](C)NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 ZINC000006796965 EG Annotated Anodyne Cc1ccc(C)c(NC(=O)CCC(=O)N2CCOc3ccccc32)c1 ZINC000006798428 EG Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@@H]1C ZINC000006798479 EG Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@@H]1C ZINC000006798481 EG Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@@H]1C ZINC000006798483 EG Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@@H]1C ZINC000006798485 EG Annotated Anodyne COc1ccc(C(=O)O)cc1Nc1nc2ccc(C)cc2n2cnnc12 ZINC000006802951 EG Annotated Anodyne Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)no1 ZINC000006807029 EG Annotated Anodyne CCCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000006808387 EG Annotated Anodyne O=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)Nc1ccccc1 ZINC000006808629 EG Annotated Anodyne Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCC(C)CC1 ZINC000006809111 EG Annotated Anodyne CC[C@@H](C(=O)N1C[C@@H](C)C[C@@H](C)C1)n1c(C(=O)OC)cc2occc21 ZINC000006820699 EG Annotated Anodyne CC[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)n1c(C(=O)OC)cc2occc21 ZINC000006820702 EG Annotated Anodyne O=C1C[C@@H](c2nnc(Cc3ccc(F)cc3)o2)CN1c1ccccc1 ZINC000006823014 EG Annotated Anodyne O=C1C[C@H](c2nnc(Cc3ccc(F)cc3)o2)CN1c1ccccc1 ZINC000006823015 EG Annotated Anodyne Fc1ccc(CNc2nc3ccc(Cl)cc3n3nnnc23)cc1 ZINC000006823205 EG Annotated Anodyne CCOc1ccccc1-c1nnc(CS(=O)(=O)c2ccccc2)o1 ZINC000006823549 EG Annotated Anodyne C[C@@H](CNC(=O)c1nnc(Cc2cccc(F)c2)o1)c1ccccc1 ZINC000006839980 EG Annotated Anodyne C[C@H](CNC(=O)c1nnc(Cc2cccc(F)c2)o1)c1ccccc1 ZINC000006839984 EG Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCCNC(=O)NCc1noc2ccccc12 ZINC000006859966 EG Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCCNC(=O)NCc1noc2ccccc12 ZINC000006859968 EG Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)NCc1noc2ccccc12 ZINC000006859969 EG Annotated Anodyne Cc1ccc2onc(CNC(=O)NCCN(C)C3CCCCC3)c2c1 ZINC000006866246 EG Annotated Anodyne Cc1ccnc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)c1 ZINC000006873898 EG Annotated Anodyne Cc1ccnc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)c1 ZINC000006873909 EG Annotated Anodyne CN(C(=O)CSc1nncn2c1cc1occc12)c1ccccc1 ZINC000006893954 EG Annotated Anodyne Cc1oc2ncn3nc(CCn4c(C)nc5ccccc54)nc3c2c1C ZINC000006902086 EG Annotated Anodyne Cc1cc(=O)n(Cc2ccncc2)c2c1c(C)nn2-c1cccc(F)c1 ZINC000006915559 EG Annotated Anodyne O=c1cc2nc(-c3ccccc3)nc(SCc3ccccc3)n2[nH]1 ZINC000006915674 EG Annotated Anodyne COC(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1 ZINC000006919211 EG Annotated Anodyne COC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000006919212 EG Annotated Anodyne CSCCN1C(=O)CS[C@@H]1c1ccc(Br)s1 ZINC000006928659 EG Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006929598 EG Annotated Anodyne CN(Cc1ccco1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006930343 EG Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)Nc2cn(C)c(=O)c3ccccc23)[C@@H]1C ZINC000006931834 EG Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)Nc2cn(C)c(=O)c3ccccc23)[C@@H]1C ZINC000006931849 EG Annotated Anodyne CC1=C(C(=O)N[C@@H](C)CCc2ccco2)C2(CCCCC2)OC1=O ZINC000006933627 EG Annotated Anodyne CC1=C(C(=O)N[C@H](C)CCc2ccco2)C2(CCCCC2)OC1=O ZINC000006933629 EG Annotated Anodyne O=S(=O)(NCCC1=CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000006939261 EG Annotated Anodyne O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000006939490 EG Annotated Anodyne O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000006939494 EG Annotated Anodyne CN(C)/N=C/c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000006996277 EG Annotated Mild O=c1cc(-c2ccc3c(c2)CCO3)[nH]c2c(-c3ccccc3)cnn12 ZINC000653634446 EG Annotated Anodyne Cc1ccccc1-c1nnc2ccc(-c3ccc(C(N)=O)cc3)cn12 ZINC000653663469 EG Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1cc[nH]n1 ZINC000653663472 EG Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1cc[nH]n1 ZINC000653663478 EG Annotated Anodyne CCc1noc2cc(-c3cc(=O)n4ncc(-c5ncco5)c4[nH]3)ccc12 ZINC000653664899 EG Annotated Anodyne Nc1nn2c(=O)cc(-c3ccc4occc4c3)[nH]c2c1-c1ccccn1 ZINC000653665238 EG Annotated Anodyne COc1cc(OC)c2nc(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000653665411 EG Annotated Anodyne Nc1nn2c(=O)cc(-c3cc4ccccc4o3)[nH]c2c1-c1ccccn1 ZINC000653666163 EG Annotated Anodyne Nc1nc(N2CC[C@H]3CCCC[C@H]3C2)c2c(n1)[nH]c1ccc(O)cc12 ZINC000653668938 EG Annotated Anodyne Nc1nc(N2CC[C@@H]3CCCC[C@@H]3C2)c2c(n1)[nH]c1ccc(O)cc12 ZINC000653668939 EG Annotated Anodyne Nc1nc(N2CC[C@@H]3CCCC[C@H]3C2)c2c(n1)[nH]c1ccc(O)cc12 ZINC000653668940 EG Annotated Anodyne Nc1nc(N2CC[C@H]3CCCC[C@@H]3C2)c2c(n1)[nH]c1ccc(O)cc12 ZINC000653668941 EG Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccccc3)cnn12 ZINC000653669537 EG Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2c(Cc3ccccc3)cnn12 ZINC000653671941 EG Annotated Anodyne Nc1ncc(-c2cc(N3CCC3)nc(C3CCC3)n2)cc1OC(F)F ZINC000653676827 EG Annotated Anodyne CC(=O)c1cccc(-c2cn3c(NC(=O)CC4CC4)cnc3cn2)c1 ZINC000653678255 EG Annotated Anodyne COc1nn2cc(-c3cc4c(OC)ccc(OC)c4o3)nc2s1 ZINC000653678268 EG Annotated Anodyne COCCOc1cccc2oc(-c3cn4nc(OC)sc4n3)cc12 ZINC000653682168 EG Annotated Anodyne O=c1cc(-c2cc3ccccc3o2)[nH]c2c(-c3ccccn3)cnn12 ZINC000653685695 EG Annotated Anodyne Cn1nccc1-c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O ZINC000653685700 EG Annotated Anodyne Oc1nc(CSC(=S)NCc2ccco2)nc2ccccc12 ZINC000653688562 EG Annotated Clean CN(C)CCCO/N=C1\c2ccccc2-c2nc3ccccc3nc21 ZINC000653689072 EG Annotated Mild Oc1nc(CSC(=S)NCc2ccccn2)nc2ccccc12 ZINC000653691064 EG Annotated Clean Oc1nc(CSC(=S)NCc2cccnc2)nc2ccccc12 ZINC000653691098 EG Annotated Clean O=C1Nc2ccc([N+](=O)[O-])cc2[C@]12Nc1ccccc1-n1cccc12 ZINC000653691204 EG Annotated Bother O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12Nc1ccccc1-n1cccc12 ZINC000653691205 EG Annotated Bother c1ccc(C[n+]2cn(Cn3nnc4ccccc43)c3ccccc32)cc1 ZINC000653693422 EG Annotated Anodyne Cc1cc(C)c(CNC(=O)c2cccc3c2ncn3C(C)C)c(O)n1 ZINC000653693896 EG Annotated Anodyne Cc1cc(C)c(CNC(=O)c2ccc3cnn(C(C)C)c3c2)c(O)n1 ZINC000653697078 EG Annotated Anodyne Cc1cc(C)c(CNC(=O)c2ccc3c(cnn3C(C)C)c2)c(O)n1 ZINC000653697112 EG Annotated Anodyne Oc1nc(CSC(=S)NCc2ccncc2)nc2ccccc12 ZINC000653697844 EG Annotated Clean CC1=C(Sc2ccccc2C(=O)O)SC2=NC(=O)CCCN21 ZINC000653698588 EG Annotated Anodyne CC(=O)c1cccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)c1 ZINC000653698600 EG Annotated Anodyne CC(=O)c1ccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)cc1 ZINC000653698601 EG Annotated Anodyne S=C(NCc1cccnc1)SCCc1nnc(-c2ccco2)o1 ZINC000653699189 EG Annotated Clean COc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000653699476 EG Annotated Anodyne Cn1nc(C(=O)NCCCCCCS)cc1-c1ccc(F)cc1 ZINC000653699930 EG Annotated Mild CC(=O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O ZINC000653700286 EG Annotated Clean OC1[C@H]2CC3C[C@H]1CC(NCc1cc(-c4cccs4)on1)(C3)C2 ZINC000653700546 EG Annotated Anodyne CNCCN1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1 ZINC000653700756 EG Annotated Anodyne S=C(NCc1cccnc1)SCCc1nc2ccccc2[nH]1 ZINC000653703946 EG Annotated Clean O=c1[nH]c(Oc2cnn(C3CCCCCC3)c2)nc2cnccc12 ZINC000653704234 EG Annotated Anodyne CCc1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1 ZINC000653704594 EG Annotated Mild CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cn[nH]c3)nc21 ZINC000653706044 EG Annotated Anodyne Nc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N/N=C/c1ccccc1 ZINC000653706807 EG Annotated Reactive COc1cc([N+](=O)[O-])c2[nH]c(-c3nc(C)c(C(=O)O)s3)cc2c1 ZINC000653707189 EG Annotated Bother CCCC(=O)c1cccc(N=C2NC(=N)NC3(CCCCC3)N2)c1 ZINC000653708022 EG Annotated Mild CC(C)Oc1ccc(-c2nnc(N3CCNCC3)s2)cc1Cl ZINC000653708062 EG Annotated Anodyne CC1(C)CCC[C@]2(C)c3c(O)c(O)c4c(c3C=C[C@@H]12)C(=O)O[C@@H]4CO ZINC000653708746 EG Annotated Clean Cc1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1C ZINC000653709118 EG Annotated Mild COc1cc(C(=O)c2c[nH]c3ccccc23)c(N)c(OC)c1OC ZINC000653711353 EG Annotated Anodyne CCOP(=O)(CCSC(=S)NCc1cccnc1)OCC ZINC000653711367 EG Annotated Clean CC1(C)OCc2c(Oc3n[nH]c4ccccc34)nc(-c3cn[nH]c3)nc21 ZINC000653713043 EG Annotated Anodyne CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cc[nH]n3)nc21 ZINC000653713053 EG Annotated Anodyne CC(=O)SCCCCCCNC(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000653714160 EG Annotated Anodyne COc1cc(C(=O)c2c[nH]c3cc(F)ccc23)c(N)c(OC)c1OC ZINC000653715444 EG Annotated Anodyne COc1cc(C(=O)c2c[nH]c3ccc(C)cc23)c(N)c(OC)c1OC ZINC000653715480 EG Annotated Anodyne COc1ccccc1NCc1nc2c(o1)-c1ccccc1C(=O)C2=O ZINC000653715972 EG Annotated Clean COc1ccc(NCc2nc3c(o2)-c2ccccc2C(=O)C3=O)cc1 ZINC000653715975 EG Annotated Clean COc1cccc(NCc2nc3c(o2)-c2ccccc2C(=O)C3=O)c1 ZINC000653716021 EG Annotated Clean O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccncc1 ZINC000653716264 EG Annotated Bother O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1cccnc1 ZINC000653716277 EG Annotated Bother O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccccn1 ZINC000653716301 EG Annotated Bother CC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1 ZINC000653717516 EG Annotated Anodyne Cc1cc(=O)n2c(c1C1CC1)SC[C@@H]2C(=O)Nc1ccccc1 ZINC000653718370 EG Annotated Anodyne CC1(C)NC(=N)NC(=N)N1c1cccc(/C=C/C(=O)c2ccccc2)c1 ZINC000653719519 EG Annotated Mild CC1(C)NC(=N)NC(=N)N1c1cccc(C(=O)/C=C/c2ccccc2)c1 ZINC000653721402 EG Annotated Mild CCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccccc2)c1 ZINC000653721749 EG Annotated Anodyne CCN(CCc1ccc(O)c(OC)c1)Cc1cccc(O)c1OC ZINC000653724733 EG Annotated Anodyne Nc1nc(NC2C3CC4CC(C3)CC2C4)c2nn3ccccc3c2n1 ZINC000653725565 EG Annotated Anodyne O=C1Nc2ccc(NS(=O)(=O)C3CCCCC3)cc2C12CCC2 ZINC000653726192 EG Annotated Anodyne CSN1C(=O)C[C@H]1N(OCc1ccccc1)C(=O)c1ccccc1 ZINC000653726558 EG Annotated Anodyne CSN1C(=O)C[C@@H]1N(OCc1ccccc1)C(=O)c1ccccc1 ZINC000653726564 EG Annotated Anodyne Cc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NC1CCC1 ZINC000653732489 EG Annotated Anodyne Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)c(C)s2)s1 ZINC000653732509 EG Annotated Anodyne O=C(COc1nc2sccc2c(=O)n1C1CC1)c1ccccc1 ZINC000653740698 EG Annotated Anodyne O=C(CNc1nc2sccc2c(=O)n1C1CC1)c1ccccc1 ZINC000653740732 EG Annotated Anodyne Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)cs2)s1 ZINC000653743719 EG Annotated Anodyne Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)cs2)s1 ZINC000653743793 EG Annotated Anodyne CC(=O)c1cccc(-c2cnc3ccc(-c4ccc(N)nc4)nn23)c1 ZINC000653748692 EG Annotated Anodyne Cc1ccc(-c2noc([C@@H]3CCc4c(nnn4C(C)(C)C)C3)n2)cn1 ZINC000653751493 EG Annotated Anodyne Cc1ccc(-c2noc([C@H]3CCc4c(nnn4C(C)(C)C)C3)n2)cn1 ZINC000653751494 EG Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@H](c1nc(-c3ccc(C#N)cc3)no1)C2 ZINC000653757367 EG Annotated Mild CC(C)(C)n1nnc2c1CC[C@@H](c1nc(-c3ccc(C#N)cc3)no1)C2 ZINC000653757370 EG Annotated Mild CC(C)(C)n1nnc2c1CC[C@@H](c1noc(-c3ccc(F)cc3)n1)C2 ZINC000653757371 EG Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@H](c1noc(-c3ccc(F)cc3)n1)C2 ZINC000653757373 EG Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@H](n1cnc(-c3ccc(F)cc3)n1)C2 ZINC000653761891 EG Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@@H](n1cnc(-c3ccc(F)cc3)n1)C2 ZINC000653761892 EG Annotated Anodyne C=CC(=O)n1cc(NC(=O)NCC)c2ncc(-c3cccnc3)cc21 ZINC000653761925 EG Annotated Anodyne COCOc1ccc2nc(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000653764982 EG Annotated Anodyne Cc1cc(Cl)ccc1Oc1ccc(-c2nc(N)nc(N)n2)cc1 ZINC000653766399 EG Annotated Anodyne COCOc1cccc2oc(-c3cn4nc(SC)sc4n3)nc12 ZINC000653767433 EG Annotated Anodyne COc1ccc2c(=O)n(Cc3ccc(OC)c(OC)c3)ccc2c1 ZINC000653771346 EG Annotated Anodyne COc1cc(OC)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653775788 EG Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@@H](c1nnc(-c3ccc(F)cc3)o1)C2 ZINC000653779517 EG Annotated Anodyne CC(C)(C)n1nnc2c1CC[C@H](c1nnc(-c3ccc(F)cc3)o1)C2 ZINC000653779518 EG Annotated Anodyne O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]([C@H]2CCC(=O)O2)C1 ZINC000653780772 EG Annotated Mild CC(=O)Nc1ccccc1OCc1cc(C)nc(-c2ccccn2)n1 ZINC000653783787 EG Annotated Anodyne COC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 ZINC000653785003 EG Annotated Anodyne c1cnc2[nH]c(-c3cnnn3CCCc3c[nH]c4ncccc34)cc2c1 ZINC000653785033 EG Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)cc2nc(CN3CCOCC3)sc12 ZINC000653786082 EG Annotated Bother Cc1c(C(F)(F)F)cc2nc(C3=NCCO3)sc2c1[N+](=O)[O-] ZINC000653786093 EG Annotated Bother C[C@H]1CCC/C1=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653787403 EG Annotated Mild C[C@@H]1CCC/C1=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653787406 EG Annotated Mild C=C1C(=O)C[C@]2(C[C@@H]1OC(C)=O)[C@@H](C(=O)OCC)CC[C@H]2C(C)C ZINC000653788026 EG Annotated Mild CCC(CC)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653790073 EG Annotated Mild C=CCC/C(C)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653790958 EG Annotated Mild O=C1c2ccsc2C(=O)c2c(I)cccc21 ZINC000653790966 EG Annotated Clean CC1(C)CCC[C@]2(C)c3c(O)c(O)c4c(c3CC[C@@H]12)C(=O)O[C@H]4CO ZINC000653791331 EG Annotated Clean O=C(CBr)c1ccc(C2C(=O)c3ccccc3C2=O)cc1 ZINC000653791388 EG Annotated Reactive COc1ccc(NC(=O)C(=O)c2cc(C(C)C)n3ccccc23)cn1 ZINC000653791945 EG Annotated Anodyne CCC/C(C)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653793156 EG Annotated Mild C/C(CC(C)C)=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653793272 EG Annotated Mild COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1 ZINC000653793664 EG Annotated Anodyne COc1ccc(/C(COc2cc3ccccc3oc2=O)=N/O)cc1 ZINC000653793848 EG Annotated Mild Nc1nc(C(=O)NCc2cccc3ccccc23)c2cccc(F)c2n1 ZINC000653793925 EG Annotated Anodyne CNC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 ZINC000653794377 EG Annotated Anodyne CCNC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 ZINC000653794450 EG Annotated Anodyne COc1cc2c(cc1C(=O)N(C)C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000653794455 EG Annotated Anodyne CCOC(=O)C/N=C1/N[C@H](c2ccccc2)N(c2ccccc2)S1 ZINC000653794507 EG Annotated Mild CCOC(=O)C/N=C1/N[C@@H](c2ccccc2)N(c2ccccc2)S1 ZINC000653794508 EG Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cnc4ccccc43)[C@H]12 ZINC000653795742 EG Annotated Anodyne CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cnc4ccccc43)[C@@H]12 ZINC000653795747 EG Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cnc4ccccc43)[C@@H]12 ZINC000653795748 EG Annotated Anodyne CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cnc4ccccc43)[C@H]12 ZINC000653795749 EG Annotated Anodyne O=C(NCCSCc1ccccc1)n1c(=O)oc2ccccc21 ZINC000653796389 EG Annotated Anodyne CC(=O)c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000653796393 EG Annotated Bother O=C1CS/C(=N\N=C2CCCCC2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653796404 EG Annotated Mild C[C@@H]1CC/C(=N\N=C2/SCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000653796410 EG Annotated Mild C[C@H]1CC/C(=N\N=C2/SCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000653796411 EG Annotated Mild c1cnc2[nH]cc(CCCn3nncc3-c3c[nH]c4ncccc34)c2c1 ZINC000653799456 EG Annotated Anodyne COc1cc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)ccn1 ZINC000653799638 EG Annotated Anodyne O=C(NCCCCc1ccc(F)cc1)n1c(=O)oc2ccccc21 ZINC000653802199 EG Annotated Anodyne Nc1n[nH]c2c(-c3ccccn3)cn(-c3ccccc3Cl)c(=O)c12 ZINC000653802219 EG Annotated Anodyne O=C1CN(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 ZINC000653802221 EG Annotated Anodyne CC(C)c1nc(C(=O)NC2CCN(C(C)C)CC2)c2ccccn12 ZINC000653803683 EG Annotated Anodyne CC1=C2C(=O)C3=C([C@@H](O)[C@H]2OC1=O)[C@]1(C)CCCC(C)(C)[C@H]1CC3 ZINC000653803734 EG Annotated Mild CC(=O)c1cc(-c2cccc(C)n2)c2cc(N3CCOCC3)ccn12 ZINC000653805000 EG Annotated Anodyne O=C(OC12CC3CC(CC(C3)C1)C2)c1cc(N(O)[C@H]2CCCO2)on1 ZINC000653805820 EG Annotated Anodyne O=C(OC12CC3CC(CC(C3)C1)C2)c1cc(N(O)[C@@H]2CCCO2)on1 ZINC000653805824 EG Annotated Anodyne CC(=O)c1cc(-c2ncccc2F)c2cc(N3CCOCC3)ccn12 ZINC000653808131 EG Annotated Anodyne c1cnc2[nH]c(-c3cn(CCCc4c[nH]c5ncccc45)nn3)cc2c1 ZINC000653810083 EG Annotated Anodyne CNC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1 ZINC000653817176 EG Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)n(C)c(=O)c12 ZINC000653819603 EG Annotated Anodyne COc1cccc(CNc2ncnc3ncc(-c4cnn(C)c4)cc23)c1 ZINC000653819825 EG Annotated Anodyne C1CCC(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)CC1 ZINC000653819840 EG Annotated Anodyne Cc1ccc(OC2CCN(c3nc(C)nn4ccc(C)c34)CC2)cn1 ZINC000653821097 EG Annotated Anodyne Cc1ccccc1NC(=O)CSc1nc(-c2ccc(O)cc2)n[nH]1 ZINC000653821174 EG Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)nc(O)c12 ZINC000653821642 EG Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)nc(O)c12 ZINC000653821696 EG Annotated Anodyne O[C@H]1C[C@](c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1 ZINC000653822678 EG Annotated Anodyne O[C@@H]1C[C@](c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1 ZINC000653822679 EG Annotated Anodyne Cc1c(C(=O)CSc2ccc(F)cc2)[n+](=O)c2ccccc2n1O ZINC000653822857 EG Annotated Anodyne CC(C)(C)OC(=O)CC[C@H]1N=C2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)OC1=O ZINC000653825250 EG Annotated Anodyne C[C@]1(O)C[C@](c2cc(C(F)(F)F)ccn2)([C@@H](O)c2ccccn2)C1 ZINC000653825398 EG Annotated Anodyne Cc1ccc(SCC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1 ZINC000653826073 EG Annotated Anodyne O=[N+]([O-])c1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1 ZINC000653829300 EG Annotated Bother Cc1c(C(=O)CSc2ccccc2)[n+](=O)c2ccccc2n1O ZINC000653829330 EG Annotated Anodyne CC(C)(C)OC(=O)CC[C@@H]1N=C2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)OC1=O ZINC000653831319 EG Annotated Anodyne C[C@]1(O)C[C@](c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1 ZINC000653834542 EG Annotated Anodyne C[C@]1(O)C[C@@](c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1 ZINC000653834543 EG Annotated Anodyne C[C@]1(O)C[C@@](c2ccnc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1 ZINC000653834552 EG Annotated Anodyne CCCn1c(=O)ccc2c(-c3ncc(-c4cccnc4)s3)[nH]nc21 ZINC000653837593 EG Annotated Anodyne CN(Cc1ccc(CN(C)Cc2ccccn2)nc1)Cc1ccccn1 ZINC000653837822 EG Annotated Anodyne CN(Cc1ccncc1)Cc1ccc(CN(C)Cc2ccncc2)nc1 ZINC000653837908 EG Annotated Anodyne CCn1c(=O)c(C)cc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 ZINC000653840653 EG Annotated Clean Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3O)N(C)C2=S)cc1 ZINC000653840662 EG Annotated Clean C=CCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 ZINC000653840672 EG Annotated Mild CCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccc(F)cc1 ZINC000653844222 EG Annotated Mild C[C@@H]1CC[C@]2(C)[C@@]3(CCC(=O)[C@]2(C)O)c2c(O)ccc(O)c2C[C@@]13C ZINC000653845373 EG Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@@]3(CC[C@H](O)[C@]2(C)O)c2c(O)ccc(O)c2C[C@@]13C ZINC000653845402 EG Annotated Anodyne CC(C)[C@]12O[C@H]1C[C@H]1C(=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]13C)[C@H]2O ZINC000653845474 EG Annotated Anodyne COc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1 ZINC000653846520 EG Annotated Anodyne COc1c(Nc2cc(OC(C)C)c(Cl)cc2Cl)c(=O)c1=O ZINC000653853356 EG Annotated Anodyne CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4CC4)s3)cc21 ZINC000653856846 EG Annotated Anodyne CC(C)N(CCCOc1ccc(=O)n(-c2ccccc2)n1)C(C)C ZINC000653856997 EG Annotated Anodyne CCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccn1 ZINC000653857483 EG Annotated Mild CCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccn1 ZINC000653857484 EG Annotated Mild C/C(=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1)c1cccs1 ZINC000653857487 EG Annotated Mild CCOc1ccccc1OCCn1c[n+](CCOC)c2ccccc21 ZINC000653861124 EG Annotated Anodyne Cc1ccc(C#CC2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 ZINC000653861803 EG Annotated Mild COc1cccc([C@]2(OC(C)C)SC=C(C)n3c2noc3=O)c1 ZINC000653863945 EG Annotated Anodyne COc1cccc([C@@]2(OC(C)C)SC=C(C)n3c2noc3=O)c1 ZINC000653863946 EG Annotated Anodyne CC(C)CCCCCCC(=O)N/C(=C\c1ccc(O)cc1)C(N)=O ZINC000653871738 EG Annotated Anodyne CNc1nc(C)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 ZINC000653873002 EG Annotated Reactive CNc1nc(C)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 ZINC000653873029 EG Annotated Reactive O=C(N/N=C/c1cccc(Cl)c1)c1c[nH]c2c(F)cccc2c1=O ZINC000653875560 EG Annotated Reactive C/C(=N\N=C1/SCC(=O)N1Cc1ccccc1F)c1ccccn1 ZINC000653878762 EG Annotated Mild COC(=O)[C@]12C[C@@H](O)[C@@]3(C)CC=C(CO)C=C[C@H]3[C@@H]1CC[C@@H]2C(C)C ZINC000653884740 EG Annotated Anodyne CC1=CS[C@@](OCC(F)(F)F)(c2ccccc2)c2noc(=O)n21 ZINC000653886990 EG Annotated Anodyne CC1=CS[C@](OCC(F)(F)F)(c2ccccc2)c2noc(=O)n21 ZINC000653886992 EG Annotated Anodyne CNc1cccc(CNc2cccc(CCNc3ccccn3)n2)n1 ZINC000653887508 EG Annotated Anodyne C/C(=N/N=C1\SCC(=O)N1Cc1ccc(F)cc1)c1ccccn1 ZINC000653887969 EG Annotated Mild CCO[C@@]1(c2ccccc2)Sc2ccccc2-n2c1noc2=O ZINC000653888029 EG Annotated Anodyne CCO[C@]1(c2ccccc2)Sc2ccccc2-n2c1noc2=O ZINC000653888030 EG Annotated Anodyne O=C(CC1C2CC3CC(C2)CC1C3)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000653889498 EG Annotated Reactive O=C(CCC1C2CC3CC(C2)CC1C3)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000653889508 EG Annotated Reactive CC(=O)Oc1ccc2cc(-c3ccsc3)c(=O)oc2c1OC(C)=O ZINC000653894999 EG Annotated Anodyne CC(=O)Oc1ccc2cc(-c3cccs3)c(=O)oc2c1OC(C)=O ZINC000653895025 EG Annotated Anodyne CN1CCC(/C=C2\CCn3c2nc(=O)c2c(Cl)cccc23)CC1 ZINC000653897477 EG Annotated Anodyne CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(C(=O)O)cc1 ZINC000653899396 EG Annotated Mild C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C#N)nn4C)c2N1 ZINC000653900914 EG Annotated Mild CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)c(O)c1 ZINC000653901707 EG Annotated Mild CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1cc(O)cc(O)c1 ZINC000653901784 EG Annotated Mild CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)cc1O ZINC000653901797 EG Annotated Mild COc1ccc([C@]2(OC(C)C)SC=C(C)n3c2noc3=O)cc1 ZINC000653905233 EG Annotated Anodyne COc1ccc([C@@]2(OC(C)C)SC=C(C)n3c2noc3=O)cc1 ZINC000653905235 EG Annotated Anodyne CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)c(OC)c1 ZINC000653907631 EG Annotated Mild CNc1cccc(CCNc2cccc(CNc3ccccn3)n2)n1 ZINC000653913896 EG Annotated Anodyne N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cc[nH]n2)cc1 ZINC000653914386 EG Annotated Mild O=C(N/N=C/c1ccc(Cl)cc1)c1c[nH]c2c(F)cccc2c1=O ZINC000653914423 EG Annotated Reactive C/C(=N\N=C1/SCC(=O)N1Cc1cccc(F)c1)c1ccccn1 ZINC000653915939 EG Annotated Mild O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3ccco3)c2)s1 ZINC000653916385 EG Annotated Anodyne COc1ccc2c(Cc3cc(OC)c(OC)c(OC)c3N)c[nH]c2c1 ZINC000653918456 EG Annotated Anodyne COc1cc(Cc2c[nH]c3cccc(OC)c23)c(N)c(OC)c1OC ZINC000653918469 EG Annotated Anodyne O=C1/C(=C/c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)n2cccc21 ZINC000653918533 EG Annotated Mild O=C1/C(=C/c2ccc(O)c(O)c2)[C@H](c2ccc(O)c(O)c2)n2cccc21 ZINC000653918534 EG Annotated Mild Nc1nc(Nc2ccccc2)[nH]c2nc(=O)c(-c3ccccc3)cc1-2 ZINC000653918580 EG Annotated Anodyne COc1ccc([C@@H]2C[C@H](NC(C)=O)C[C@H](Cc3ccccc3)O2)cn1 ZINC000065508966 EG Annotated Anodyne N#CC(/C(O)=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=[N+](/[O-])O ZINC000066065880 EG Annotated Mild CC1=C(OC2(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000066065908 EG Annotated Mild CCCNCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000066066234 EG Annotated Anodyne O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnn2)cc1 ZINC000066066540 EG Annotated Bother Cn1c(N2CCC[C@H](c3ccccc3)C2)cc(-c2ccncn2)cc1=O ZINC000066066671 EG Annotated Anodyne Cn1c(N2CCC[C@@H](c3ccccc3)C2)cc(-c2ccncn2)cc1=O ZINC000066066672 EG Annotated Anodyne O=C1c2ccc(C#Cc3cccc(F)c3)nc2CCN1CC1CCC1 ZINC000066074104 EG Annotated Mild CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCC2 ZINC000066074442 EG Annotated Anodyne O=C1Nc2ccccc2C(c2ccccn2)=N[C@H]1Cc1ccccc1 ZINC000066074772 EG Annotated Anodyne O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(F)cc2)c1Cl ZINC000066075110 EG Annotated Anodyne COC(=O)c1sc2cc(C#Cc3ccc(F)cc3)cnc2c1N ZINC000066077100 EG Annotated Mild CC(=O)CSc1nc(-n2nc(C)cc2C)c2c(c1C#N)CCCC2 ZINC000066077893 EG Annotated Mild O=C1c2ccccc2[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N1O ZINC000066078271 EG Annotated Anodyne O=C1c2ccccc2[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N1O ZINC000066078272 EG Annotated Anodyne CCN(CC)CC(CN(CC)CC)NCc1ccc(Cl)cc1 ZINC000066078338 EG Annotated Anodyne Cc1ccc2cc(-c3[nH]nc4ccc(NS(C)(=O)=O)cc34)[nH]c2c1 ZINC000066078632 EG Annotated Anodyne CCN1CCN(c2nc3c(c4ccccc24)[C@@H](O)c2ccccc2-3)CC1 ZINC000066078865 EG Annotated Anodyne CCN1CCN(c2nc3c(c4ccccc24)[C@H](O)c2ccccc2-3)CC1 ZINC000066078868 EG Annotated Anodyne COC(=O)c1sc2cc(C#Cc3cccc(OC)c3)cnc2c1N ZINC000066079652 EG Annotated Mild COC(=O)c1sc2cc(C#Cc3ccc(OC)cc3)cnc2c1N ZINC000066079654 EG Annotated Mild CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(NC(=N)N)ccc2NC1=O ZINC000066079934 EG Annotated Anodyne O=C(NCCCO)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl ZINC000066098384 EG Annotated Anodyne COc1cc(CCCO)cc2c(N)c(-c3ccc4c(c3)OCO4)oc12 ZINC000066098506 EG Annotated Anodyne N#Cc1c2c(c3nncn3c1SCC(=O)c1ccccc1)CCCC2 ZINC000066099099 EG Annotated Mild CNC(=O)c1cccc(Nc2nc(C(=O)O)cc3sccc23)c1 ZINC000066099349 EG Annotated Anodyne COC(=O)c1sc2cc(C#Cc3ccccc3OC)cnc2c1N ZINC000066100891 EG Annotated Mild CCCOCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000066102213 EG Annotated Anodyne COC(=O)c1sc2cc(C#Cc3ccccc3F)cnc2c1N ZINC000066102539 EG Annotated Mild C=CCn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21 ZINC000066103073 EG Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3 ZINC000066111580 EG Annotated Mild COc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000066111678 EG Annotated Bother COc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000066111679 EG Annotated Bother N[C@H](Cc1cc(F)ccc1F)C1CCN(c2ccc(F)nc2)CC1 ZINC000066112401 EG Annotated Anodyne CC(C)OCCNc1nc2cc(C(=O)O)ccc2c2cnccc12 ZINC000066112499 EG Annotated Bother N#Cc1c(S)nc(N2N=C(c3ccccc3)CC2=O)c2c1CCCC2 ZINC000066112642 EG Annotated Mild O=[N+]([O-])c1ccc(-c2cn3cccnc3[n+]2Cc2ccccc2)cc1 ZINC000066113443 EG Annotated Bother CC1=C2[C@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@]2(C)C=CC1=O ZINC000066123366 EG Annotated Mild O=C(O)c1cnn(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000066128583 EG Annotated Anodyne CC(C)CCc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1 ZINC000066128795 EG Annotated Anodyne C#CCN1C(=O)[C@@]2(CC(C)=C[C@H](C)O2)c2c(Br)cccc21 ZINC000066129669 EG Annotated Mild C#CCN1C(=O)[C@]2(CC(C)=C[C@H](C)O2)c2c(Br)cccc21 ZINC000066129671 EG Annotated Mild O=c1c(Br)csn1-c1ccc(Br)cc1 ZINC000066136329 EG Annotated Anodyne CC(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1 ZINC000066136635 EG Annotated Anodyne COC[C@H](O)[C@@H]1OCc2cc(OC)ccc2[C@H]1/C=C/c1ccccc1 ZINC000066148225 EG Annotated Anodyne C#CCN1C(=O)[C@]2(OCCC=C[C@@H]2C)c2c(Br)cccc21 ZINC000066148528 EG Annotated Mild C#CCN1C(=O)[C@@]2(OCCC=C[C@H]2C)c2c(Br)cccc21 ZINC000066148530 EG Annotated Mild C#CCN1C(=O)[C@@]2(OCCC=C[C@@H]2C)c2c(Br)cccc21 ZINC000066148535 EG Annotated Mild CC(C)(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1 ZINC000066148857 EG Annotated Anodyne N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)s3)s2)cn1 ZINC000066166510 EG Annotated Anodyne N#Cc1c(SCC(=O)c2ccccc2)nc(NN)c2c1CCCC2 ZINC000066166837 EG Annotated Mild COc1cc(Br)c(/C=[N+](\[O-])Cc2ccccc2)cc1O ZINC000066251237 EG Annotated Mild COc1cc(/C=[N+](\[O-])Cc2ccccc2)c(Br)cc1O ZINC000066251239 EG Annotated Mild CC(=O)N(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000066251278 EG Annotated Bother OCc1c(CO)c(-c2ccc(F)c(F)c2)n2c1Cc1ccccc1C2 ZINC000066251372 EG Annotated Anodyne C/C(=N\NC(=O)COc1cccc2cccnc12)c1cccs1 ZINC000066251706 EG Annotated Reactive OCc1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)c1ccccc1 ZINC000066258487 EG Annotated Anodyne OCc1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)c1ccccc1 ZINC000066258488 EG Annotated Anodyne COc1cc(N2C(=O)C[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000066258745 EG Annotated Anodyne COc1cc(N2C(=O)C[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000066258746 EG Annotated Anodyne C=CCCC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C ZINC000066259111 EG Annotated Mild CO[C@@H]1CC=C2NN(c3cc(Cl)cc(Cl)c3)C(=O)C[C@]2(C)O1 ZINC000066259158 EG Annotated Anodyne Oc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)CN1CCC[C@H]1[C@H]3O ZINC000066259296 EG Annotated Bother COC(=O)c1sc2cc(-c3cc(OC)cc(OC)c3)cnc2c1N ZINC000066259315 EG Annotated Anodyne COc1ccc(-c2c(CO)c(CO)c3n2Cc2ccccc2C3)cc1 ZINC000066260033 EG Annotated Anodyne OCc1cc(-c2ccccc2)nn1C[C@H](O)c1ccc(Cl)cc1 ZINC000066260133 EG Annotated Anodyne OCc1cc(-c2ccccc2)nn1C[C@@H](O)c1ccc(Cl)cc1 ZINC000066260134 EG Annotated Anodyne COc1cc(OC)c(CCCc2ccc(OC)c(O)c2O)cc1O ZINC000066260187 EG Annotated Clean CCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12 ZINC000066262049 EG Annotated Anodyne Cl/C(=C\c1ccccc1)CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000067514581 EG Annotated Anodyne Cl/C(=C\c1ccccc1)CN[C@H]1CCCN(c2ncccn2)C1 ZINC000067514582 EG Annotated Anodyne CCOc1ccc(CN2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)cn1 ZINC000067561240 EG Annotated Anodyne O=c1[nH]c2ccccc2cc1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000067675023 EG Annotated Anodyne O=c1[nH]c2ccccc2cc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000067675024 EG Annotated Anodyne CCCn1ccnc1CN1CCc2[nH]cnc2[C@@H]1Cc1ccccc1 ZINC000067770322 EG Annotated Anodyne CCCn1ccnc1CN1CCc2[nH]cnc2[C@H]1Cc1ccccc1 ZINC000067770324 EG Annotated Anodyne C=C1C[C@]2(C(=O)O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 ZINC000067913026 EG Annotated Reactive CNC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1 ZINC000068120392 EG Annotated Mild COc1cccc([C@@H]2NC(=S)N(C)C3=C2C(=O)c2ccccc23)c1 ZINC000068152225 EG Annotated Mild COc1cccc([C@H]2NC(=S)N(C)C3=C2C(=O)c2ccccc23)c1 ZINC000068152229 EG Annotated Mild CC(C)[C@@H]1c2[nH]cnc2CCN1C(=O)OCCOc1ccccc1 ZINC000068199832 EG Annotated Anodyne CC(C)[C@H]1c2[nH]cnc2CCN1C(=O)OCCOc1ccccc1 ZINC000068199833 EG Annotated Anodyne COc1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1 ZINC000068204446 EG Annotated Anodyne NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)cc2)CC1 ZINC000068204449 EG Annotated Anodyne COc1ccc(C[C@H]2c3cc(O)c(OC)cc3C=CN2C)cc1O ZINC000069482333 EG Annotated Anodyne in-vitro biogenic Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCc3ccco3)c2)on1 ZINC000007005381 EG Annotated Anodyne Cc1cc(-c2ccc(S(=O)(=O)N3CCCCCC3)s2)on1 ZINC000007005520 EG Annotated Anodyne C/C(=N\NC(=S)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000007010481 EG Annotated Mild OC1=Nc2ccc(F)cc2/C1=N\NC(=S)Nc1ccccc1F ZINC000007010618 EG Annotated Mild COc1cc(OC)c2c(c1)C(=O)O[C@@H]2c1cc(OC)c(OC)cc1C ZINC000007089662 EG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)O[C@H]2c1cc(OC)c(OC)cc1C ZINC000007089663 EG Annotated Anodyne COc1ccc2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1 ZINC000007155179 EG Annotated Clean N=c1sccn1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000007191711 EG Annotated Anodyne CCOC(=O)c1ccccc1NC(=O)COC(=O)CCC1CCCC1 ZINC000007483900 EG Annotated Anodyne C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@@H]12)C3 ZINC000070454064 EG Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C/[C@@H]2C[C@@H](O)CCc3cc(O)c(O)cc32)cc1O ZINC000070455199 EG Annotated Clean in-vitro biogenic COC1=C[C@@]23C[C@@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=O ZINC000070455315 EG Annotated Mild in-vitro biogenic COc1cc([N+](=O)[O-])ccc1-c1nn2c(-c3ccco3)nnc2s1 ZINC000070459650 EG Annotated Bother O=C1NCC/C(=N\Nc2ccccn2)c2c1[nH]c1ccc(Cl)cc21 ZINC000070460224 EG Annotated Mild O=C1NCC/C(=N\Nc2cccnc2)c2c1[nH]c1ccc(Cl)cc21 ZINC000070460233 EG Annotated Mild O=C1NCC/C(=N\Nc2ccncc2)c2c1[nH]c1ccc(Cl)cc21 ZINC000070460239 EG Annotated Mild CCNC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C ZINC000070463019 EG Annotated Anodyne N=C(N)SCCCCOc1oc(=O)c2ccccc2c1Cl ZINC000070463317 EG Annotated Anodyne CCc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)cc1 ZINC000070725322 EG Annotated Anodyne CCc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)cc1 ZINC000070725324 EG Annotated Anodyne COc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c1 ZINC000071281341 EG Annotated Anodyne [O-][n+]1nc2c(-c3ccc[nH]3)cnn2c2cc(-c3ccsc3)ccc21 ZINC000071281963 EG Annotated Anodyne Cc1ccc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)cc1 ZINC000071281998 EG Annotated Mild Cc1cccc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)c1 ZINC000071282316 EG Annotated Mild [O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(-c3ccc[nH]3)ccc21 ZINC000071294542 EG Annotated Anodyne c1ccc2c(c1)ccc[n+]2CCOCC[n+]1cccc2ccccc21 ZINC000071294580 EG Annotated Anodyne COc1cc2c[n+](CCc3cccc(Cl)c3)c(O)cc2cc1O ZINC000071294736 EG Annotated Anodyne C=CCc1c(C)nc(-c2cnccn2)nc1Nc1ccc(C(=O)O)cc1 ZINC000071294776 EG Annotated Mild O=C(c1ccccc1)N1CC[C@](O)(c2cccnc2)[C@H]2CCCC[C@@H]21 ZINC000071296370 EG Annotated Anodyne COc1ccccc1C(=O)c1sc(Nc2ccccn2)nc1N ZINC000071296399 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@@H]4O[C@@]412)[C@]1(CO1)C3 ZINC000071296430 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@@H]4O[C@@]412)[C@@]1(CO1)C3 ZINC000071296907 EG Annotated Anodyne Nc1cccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)c1 ZINC000071315945 EG Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)cc1O ZINC000071316179 EG Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)cc1O ZINC000071316180 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)C(=O)OC3=O ZINC000071317020 EG Annotated Reactive COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1O ZINC000071317273 EG Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1O ZINC000071317274 EG Annotated Anodyne CC(C)CCc1cn(-c2ccc(C(=O)N3CCCCC3)c(O)c2)nn1 ZINC000071317389 EG Annotated Anodyne CC(C)CCc1cn(-c2ccc(O)c(C(=O)N3CCCCC3)c2)nn1 ZINC000071317431 EG Annotated Anodyne COc1ccc(C(=O)c2sc(Nc3ccncc3)nc2N)cc1 ZINC000071317433 EG Annotated Anodyne O=C(OCCO[N+](=O)[O-])C1(c2ccc(-c3ccccc3)c(F)c2)CC1 ZINC000071317611 EG Annotated Anodyne O=C(O)[C@@H]1CSc2c(C3CC3)c(COc3ccccc3)cc(=O)n21 ZINC000071317725 EG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=O)[C@@H]3O ZINC000071318527 EG Annotated Anodyne COc1ccc(C(=O)c2sc(Nc3ccccn3)nc2N)cc1 ZINC000071318943 EG Annotated Anodyne CCn1ccc2cc(-c3cnc(N)nc3-c3ccccc3O)cnc21 ZINC000071319033 EG Annotated Anodyne O=c1[nH]nc2n1-c1ccc(OCc3ccccc3Cl)cc1CCC2 ZINC000071319350 EG Annotated Anodyne Cc1ccc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)o1 ZINC000071329032 EG Annotated Mild COc1ccccc1C(=O)c1sc(Nc2cccnc2)nc1N ZINC000071329269 EG Annotated Anodyne Cc1c(Cc2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000071329341 EG Annotated Anodyne O=C(c1cscn1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071329474 EG Annotated Anodyne O=C(c1ccccc1)N1CC[C@](O)(c2ccccn2)[C@H]2CCCC[C@@H]21 ZINC000071329493 EG Annotated Anodyne Nc1nc(Nc2cccnc2)sc1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000071329575 EG Annotated Bother COC[C@]12CCC(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 ZINC000071330784 EG Annotated Reactive COc1ccc(C(=O)c2sc(Nc3cccnc3)nc2N)cc1 ZINC000071330812 EG Annotated Anodyne COc1cccc(C(=O)c2sc(Nc3ccccn3)nc2N)c1 ZINC000071330852 EG Annotated Anodyne COc1ccccc1C(=O)c1sc(Nc2ccncc2)nc1N ZINC000071330989 EG Annotated Anodyne COc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1 ZINC000071331087 EG Annotated Anodyne O=c1cc(CNCc2ccccc2Cl)oc2ccc(O)c(O)c12 ZINC000071331309 EG Annotated Clean COc1cccc(C#Cc2ccc3c(n2)CCN(C2CCCC2)C3=O)c1 ZINC000071331466 EG Annotated Mild Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)n[nH]1 ZINC000071331763 EG Annotated Mild CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1ccc(C(C)(C)C)cc1 ZINC000071331927 EG Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1ccc(C(C)(C)C)cc1 ZINC000071331929 EG Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1ccc(C(C)(C)C)cc1 ZINC000071331931 EG Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1ccc(C(C)(C)C)cc1 ZINC000071331932 EG Annotated Anodyne N=C(N)NC(=N)Nc1cccc(SCc2ccc(Cl)cc2)c1 ZINC000071331940 EG Annotated Anodyne CN1C(=O)O[C@@](C)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)C1=O ZINC000071333027 EG Annotated Anodyne CN1C(=O)O[C@](C)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)C1=O ZINC000071333029 EG Annotated Anodyne O=C(O)c1cn(Cc2ccc3ncccc3c2)c2cccc(F)c2c1=O ZINC000071334458 EG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C/C(=N/O)C4=C/C(=N\O)CC[C@@]43C)[C@@H]1CCC(=O)N2 ZINC000071334805 EG Annotated Mild O=C1C[C@@H]2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1 ZINC000071335089 EG Annotated Anodyne O=C1C[C@H]2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1 ZINC000071335092 EG Annotated Anodyne N=C(N)NC(=N)Nc1ccc(SCc2ccc(Cl)cc2)cc1 ZINC000071340264 EG Annotated Anodyne C#CCOc1ccc2c(c1)C(=O)c1c-2c(OCC#C)nc2ccccc12 ZINC000071340874 EG Annotated Mild C[C@@]12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2 ZINC000071340885 EG Annotated Anodyne C[C@]12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2 ZINC000071340886 EG Annotated Anodyne CC#C[C@@H](c1ccc(OCc2ccccc2)cc1)[C@H]1OC(=O)NC1=O ZINC000071341174 EG Annotated Mild CC#C[C@H](c1ccc(OCc2ccccc2)cc1)[C@H]1OC(=O)NC1=O ZINC000071341175 EG Annotated Mild CC#C[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1OC(=O)NC1=O ZINC000071341176 EG Annotated Mild CC#C[C@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1OC(=O)NC1=O ZINC000071341177 EG Annotated Mild O=C1c2ccc(C#Cc3cccnc3)nc2CCN1C1CCCCC1 ZINC000071341336 EG Annotated Mild C[C@]12CC[C@H]3[C@@H](C/C(=N/O)[C@H]4C/C(=N\O)CC[C@@]43C)[C@@H]1CCC(=O)N2 ZINC000071341355 EG Annotated Mild C[C@]12CC[C@H]3[C@@H](C/C(=N/O)[C@@H]4C/C(=N\O)CC[C@]34C)[C@@H]1CCC(=O)N2 ZINC000071341356 EG Annotated Mild N#Cc1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1 ZINC000071341713 EG Annotated Mild CCC1=C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000071464810 EG Annotated Anodyne C=C1CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@@H]1O ZINC000071712305 EG Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000071756380 EG Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000071756381 EG Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000071756388 EG Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000071757614 EG Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000071757620 EG Annotated Mild O=C(C[C@H]1C=CS(=O)(=O)C1)NCC1CCC(c2ccccc2)CC1 ZINC000071888117 EG Annotated Anodyne O=C(C[C@@H]1C=CS(=O)(=O)C1)NCC1CCC(c2ccccc2)CC1 ZINC000071888118 EG Annotated Anodyne CC(C)OCCCNc1nccn(-c2ccc(F)c(Cl)c2)c1=O ZINC000071928050 EG Annotated Anodyne CCOCc1nc(N2CCCC2)sc1C(=O)NCc1ccc(C)o1 ZINC000071928128 EG Annotated Anodyne N#CC(=C\c1[nH]c2ccccc2c1O)/C(N)=N/CCc1ccccc1 ZINC000071928346 EG Annotated Reactive N#Cc1ccc(CN2CCC[C@@]3(Cc4ccccc4CNC3=O)C2)cc1 ZINC000071993555 EG Annotated Anodyne N#Cc1ccc(CN2CCC[C@]3(Cc4ccccc4CNC3=O)C2)cc1 ZINC000071993556 EG Annotated Anodyne O=C1NCc2ccccc2C[C@@]12CCCN(Cc1ccsc1)C2 ZINC000071993741 EG Annotated Anodyne O=C1NCc2ccccc2C[C@]12CCCN(Cc1ccsc1)C2 ZINC000071993742 EG Annotated Anodyne CN(C)CCN(Cc1ccccc1)Cc1coc(-c2ccco2)n1 ZINC000072100955 EG Annotated Anodyne CCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCC=N1 ZINC000072101015 EG Annotated Mild Cc1cc(N)nn1Cc1coc(-c2ccccc2Br)n1 ZINC000072101016 EG Annotated Anodyne CCOc1ccc(Oc2cc(/C(=N/O)n3ccnc3C)ccn2)cc1 ZINC000072101050 EG Annotated Mild COc1ccccc1Oc1ncccc1/C(=N/O)NCc1ccco1 ZINC000072101061 EG Annotated Mild Cc1ccc(/C(=N/O)N(C)Cc2cccnc2)c(Oc2cccnc2)n1 ZINC000072101346 EG Annotated Mild O/N=C(\NCc1cc(F)cc(F)c1)c1cccnc1OC1CCC1 ZINC000072101357 EG Annotated Mild CSCCN/C(=N\O)c1ccc(C)nc1OCc1ccccc1C ZINC000072101364 EG Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)c(C)c1 ZINC000072101424 EG Annotated Mild COc1ccc(CN/C(=N\O)c2cccnc2OCC(C)C)cc1 ZINC000072101695 EG Annotated Mild O/N=C(/c1ccc(Oc2ccc(-n3ccnc3)cc2)nc1)N1CC=CC1 ZINC000072101781 EG Annotated Mild COc1cc(-c2nc(CN3CCCCC3)co2)cc(OC)c1OC ZINC000072101904 EG Annotated Anodyne COc1cc(-c2nc(CN3CC=CCC3)co2)cc(OC)c1OC ZINC000072102068 EG Annotated Anodyne CCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCN=C1C ZINC000072102272 EG Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)NCCSC)ccn2)cc1 ZINC000072102365 EG Annotated Mild CSc1ccccc1Oc1ncccc1/C(=N/O)N1CCOCC1 ZINC000072102403 EG Annotated Mild Brc1ccccc1-c1nc(CNC[C@@H]2CCCO2)co1 ZINC000072102453 EG Annotated Anodyne COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC=CC2)cc1 ZINC000072102485 EG Annotated Mild COc1ccc(Oc2ncccc2/C(=N/O)N2CCSCC2)cc1 ZINC000072102491 EG Annotated Mild Cc1nc(C=O)cn1Cc1coc(-c2ccccc2Br)n1 ZINC000072102496 EG Annotated Anodyne CCOc1ccccc1-c1nc(CN(C)C2CCN(C)CC2)co1 ZINC000072102715 EG Annotated Anodyne COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)n1ccnc1 ZINC000072102728 EG Annotated Mild N#CCCN(Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CCCO1 ZINC000072102827 EG Annotated Mild N#CCCN(Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCCO1 ZINC000072102828 EG Annotated Mild CC(C)COc1ncccc1/C(=N/O)NCc1c(F)cccc1F ZINC000072103006 EG Annotated Mild COc1cccc(CNCc2coc(-c3ccc(O)cc3)n2)c1OC ZINC000072103030 EG Annotated Anodyne COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1CCC=N1 ZINC000072103034 EG Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC=N2)cc1 ZINC000072103148 EG Annotated Mild C[C@@H]1CN1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072103376 EG Annotated Mild C[C@H]1CN1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072103377 EG Annotated Mild CSCCN/C(=N\O)c1ccc(C)nc1OCc1ccccc1F ZINC000072103425 EG Annotated Mild COc1ccc(Oc2cc(/C(=N/O)N3CC=CCC3)ccn2)cc1 ZINC000072103581 EG Annotated Mild Cc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccc2F)n1 ZINC000072103706 EG Annotated Mild C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)OC ZINC000072104331 EG Annotated Mild C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)OC ZINC000072104332 EG Annotated Mild C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)/C=C/CC(=O)OC ZINC000072104333 EG Annotated Mild CCc1nc(C)c(/C=C2\C(=O)N(C)c3ccc(C(=O)CCl)cc32)[nH]1 ZINC000072105907 EG Annotated Reactive CCN(C1=CC(=O)c2cnc3c(c2C1=O)C(=O)CCC3)c1ccccc1 ZINC000072106350 EG Annotated Mild CCN(C1=CC(=O)c2c(cnc3c2C(=O)CCC3)C1=O)c1ccccc1 ZINC000072107027 EG Annotated Mild O[C@@]1(c2ccc(Cl)cc2)C[n+]2cccnc2N1C1CCCCC1 ZINC000072107108 EG Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@H](C)NCc1ccccc1)CC2 ZINC000072107390 EG Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@H](C)NCc1ccccc1)CC2 ZINC000072107391 EG Annotated Anodyne CN=[S@@](C)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 ZINC000072107693 EG Annotated Anodyne N#Cc1c(-c2ccccc2)cc(NCCN)n2c1nc1ccccc12 ZINC000072108144 EG Annotated Mild Cc1nc2c(Br)cc(Br)c(O)c2nc1C ZINC000072108452 EG Annotated Anodyne COc1cc(C(=O)c2c[nH]c(-c3ccc(C)cc3)n2)cc(OC)c1O ZINC000072108580 EG Annotated Anodyne CC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H]3C[C@H](C3(C)C)[C@@]1(C)O2 ZINC000072109039 EG Annotated Anodyne CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@@]1(C)[C@@H](C2)C[C@H]2C[C@@H]1C2(C)C ZINC000072109040 EG Annotated Anodyne CC1(C)[C@H]2C[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(C)[C@@H]1C2 ZINC000072109069 EG Annotated Anodyne CC1(C)[C@H]2CC[C@@]3(CCc4c(O)c(C=O)c(O)c(C=O)c4O3)[C@@H]1C2 ZINC000072109257 EG Annotated Anodyne Nc1ccc(-c2cnc3cc(I)ccc3n2)cc1 ZINC000072110064 EG Annotated Anodyne CC1(C)[C@H]2C[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(C)C[C@H]21 ZINC000072110228 EG Annotated Anodyne CC1(C)[C@H]2CC[C@H](C2)[C@]12CCc1c(O)c(C=O)c(O)c(C=O)c1O2 ZINC000072110314 EG Annotated Anodyne CC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H]3[C@@H](C[C@@]1(C)O2)C3(C)C ZINC000072110355 EG Annotated Anodyne COC(=O)CCCc1cc[nH]c1/C=C1\N=C(c2ccc[nH]2)C=C1OC ZINC000072110372 EG Annotated Anodyne CCC(=O)N[C@H](C1=C(O)[C@H]2NCCC[C@H]2C(Cl)=C1)c1ccco1 ZINC000072110380 EG Annotated Anodyne CCC(=O)N[C@@H](C1=C(O)[C@H]2NCCC[C@H]2C(Cl)=C1)c1ccco1 ZINC000072110381 EG Annotated Anodyne CCC(=O)N[C@H](C1=C(O)[C@@H]2NCCC[C@H]2C(Cl)=C1)c1ccco1 ZINC000072110382 EG Annotated Anodyne CCC(=O)N[C@@H](C1=C(O)[C@@H]2NCCC[C@H]2C(Cl)=C1)c1ccco1 ZINC000072110383 EG Annotated Anodyne COc1ccc(C(=O)COC2=C(C)C(=O)C(=O)c3ccccc32)cc1 ZINC000072111162 EG Annotated Mild CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccccc1 ZINC000072111404 EG Annotated Mild COCOCc1cc2c(cc1-c1cc3ccccc3c(=O)[nH]1)OCO2 ZINC000072112092 EG Annotated Anodyne O[C@@]1(c2ccc(Cl)cc2)C[n+]2cccnc2N1C1CCCCCC1 ZINC000072112192 EG Annotated Anodyne CCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)cc1 ZINC000072112273 EG Annotated Anodyne COc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)c(N)c1 ZINC000072113529 EG Annotated Anodyne C/C=C\c1nc([C@H]2OC(=O)C=C[C@@H]2OC(C)=O)c(-c2ccccc2)o1 ZINC000072113540 EG Annotated Anodyne COc1ccc2c(c1)[nH]c1c3c(c(C=O)cc12)O[C@H](C(C)(C)O)C3 ZINC000072113711 EG Annotated Anodyne COc1ccc2c(c1)[nH]c1c3c(c(C=O)cc12)O[C@@H](C(C)(C)O)C3 ZINC000072113712 EG Annotated Anodyne COc1ccc2c(c1)[nH]c1c3c(c(C=O)cc12)OC(C)(C)[C@H](O)C3 ZINC000072114280 EG Annotated Anodyne COc1ccc2c(c1)[nH]c1c3c(c(C=O)cc12)OC(C)(C)[C@@H](O)C3 ZINC000072114281 EG Annotated Anodyne COc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1N ZINC000072114665 EG Annotated Anodyne C=CCn1c(-c2cc3c(cc2C=O)OCO3)cc2ccccc2c1=O ZINC000072114978 EG Annotated Mild N#Cc1ccc(Nc2nccc([C@H](O)c3cc(F)ccc3F)n2)cc1 ZINC000072114997 EG Annotated Mild N#Cc1ccc(Nc2nccc([C@@H](O)c3cc(F)ccc3F)n2)cc1 ZINC000072114998 EG Annotated Mild O=c1c(-c2ccco2)nnc2n1CCN2c1c(Cl)cccc1Cl ZINC000072116529 EG Annotated Anodyne C[C@@H]1C(=O)N(CCCc2ccccc2)[C@]1(Cc1ccccc1)C(=O)O ZINC000072116862 EG Annotated Anodyne Cc1cccc(C)c1Oc1ccc(=O)n(Nc2cccc(C#N)c2)n1 ZINC000072118060 EG Annotated Mild CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(C(C)C)CC2)O1 ZINC000072118419 EG Annotated Anodyne N#Cc1ccc(Nc2ccc(=O)n(Nc3ccc(C#N)cc3)c2)cc1 ZINC000072118584 EG Annotated Mild O=S(=O)(Cc1ccccc1Cl)c1ccc(-c2ccccn2)nn1 ZINC000072122819 EG Annotated Anodyne N#Cc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1 ZINC000072124613 EG Annotated Mild Oc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21 ZINC000072124848 EG Annotated Anodyne Oc1ccc(CCc2nnc3n2N=C(c2ccccc2)CS3)cc1 ZINC000072127624 EG Annotated Anodyne C=CCCN1[C@H](Cc2ccccc2)COc2ccccc2S1(=O)=O ZINC000072134783 EG Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C[C@@H]3O ZINC000072136038 EG Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000072136039 EG Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C[C@@H]3O ZINC000072136040 EG Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000072136041 EG Annotated Mild C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1C ZINC000072136141 EG Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1C ZINC000072136142 EG Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1C ZINC000072136143 EG Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1C ZINC000072136144 EG Annotated Anodyne CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@@H]1C ZINC000072136785 EG Annotated Anodyne CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@@H]1C ZINC000072136786 EG Annotated Anodyne COCCN(CCOC)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000072138176 EG Annotated Bother C=CCN1[C@H](CC(C)C)COc2c(Cl)cccc2S1(=O)=O ZINC000072139422 EG Annotated Mild C=CCN1[C@@H](CC(C)C)COc2c(Cl)cccc2S1(=O)=O ZINC000072139423 EG Annotated Mild N#CCCN(Cc1cccnc1)Cc1coc(-c2ccc(O)cc2)n1 ZINC000072141512 EG Annotated Mild Cc1cc(NCCN2CCCC2)n2nc(-c3cccc(F)c3)cc2n1 ZINC000072142360 EG Annotated Anodyne O=c1c(-c2ccco2)nnc2n1CCN2c1ccc(Cl)c(Cl)c1 ZINC000072142396 EG Annotated Anodyne O/N=C(/c1ccc(Oc2cccc3cccnc23)nc1)n1ccnc1 ZINC000072142405 EG Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)N3CCSC3)cn2)c1 ZINC000072142681 EG Annotated Mild Oc1ccc(-c2nc(CN3CCC[C@H]3CN3CCCC3)co2)cc1 ZINC000072142850 EG Annotated Anodyne COC[C@H](C)NCc1coc(-c2ccccc2Br)n1 ZINC000072142858 EG Annotated Anodyne COC[C@@H](C)NCc1coc(-c2ccccc2Br)n1 ZINC000072142859 EG Annotated Anodyne O/N=C(/c1cccnc1Oc1ccc2ccccc2c1)N1CCOCC1 ZINC000072142914 EG Annotated Mild Cc1nc(NC2(CN3CCCCC3)CCCCC2)c2cnn(C)c2n1 ZINC000072149570 EG Annotated Anodyne Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)nc2c1C ZINC000072170715 EG Annotated Reactive Nc1cccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)c1 ZINC000072170722 EG Annotated Anodyne O=C1c2cccnc2S(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000072170814 EG Annotated Anodyne COc1ccc(Cn2c(S)nc3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000072171089 EG Annotated Bother CCOC(=O)CSc1nnc2oc3c(Cl)cc(Cl)cc3n12 ZINC000072172319 EG Annotated Anodyne O=C1CCNC(=O)c2c1ccn2Cc1ccc(-c2cccc(O)c2)cc1 ZINC000072174772 EG Annotated Anodyne O=C1NCC[C@H](O)c2ccn(Cc3ccc(-c4ccccc4)cc3)c21 ZINC000072175161 EG Annotated Anodyne O=C1NCC[C@@H](O)c2ccn(Cc3ccc(-c4ccccc4)cc3)c21 ZINC000072175162 EG Annotated Anodyne O=C1CCNC(=O)c2c1ccn2Cc1ccc(-c2ccc(O)cc2)cc1 ZINC000072175370 EG Annotated Anodyne CCCCOc1cc(-c2noc(C3CCNCC3)n2)ccc1OC ZINC000072175831 EG Annotated Anodyne O=C1/C(=C\Nc2cc[nH]n2)C(c2ccccc2)=NN1c1ccccc1 ZINC000072175940 EG Annotated Clean O=[N+]([O-])c1ccc(-c2nnc3sc(Nc4ccccc4)nn23)o1 ZINC000072176392 EG Annotated Bother O=[N+]([O-])c1ccc(-c2nnc3sc(Nc4ccc(F)cc4)nn23)o1 ZINC000072176393 EG Annotated Bother Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)[nH]c2cc1C ZINC000072176509 EG Annotated Reactive CC1(C)Oc2cc(OC(=O)c3ccc(F)cc3F)ccc2C[C@H]1O ZINC000072176861 EG Annotated Anodyne CC1(C)Oc2cc(OC(=O)c3ccc(F)cc3F)ccc2C[C@@H]1O ZINC000072176862 EG Annotated Anodyne COc1ccc(N/N=C2\C(=O)Oc3ccc4ccccc4c3C2=O)cc1 ZINC000072176985 EG Annotated Mild CSc1nn(-c2ccccc2)c2cc(N3C[C@H]4C[C@@H]3CN4)ccc12 ZINC000072177584 EG Annotated Anodyne CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc[nH]4)c3c2)c1C ZINC000072177826 EG Annotated Anodyne C[C@@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)cc2)C1=O ZINC000072178067 EG Annotated Anodyne C[C@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)cc2)C1=O ZINC000072178068 EG Annotated Anodyne C[C@@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)cc2)C1=O ZINC000072178069 EG Annotated Anodyne C[C@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)cc2)C1=O ZINC000072178070 EG Annotated Anodyne Oc1ccc2ccccc2c1[C@@H](c1ccncc1)N1CCC(O)CC1 ZINC000072178212 EG Annotated Clean Oc1ccc2ccccc2c1[C@H](c1ccncc1)N1CCC(O)CC1 ZINC000072178213 EG Annotated Clean Oc1ccc2ccccc2c1[C@@H](c1ccccn1)N1CCC(O)CC1 ZINC000072178644 EG Annotated Clean Oc1ccc2ccccc2c1[C@H](c1ccccn1)N1CCC(O)CC1 ZINC000072178645 EG Annotated Clean COC(=O)c1nc(-c2ccc[nH]2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072178824 EG Annotated Anodyne Cc1ccc(C#Cc2nc3ncccc3nc2O[C@@H](C)CN(C)C)cc1 ZINC000072179022 EG Annotated Mild Cc1ccc(C#Cc2nc3ncccc3nc2O[C@H](C)CN(C)C)cc1 ZINC000072179023 EG Annotated Mild CC(=O)OCOC(=O)N(C)/N=N/c1ccc(Br)cc1 ZINC000072179095 EG Annotated Reactive COC(=O)c1nc(-c2ccoc2)n(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072179096 EG Annotated Anodyne O=C(Cc1ccccc1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000072179745 EG Annotated Reactive COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCSC2)cc1 ZINC000072180194 EG Annotated Mild Cc1cc(NCCCN(C)C)n2nc(-c3cccc(F)c3)cc2n1 ZINC000072180226 EG Annotated Anodyne CCc1ccc(Oc2ncccc2/C(=N/O)N[C@@H](C)COC)cc1 ZINC000072180346 EG Annotated Mild CCc1ccc(Oc2ncccc2/C(=N/O)N[C@H](C)COC)cc1 ZINC000072180347 EG Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)NCc3ccco3)cn2)c1 ZINC000072180528 EG Annotated Mild CCC(C)(C)N/C(=N\O)c1ccc(C)nc1OCc1ccccn1 ZINC000072180531 EG Annotated Mild CN(Cc1coc(-c2ccc(Cl)cc2Cl)n1)CC1OCCO1 ZINC000072180670 EG Annotated Anodyne Cc1ccc(/C(=N/O)N2CCCCCC2)c(OCc2ccccn2)n1 ZINC000072180782 EG Annotated Mild Cc1ccc(/C(=N/O)N2CCSC2)c(OCc2ccccc2)n1 ZINC000072181081 EG Annotated Mild CC(C)CCc1c(OCCCCC(=O)NO)ccc2c1OC(=O)CC2 ZINC000072181084 EG Annotated Bother COc1ccccc1CN/C(=N\O)c1ccc(C)nc1OC1CCC1 ZINC000072181134 EG Annotated Mild CCOc1cccc(-c2nc(CN3CCC4(CC3)OCCO4)co2)c1 ZINC000072181280 EG Annotated Anodyne COCCN/C(=N\O)c1ccnc(Oc2cccc(C(C)C)c2)c1 ZINC000072181343 EG Annotated Mild CC(C)COc1ccc(-c2nc(CNCCCN(C)C)co2)cc1 ZINC000072181454 EG Annotated Anodyne Cc1ccc(/C(=N/O)N2CCSC2)c(OCc2cccc(F)c2)n1 ZINC000072181787 EG Annotated Mild O/N=C(\NCC1CCCCC1)c1cccnc1OCC(F)(F)F ZINC000072181792 EG Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)N2CCC=N2)c2c1CCC2 ZINC000072181882 EG Annotated Mild CSCCN/C(=N\O)c1ccc(C)nc1OCc1cccc(F)c1 ZINC000072181969 EG Annotated Mild O/N=C(/c1cccnc1OCC1CCCCC1)N1CCSCC1 ZINC000072182090 EG Annotated Mild O/N=C(\NCc1ccncc1)c1ccc(Oc2cccc(F)c2)nc1 ZINC000072182099 EG Annotated Mild Cc1cn(/C(=N\O)c2ccc(C)nc2OCc2ccccc2F)cn1 ZINC000072182124 EG Annotated Mild O/N=C(\NCc1ccncc1)c1cccnc1Oc1ccc(F)cc1 ZINC000072182303 EG Annotated Mild COc1ccc(-c2nc(CN(C)c3cccc(OC)n3)co2)cc1 ZINC000072182332 EG Annotated Anodyne COC[C@H](C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1 ZINC000072182455 EG Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1 ZINC000072182456 EG Annotated Mild O/N=C(\NCc1cccnc1)c1cccnc1OCC1CCCCC1 ZINC000072182567 EG Annotated Mild COc1ccc(Oc2ccc(/C(=N/O)n3nc(C)cc3C)cn2)cc1 ZINC000072182631 EG Annotated Mild CC(C)c1ccc(Oc2ncccc2/C(=N/O)N2CCOCC2)cc1 ZINC000072182636 EG Annotated Mild CSc1ccc(Oc2ccc(/C(=N/O)n3ccnc3)cn2)cc1 ZINC000072182678 EG Annotated Mild COC[C@H](C)N/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1 ZINC000072182687 EG Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1 ZINC000072182688 EG Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCCSC)cc1 ZINC000072182795 EG Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CCC2)cc1 ZINC000072182820 EG Annotated Mild COc1ccc(Oc2cc(/C(=N/O)NCc3ccco3)ccn2)cc1 ZINC000072182949 EG Annotated Mild COc1ccccc1Oc1ncccc1/C(=N/O)N1CCSCC1 ZINC000072182953 EG Annotated Mild O/N=C(\NCc1ccccn1)c1ccnc(Oc2cccc(F)c2)c1 ZINC000072182954 EG Annotated Mild CCOc1ccccc1Oc1ncccc1/C(=N/O)n1cnc(C)c1 ZINC000072182982 EG Annotated Mild O=Cc1cn(Cc2coc(-c3ccc(Br)cc3)n2)cn1 ZINC000072183065 EG Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)NCc2ccco2)cc1 ZINC000072183120 EG Annotated Mild O/N=C(\NC[C@@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072183276 EG Annotated Mild O/N=C(\NC[C@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072183277 EG Annotated Mild Cc1ccc(/C(=N/O)N2CC=CC2)c(OCc2cccc(F)c2)n1 ZINC000072183290 EG Annotated Mild Cc1ccc(/C(=N/O)n2ccnc2C)c(OCc2ccccc2C)n1 ZINC000072183292 EG Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)NC[C@@H]3CCCO3)cn2)c1 ZINC000072183318 EG Annotated Mild Cc1cc(C)cc(Oc2ccc(/C(=N/O)NC[C@H]3CCCO3)cn2)c1 ZINC000072183319 EG Annotated Mild COC[C@H](C)N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072183347 EG Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072183348 EG Annotated Mild O/N=C(\NCc1cccnc1)c1ccnc(Oc2cccc(F)c2)c1 ZINC000072183362 EG Annotated Mild COCCN/C(=N\O)c1cccnc1Oc1ccc(C)c2c1CCC2 ZINC000072183687 EG Annotated Mild CCN(CCC#N)Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000072183719 EG Annotated Mild COC[C@H](C)N/C(=N\O)c1ccc(C)nc1OCc1ccccc1C ZINC000072183753 EG Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1OCc1ccccc1C ZINC000072183754 EG Annotated Mild CCOc1ccc(Oc2cc(/C(=N/O)N3CCC=N3)ccn2)cc1 ZINC000072184066 EG Annotated Mild Cc1ccc(/C(=N/O)N(C)Cc2ccco2)c(Oc2cccnc2)n1 ZINC000072184097 EG Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NCCN(C)C)c(C)c1 ZINC000072184316 EG Annotated Mild Cc1ncn(Cc2coc(-c3ccc(Br)cc3)n2)c1C=O ZINC000072184336 EG Annotated Anodyne CCOCCNCc1coc(-c2ccccc2Br)n1 ZINC000072184414 EG Annotated Anodyne COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC2CC2)cc1 ZINC000072184436 EG Annotated Mild Cc1cn(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)cn1 ZINC000072184476 EG Annotated Mild CCOC(=O)C1CCN(Cc2coc(-c3ccccc3C)n2)CC1 ZINC000072184522 EG Annotated Anodyne O/N=C(\NCc1ccccc1F)c1cccnc1OCC(F)(F)F ZINC000072184637 EG Annotated Mild CCOc1ccccc1CN/C(=N\O)c1cccnc1OCC(C)C ZINC000072184775 EG Annotated Mild COC[C@H](C)N/C(=N\O)c1ccc(Oc2cc(C)cc(C)c2)nc1 ZINC000072184802 EG Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(Oc2cc(C)cc(C)c2)nc1 ZINC000072184803 EG Annotated Mild O/N=C(/c1ccc(Oc2ccc3ccccc3c2)nc1)N1CCOCC1 ZINC000072184965 EG Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)c1 ZINC000072185081 EG Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)n3nc(C)cc3C)cn2)c1 ZINC000072185114 EG Annotated Mild COC[C@H](C)N/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1 ZINC000072185124 EG Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1 ZINC000072185125 EG Annotated Mild COCCN/C(=N\O)c1cccnc1Oc1ccc(C(C)C)cc1 ZINC000072185234 EG Annotated Mild Cc1ccc(/C(=N/O)N2CCCC2)c(OCc2ccccc2F)n1 ZINC000072185428 EG Annotated Mild Oc1ccc(-c2nc(CN3CCN(C4CCCCC4)CC3)co2)cc1 ZINC000072185530 EG Annotated Anodyne COc1cccc(CN/C(=N\O)c2ccc(C)nc2OCC(C)C)c1 ZINC000072185535 EG Annotated Mild CCOc1ccccc1-c1nc(CN2CCC3(CC2)OCCO3)co1 ZINC000072185558 EG Annotated Anodyne CN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)CC1OCCO1 ZINC000072185596 EG Annotated Anodyne COc1cc(CNCc2coc(-c3ccc(O)cc3)n2)cc(OC)c1 ZINC000072185631 EG Annotated Anodyne CCOc1ccc(-c2nc(CNCC(C)(C)CN(C)C)co2)cc1 ZINC000072185683 EG Annotated Anodyne CSCCN/C(=N\O)c1cccnc1Oc1c(F)cccc1F ZINC000072185812 EG Annotated Mild OC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072185918 EG Annotated Anodyne OC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072185919 EG Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)n2nc(C)cc2C)cc1 ZINC000072186007 EG Annotated Mild CCOc1cccc(-c2nc(CNCC(C)(C)CN(C)C)co2)c1 ZINC000072186008 EG Annotated Anodyne O=Cc1nccn1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000072186024 EG Annotated Anodyne C[C@@H]1CCCN1/C(=N\O)c1cccnc1OCc1ccccc1F ZINC000072186045 EG Annotated Mild C[C@H]1CCCN1/C(=N\O)c1cccnc1OCc1ccccc1F ZINC000072186046 EG Annotated Mild Cc1ccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc1 ZINC000072186118 EG Annotated Mild Cc1ccc(/C(=N/O)N2CCSC2)c(Oc2cccc(F)c2)n1 ZINC000072186195 EG Annotated Mild CSCCN/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1 ZINC000072186210 EG Annotated Mild CCc1nccn1Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000072186377 EG Annotated Anodyne Cc1cn(/C(=N\O)c2ccc(C)nc2OCc2cccc(F)c2)cn1 ZINC000072186464 EG Annotated Mild Cc1ccc(/C(=N/O)NC2CCC2)c(OCc2cccc(F)c2)n1 ZINC000072186500 EG Annotated Mild Cc1ccc(/C(=N/O)n2ccnc2)c(Oc2ccc(F)c(F)c2)n1 ZINC000072186505 EG Annotated Mild O/N=C(\NCc1ccccn1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000072186552 EG Annotated Mild O/N=C(\NCc1c(F)cccc1F)c1cccnc1OC1CCC1 ZINC000072186558 EG Annotated Mild Cc1ccc(/C(=N/O)NCc2ccccc2)c(OCc2ccccn2)n1 ZINC000072186585 EG Annotated Mild CC(C)(C)OC(=O)NC1CCC(Nc2ccnc(Cl)n2)CC1 ZINC000072203896 EG Annotated Anodyne Cc1ccc(-c2ccc(O[C@@H]3C4CCN(CC4)[C@H]3C)nn2)c(F)c1 ZINC000072283456 EG Annotated Anodyne N#Cc1ccccc1OCCN1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000072299949 EG Annotated Mild N#Cc1ccccc1OCCN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000072299950 EG Annotated Mild COc1c(C)cnc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1C ZINC000072299959 EG Annotated Anodyne COc1c(C)cnc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1C ZINC000072299960 EG Annotated Anodyne CCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000072314853 EG Annotated Anodyne CCN1CC(C)(C)OC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000072314854 EG Annotated Anodyne CNc1cccc(NCCc2cccc(NCCc3ccccn3)n2)n1 ZINC000072316762 EG Annotated Anodyne CNc1cccc(NCCc2cccc(NCc3ccccn3)n2)n1 ZINC000072316763 EG Annotated Anodyne CNc1cccc(CCNc2cccc(NCCc3ccccn3)n2)n1 ZINC000072316764 EG Annotated Anodyne COc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1OC ZINC000072317057 EG Annotated Anodyne C[C@@H]1CC[C@@]2(CO)C(C(=O)O)=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000072320356 EG Annotated Anodyne CCN(CC)CCC[C@@H](C)NC(=O)c1cnc2cc(C(C)=O)[nH]c2c1 ZINC000072322842 EG Annotated Anodyne CCN(CC)CCC[C@H](C)NC(=O)c1cnc2cc(C(C)=O)[nH]c2c1 ZINC000072322843 EG Annotated Anodyne CCN(CC)CCCNC(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072323128 EG Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323647 EG Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072323648 EG Annotated Anodyne N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)N3CCCC3)cc12 ZINC000072323713 EG Annotated Mild CCCCNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323731 EG Annotated Mild CC(C)CNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323733 EG Annotated Mild CCCn1ccnc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072360821 EG Annotated Anodyne CCCn1ccnc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072360822 EG Annotated Anodyne Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(C(C)C)C2)n1 ZINC000072361674 EG Annotated Anodyne Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN(C(C)C)C2)n1 ZINC000072361675 EG Annotated Anodyne CC(C)(C)CN1CCC[C@H](c2nccnc2Nc2cnccn2)C1 ZINC000072361897 EG Annotated Anodyne CC(C)(C)CN1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 ZINC000072361898 EG Annotated Anodyne CC(C)n1ccnc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072366774 EG Annotated Anodyne CC(C)n1ccnc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072366775 EG Annotated Anodyne c1c[nH]c(CN2CCC[C@@H](Cc3ccc(NC4CCCC4)nn3)C2)n1 ZINC000072387295 EG Annotated Anodyne c1c[nH]c(CN2CCC[C@H](Cc3ccc(NC4CCCC4)nn3)C2)n1 ZINC000072387296 EG Annotated Anodyne Cc1ccc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)s1 ZINC000072393850 EG Annotated Anodyne Cc1ccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)s1 ZINC000072393851 EG Annotated Anodyne Cc1cc(C(F)(F)F)nc(CNc2cc(C)nc3cc(C)nn23)n1 ZINC000072407223 EG Annotated Anodyne Cc1cc(N[C@@H](C)c2nncn2C2CCCC2)n2nc(C)cc2n1 ZINC000072426704 EG Annotated Anodyne Cc1cc(N[C@H](C)c2nncn2C2CCCC2)n2nc(C)cc2n1 ZINC000072426705 EG Annotated Anodyne Cc1cc2nc(C(C)C)cc(NC[C@@H](c3ccccn3)N(C)C)n2n1 ZINC000072481146 EG Annotated Anodyne Cc1cc2nc(C(C)C)cc(NC[C@H](c3ccccn3)N(C)C)n2n1 ZINC000072481147 EG Annotated Anodyne C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)/C=C\CC(=O)OC ZINC000072946506 EG Annotated Mild C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)/C=C\CC(=O)OC ZINC000072946509 EG Annotated Anodyne N#Cc1c(Nc2ccccc2)c(/C=N\N=C\c2ccccc2)c[nH]c1=O ZINC000073010244 EG Annotated Mild CCOC(=O)c1c(C)[nH]c(/C(C)=N\NC(=O)c2cccs2)c1C ZINC000073067470 EG Annotated Reactive CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2cc(N)ccc12 ZINC000073129372 EG Annotated Bother CCCCCCCCn1n[n+](CC)c2c1C(=O)c1ccccc1C2=O ZINC000073140425 EG Annotated Mild C[C@@H](Oc1cc([C@H](CN)CC(=O)O)ccc1Cl)c1ccncc1 ZINC000073140540 EG Annotated Anodyne COc1cccc(Cn2nncc2-c2cc(OC)cc(OC)c2)c1 ZINC000073141499 EG Annotated Anodyne Cn1cc(-c2ccccc2OCC(=O)c2ccc(Cl)nc2)cn1 ZINC000073156971 EG Annotated Anodyne C[C@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)OCCN2C)c1ccccc1 ZINC000073157064 EG Annotated Reactive CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1 ZINC000073158920 EG Annotated Anodyne CN(C)CCN1C(=O)CCc2cc(NC(=N)c3cccs3)ccc21 ZINC000073159827 EG Annotated Anodyne CN1C(=N)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000073159970 EG Annotated Bother CCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])s3)O2)cc1 ZINC000073161143 EG Annotated Bother CCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])s3)O2)cc1 ZINC000073161146 EG Annotated Bother C=CCO[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1 ZINC000073162133 EG Annotated Mild C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@H]1O ZINC000073162260 EG Annotated Mild CC(=O)Nc1ccnc(SC(F)(F)c2nc3ccccc3o2)n1 ZINC000073163691 EG Annotated Anodyne COc1cc2c(cc1OC)/C(=N/NC(=S)Nc1ccccc1)CC2 ZINC000073165266 EG Annotated Mild C[C@H](Oc1cc([C@H](CN)CC(=O)O)ccc1Cl)c1ccncc1 ZINC000073165880 EG Annotated Anodyne Cc1cnccc1COc1cc([C@H](CN)CC(=O)O)ccc1Cl ZINC000073165885 EG Annotated Anodyne CCOc1ccc(C2=NN(C)C(=O)Cc3ccccc32)cc1OCC ZINC000073167716 EG Annotated Anodyne CCn1ncn(-c2nc3c(s2)[C@H](C)Sc2sccc2-3)c1=O ZINC000073168453 EG Annotated Anodyne CCn1ncn(-c2nc3c(s2)[C@@H](C)Sc2sccc2-3)c1=O ZINC000073168456 EG Annotated Anodyne O=C(COc1ccccc1-c1cncnc1)c1ccc(Cl)nc1 ZINC000073168530 EG Annotated Anodyne CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 ZINC000073169479 EG Annotated Anodyne C=CCO[C@@H]1C=CCC[C@H]1N(O)c1ccc(Br)cn1 ZINC000073169510 EG Annotated Mild COc1cc2c3c(cc4cc(O)c(O)cc4c3c1O)[N+](C)(C)CC2 ZINC000073170023 EG Annotated Clean Cc1ccn2c(N)nnc2c1-c1ccc2c(c1)NC(=O)C21CCCC1 ZINC000073170173 EG Annotated Anodyne CCCCCCCCCn1n[n+](C)c2c1C(=O)c1ccccc1C2=O ZINC000073195827 EG Annotated Mild Cc1c(COCCCCOCC2(C)COC2)[nH]c2ccccc2c1=O ZINC000073196321 EG Annotated Anodyne CN(C)Cc1ccc(/C=C/c2ccc(CN(C)C)c(O)c2)cc1O ZINC000073197245 EG Annotated Clean O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1Cl ZINC000073197476 EG Annotated Anodyne O=S(=O)(c1cccc(Cl)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21 ZINC000073197840 EG Annotated Anodyne CCN(C(C)=O)c1cccc(-n2cnc3c(Cl)nc(C)nc32)c1 ZINC000073198720 EG Annotated Anodyne CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 ZINC000073199202 EG Annotated Anodyne CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 ZINC000073199203 EG Annotated Anodyne COc1cc(C)c(S(=O)(=O)Nc2cnc3ccccn23)c(C)c1C ZINC000073199357 EG Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C3)N1 ZINC000073200476 EG Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)N1 ZINC000073200478 EG Annotated Anodyne NC(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1 ZINC000073219207 EG Annotated Bother C=C[C@]1(C)C=C2[C@@H](O)C[C@H]3C(C)(C)CCC[C@]3(C(=O)O)[C@@]2(O)CC1 ZINC000073219349 EG Annotated Mild CCc1ccn2c3c(c(C(=O)OC)c2c1)C(=O)c1ccccc1C3=O ZINC000073220798 EG Annotated Clean Oc1cc2c(cc1O)[C@H]1c3cc(C(F)(F)F)ccc3CN[C@@H]1CO2 ZINC000073221140 EG Annotated Clean CCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)C(C)=C(C)C2=O ZINC000073222964 EG Annotated Mild COCO[C@@H](c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000073223892 EG Annotated Anodyne COc1cc(O)ccc1/C=C/C(=O)OCCCc1ccc(O)cc1 ZINC000073224530 EG Annotated Anodyne O=S(=O)(c1ccc(F)cc1)c1ccc2c3c(oc2c1)CNCC3 ZINC000073224738 EG Annotated Anodyne CCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)c1ccccc1C2=O ZINC000073240438 EG Annotated Clean [N-]=[N+]=N[C@@]1(Cc2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O ZINC000073258601 EG Annotated Clean [N-]=[N+]=N[C@]1(Cc2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O ZINC000073258603 EG Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O ZINC000073258910 EG Annotated Mild C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O ZINC000073258911 EG Annotated Mild O/N=C/C1=NCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073276078 EG Annotated Mild CO[C@]12OC[C@@H](O)c3c(C)ccc(c31)C1=C(C2=O)C(C)(C)CCC1 ZINC000073279990 EG Annotated Mild CC(=O)c1c(NNc2ccc(Br)cc2)cc(C)oc1=O ZINC000073280498 EG Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2C[C@]12CCC/C=C/CO2 ZINC000073292305 EG Annotated Anodyne Oc1ccc(-n2nnc3ccc(NCc4ccc(F)cc4)nc32)cc1 ZINC000073293724 EG Annotated Anodyne CC1=C2C(=O)c3ccccc3C(=O)[C@H]2C[C@@H](N2CCCCCC2=O)O1 ZINC000073294500 EG Annotated Mild O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)[C@H]1C[C@H]1c1ccccc1 ZINC000073294580 EG Annotated Anodyne O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)[C@H]1C[C@@H]1c1ccccc1 ZINC000073294581 EG Annotated Anodyne O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)[C@@H]1C[C@@H]1c1ccccc1 ZINC000073294584 EG Annotated Anodyne Cc1[nH]c(=O)nc(-c2cccc(O)c2)c1C(=O)OCC1CCCCC1 ZINC000073295362 EG Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O ZINC000073298908 EG Annotated Mild CC(C)c1cc(NCCO)nc(-c2ccc(Br)cc2)n1 ZINC000073311589 EG Annotated Anodyne OCCNc1cc(C(F)F)nc(-c2ccc(Br)cc2)n1 ZINC000073311592 EG Annotated Anodyne Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)nc2c1C ZINC000073313231 EG Annotated Reactive N#Cc1ccc(Nc2nc(Cc3c(F)cccc3F)cc(=O)[nH]2)cc1 ZINC000073313799 EG Annotated Mild O=C1C(Cl)=C(Cl)C(=O)C(CCNc2nccs2)=C1Cl ZINC000073333221 EG Annotated Mild CC1(C)CO[C@H]2[C@@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)N21 ZINC000073352885 EG Annotated Anodyne CC1(C)CO[C@@H]2[C@@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)N21 ZINC000073352886 EG Annotated Anodyne CC1(C)CO[C@H]2[C@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)N21 ZINC000073352890 EG Annotated Anodyne CC1(C)CO[C@@H]2[C@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)N21 ZINC000073352892 EG Annotated Anodyne N=NCC(=O)OC(COCc1ccccc1)COCc1ccccc1 ZINC000073369420 EG Annotated Clean CCOC1=C2N=C(Cc3ccc(F)cc3)N[C@@H]2C(=O)c2ccccc21 ZINC000073374632 EG Annotated Anodyne COc1ccc(N)c(C2=NN(C(=O)C3CCCC3)C(C)(C)S2)c1 ZINC000073387356 EG Annotated Anodyne Cc1ccccc1C1=N[C@@](C)(CC(=O)NCc2ccccc2)ON1C ZINC000074373209 EG Annotated Anodyne Cc1ccccc1C1=N[C@](C)(CC(=O)NCc2ccccc2)ON1C ZINC000074373213 EG Annotated Anodyne CN1O[C@@](C)(CC(=O)N(C)c2ccccc2)N=C1c1ccccc1F ZINC000074373375 EG Annotated Anodyne CN1O[C@](C)(CC(=O)N(C)c2ccccc2)N=C1c1ccccc1F ZINC000074373379 EG Annotated Anodyne CN1O[C@@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccccc1 ZINC000074373392 EG Annotated Anodyne CN1O[C@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccccc1 ZINC000074373395 EG Annotated Anodyne Cc1ccccc1C1=N[C@@](C)(CC(=O)Nc2cccc(O)c2)ON1C ZINC000074373398 EG Annotated Anodyne Cc1ccccc1C1=N[C@](C)(CC(=O)Nc2cccc(O)c2)ON1C ZINC000074373401 EG Annotated Anodyne CC(C)NC(=O)C[C@]1(C)N=C(c2cccc3ccccc23)N(C)O1 ZINC000074373422 EG Annotated Anodyne CC(C)NC(=O)C[C@@]1(C)N=C(c2cccc3ccccc23)N(C)O1 ZINC000074373426 EG Annotated Anodyne CN1O[C@@](C)(CC(=O)Nc2ccccc2)N=C1c1ccccc1F ZINC000074373597 EG Annotated Anodyne CN1O[C@](C)(CC(=O)Nc2ccccc2)N=C1c1ccccc1F ZINC000074373600 EG Annotated Anodyne CN1O[C@@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccccc1F ZINC000074373604 EG Annotated Anodyne CN1O[C@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccccc1F ZINC000074373606 EG Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)N=C(c3cccnc3)N(C)O2)cc1C ZINC000074374306 EG Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)N=C(c3cccnc3)N(C)O2)cc1C ZINC000074374309 EG Annotated Anodyne CCCNC(=O)C[C@]1(C)N=C(c2cccc3ccccc23)N(C)O1 ZINC000074374370 EG Annotated Anodyne CCCNC(=O)C[C@@]1(C)N=C(c2cccc3ccccc23)N(C)O1 ZINC000074374376 EG Annotated Anodyne CCN(CC)C(=O)C[C@]1(C)N=C(c2cccc3ccccc23)N(C)O1 ZINC000074374388 EG Annotated Anodyne CCN(CC)C(=O)C[C@@]1(C)N=C(c2cccc3ccccc23)N(C)O1 ZINC000074374395 EG Annotated Anodyne CN1O[C@@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccccc1 ZINC000074374561 EG Annotated Anodyne CN1O[C@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccccc1 ZINC000074374565 EG Annotated Anodyne COC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3C(C)C)c1 ZINC000074374846 EG Annotated Anodyne COCCN1C(=O)COCc2cc(-c3cc(F)cc(F)c3)ccc21 ZINC000074374918 EG Annotated Anodyne CCCN1C(=O)COCc2cc(-c3cccc(C(=O)OC)c3)ccc21 ZINC000074374928 EG Annotated Anodyne COCCN1C(=O)COCc2cc(-c3ccc(F)cc3OC)ccc21 ZINC000074375046 EG Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3cc(F)cc(F)c3)cc21 ZINC000074375085 EG Annotated Anodyne CC(C)N1C(=O)COCc2ccc(-c3ccc4c(c3)OCO4)cc21 ZINC000074375134 EG Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3ccc(F)cc3OC)cc21 ZINC000074375260 EG Annotated Anodyne O=C1COCc2cc(-c3ccc4c(c3)OCO4)ccc2N1CC1CC1 ZINC000074375381 EG Annotated Anodyne COCCN1C(=O)COCc2cc(-c3cccc(COC)c3)ccc21 ZINC000074375496 EG Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3cccc(COC)c3)cc21 ZINC000074375566 EG Annotated Anodyne Cc1ccc(CN2C(=O)COCc3cc(-c4cnn(C)c4)ccc32)cc1 ZINC000074375892 EG Annotated Anodyne COC(=O)c1cccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)c1 ZINC000074375922 EG Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)NC3CCCCC3)C[C@H]12 ZINC000074377196 EG Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NC3CCCCC3)C[C@H]12 ZINC000074377199 EG Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)NC3CCCCC3)C[C@@H]12 ZINC000074377202 EG Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NC3CCCCC3)C[C@@H]12 ZINC000074377208 EG Annotated Anodyne Cc1cccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000074377792 EG Annotated Anodyne Cc1cccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000074377796 EG Annotated Anodyne Cc1cccc(C(=O)N2C[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2)c1C ZINC000074377800 EG Annotated Anodyne Cc1cccc(C(=O)N2C[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000074377805 EG Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@H]12 ZINC000074377860 EG Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@H]12 ZINC000074377864 EG Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]12 ZINC000074377867 EG Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]12 ZINC000074377871 EG Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000074378058 EG Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000074378061 EG Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000074378065 EG Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000074378069 EG Annotated Anodyne Cc1ccc(F)cc1C(=O)N1C[C@@H]2ON=C(c3ccccc3C)[C@H]2C1 ZINC000074378771 EG Annotated Anodyne Cc1ccc(F)cc1C(=O)N1C[C@H]2ON=C(c3ccccc3C)[C@H]2C1 ZINC000074378775 EG Annotated Anodyne Cc1ccc(F)cc1C(=O)N1C[C@H]2C(c3ccccc3C)=NO[C@H]2C1 ZINC000074378784 EG Annotated Anodyne Cc1ccc(F)cc1C(=O)N1C[C@H]2ON=C(c3ccccc3C)[C@@H]2C1 ZINC000074378786 EG Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000074379188 EG Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000074379195 EG Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 ZINC000074379198 EG Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000074379201 EG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)n1 ZINC000074379405 EG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)n1 ZINC000074379409 EG Annotated Anodyne Cc1ccc(F)c(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1F ZINC000074379458 EG Annotated Anodyne Cc1ccc(F)c(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1F ZINC000074379462 EG Annotated Anodyne Cc1ccc(F)c(C(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1F ZINC000074379466 EG Annotated Anodyne Cc1ccc(F)c(C(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1F ZINC000074379468 EG Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)CCc3ccccc3)C[C@H]12 ZINC000074379533 EG Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)CCc3ccccc3)C[C@H]12 ZINC000074379538 EG Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)CCc3ccccc3)C[C@@H]12 ZINC000074379542 EG Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]12 ZINC000074379547 EG Annotated Anodyne Cc1cccc(Cc2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)c1 ZINC000074386091 EG Annotated Anodyne CC(C)[C@@H](CO)Nc1nccc2[nH]c(-c3ccc(F)c(F)c3)nc12 ZINC000074386217 EG Annotated Anodyne CC(C)[C@H](CO)Nc1nccc2[nH]c(-c3ccc(F)c(F)c3)nc12 ZINC000074386618 EG Annotated Anodyne COCCCNc1nccc2[nH]c(-c3cccc(OC)c3F)nc12 ZINC000074386735 EG Annotated Anodyne COc1ccccc1-c1nc2ccc(/N=C(\O)c3cccnc3)cn2n1 ZINC000074387195 EG Annotated Mild O/C(=N\c1ccc2nc(Cc3ccccc3)nn2c1)NCc1ccco1 ZINC000074387221 EG Annotated Mild COc1cccc(-c2nc3ccc(/N=C(\O)c4cccnc4)cn3n2)c1 ZINC000074387230 EG Annotated Mild COc1cccc(-c2nc3ccc(/N=C(\O)c4ccccn4)cn3n2)c1 ZINC000074387281 EG Annotated Mild COc1ccc(-c2ccc3nnc(-c4ccncc4)n3c2)cc1OC ZINC000074387416 EG Annotated Anodyne Cc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccccn3)cn2)cc1 ZINC000074387482 EG Annotated Anodyne CCCCNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1 ZINC000074387587 EG Annotated Anodyne Cc1cnc(C)c(-c2cnn(C(C)(C)C(=O)NCc3ccccc3)c2)n1 ZINC000074387605 EG Annotated Anodyne COc1ccc(-c2cnn(C(C)(C)C(=O)NCC(C)C)c2)cc1OC ZINC000074387647 EG Annotated Anodyne CC(C)(C(=O)NCc1cccs1)n1cc(-c2ccccn2)cn1 ZINC000074387690 EG Annotated Anodyne CN(C)c1cccc(Nc2nccn3c(Br)cnc23)c1 ZINC000074387968 EG Annotated Anodyne COc1cccc(/C(O)=N/c2nc3ccc(Br)cn3n2)c1 ZINC000074387998 EG Annotated Mild O/C(COc1ccccc1)=N\c1nc2cccc(Br)n2n1 ZINC000074388026 EG Annotated Mild COc1cccc(C/N=C(\O)CSc2nnc(C)n2C2CC2)c1 ZINC000007617504 EG Annotated Mild COc1ccc(/C=C2\COc3ccccc3C2=O)c(OC)c1OC ZINC000007747088 EG Annotated Mild COc1ccc2cc([C@H](C)C(=O)NC3CCC(O)CC3)ccc2c1 ZINC000007984778 EG Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)NC3CCC(O)CC3)ccc2c1 ZINC000007984781 EG Annotated Anodyne CCCn1c(C)nc2c(NCCCCN(CC)CC)nc(C)nc21 ZINC000007991886 EG Annotated Anodyne C/C=C/OC(=O)N[C@H](c1ccccc1)[C@@]1(C(=O)OCC)CCCC1=O ZINC000007992487 EG Annotated Anodyne C/C=C/OC(=O)N[C@@H](c1ccccc1)[C@@]1(C(=O)OCC)CCCC1=O ZINC000007992488 EG Annotated Anodyne CC(C)C[C@]1(C(=O)NCC2CC2)C=CCN1C(=O)c1ccccc1 ZINC000007992726 EG Annotated Anodyne CC(C)C[C@@]1(C(=O)NCC2CC2)C=CCN1C(=O)c1ccccc1 ZINC000007992727 EG Annotated Anodyne COC(=O)[C@@]1(C)C=C[C@@H](Cc2ccccc2)N1C(=O)c1ccccc1 ZINC000007992765 EG Annotated Anodyne CC(=O)N1C2(C=C[C@@]1(C)C(=O)NCc1ccc(C)o1)CCCCC2 ZINC000007992789 EG Annotated Anodyne CC(=O)N1C2(C=C[C@]1(C)C(=O)NCc1ccc(C)o1)CCCCC2 ZINC000007992790 EG Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O)c1 ZINC000007998526 EG Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000007999743 EG Annotated Anodyne COc1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 ZINC000075201436 EG Annotated Anodyne COc1ccc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 ZINC000075201437 EG Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccccc2F)cc1 ZINC000075402908 EG Annotated Anodyne O=C1[C@@H]2CCCN2[C@@H](c2c(F)cccc2Cl)N1c1nccs1 ZINC000075402995 EG Annotated Anodyne COc1ccccc1[C@H]1N(c2ccc(F)cc2)C(=O)[C@@H]2CCCN21 ZINC000075403019 EG Annotated Anodyne COc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1 ZINC000077678402 EG Annotated Anodyne Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1ccccc1F ZINC000008042239 EG Annotated Anodyne CC(C)C(=O)N1CCC(C/N=C/C2=C(O)CC(C)(C)CC2=O)CC1 ZINC000008310478 EG Annotated Mild Cc1ccc(SCCC(=O)NNC(=O)c2ccccc2F)cc1 ZINC000008427851 EG Annotated Reactive C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H]4CCCO4)[C@H]3C=C12 ZINC000082051235 EG Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNC[C@@H]4CCCO4)[C@H]3C=C12 ZINC000082051237 EG Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@H]4CCCO4)[C@H]3C=C12 ZINC000082051239 EG Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNC[C@H]4CCCO4)[C@H]3C=C12 ZINC000082051241 EG Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@H](C)C4)[C@H]3C[C@H]12 ZINC000082051453 EG Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@@H](C)C4)[C@H]3C[C@H]12 ZINC000082051454 EG Annotated Mild CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)CC1 ZINC000082052037 EG Annotated Anodyne CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)CC1 ZINC000082052043 EG Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccncc4)[C@H]3C[C@H]12 ZINC000082052835 EG Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccncc4)[C@H]3C[C@H]12 ZINC000082052837 EG Annotated Mild C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@H]3O[C@]132 ZINC000082052949 EG Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H]4CCCO4)[C@H]3C[C@@H]12 ZINC000082052981 EG Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H]4CCCO4)[C@H]3C[C@H]12 ZINC000082052984 EG Annotated Mild Cc1c(C#N)c2nc3nonc3nc2n1-c1cccc(C(F)(F)F)c1 ZINC000082053390 EG Annotated Mild Brc1ccccc1-c1nnc2ccc(-n3cccc3)nn12 ZINC000082060502 EG Annotated Anodyne Brc1cccc(-c2nnc3ccc(-n4cccc4)nn23)c1 ZINC000082060538 EG Annotated Anodyne Brc1ccc(-c2nnc3ccc(-n4cccc4)nn23)cc1 ZINC000082060585 EG Annotated Anodyne O=C(O)[C@@H](Nc1nc(Cl)ncc1Br)c1ccccc1 ZINC000082060729 EG Annotated Anodyne O=C(O)[C@H](Nc1nc(Cl)ncc1Br)c1ccccc1 ZINC000082060750 EG Annotated Anodyne N#CCNC(=O)[C@@H]1CCCC[C@@H]1CSc1nc2ccccc2o1 ZINC000082064365 EG Annotated Mild OCCN(Cc1ccccc1)c1cc(Oc2cccc(F)c2)ncn1 ZINC000082067347 EG Annotated Anodyne OCCN(Cc1ccccc1)c1cc(Oc2ccc(F)cc2)ncn1 ZINC000082067348 EG Annotated Anodyne OCCN(Cc1ccccc1)c1cc(Oc2ccccc2F)ncn1 ZINC000082067364 EG Annotated Anodyne CC(=O)Nc1cccc(Oc2cc(NCCc3ccccn3)ncn2)c1 ZINC000082067724 EG Annotated Anodyne COc1cc(OC)cc(Oc2cc(NCc3cccnc3)ncn2)c1 ZINC000082068280 EG Annotated Anodyne COc1ccccc1Oc1cncc(NCCCC(C)(C)CO)n1 ZINC000082068512 EG Annotated Anodyne c1ccc(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)cc1 ZINC000082068700 EG Annotated Anodyne c1coc(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)c1 ZINC000082068745 EG Annotated Anodyne CCCCNC(=O)c1ccc(CNC(=O)c2csc(CC)n2)cc1 ZINC000082069820 EG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)O)C(C)C)cs1 ZINC000082070074 EG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)O)C(C)C)cs1 ZINC000082070075 EG Annotated Anodyne CCc1nc(C(=O)N[C@@H](C)C(=O)OCCC2CCCCC2)cs1 ZINC000082070874 EG Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)OCCC2CCCCC2)cs1 ZINC000082070875 EG Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)OCCC2CCCCC2)cs1 ZINC000082074065 EG Annotated Anodyne C/N=c1\[nH]c2cnc(-c3ccc(CO)cc3)cc2n1Cc1ccccc1 ZINC000082078104 EG Annotated Anodyne O[C@H](c1ccc2c(c1)OCO2)c1nnc(Nc2ccccc2)s1 ZINC000082078750 EG Annotated Anodyne O[C@@H](c1ccc2c(c1)OCO2)c1nnc(Nc2ccccc2)s1 ZINC000082078752 EG Annotated Anodyne O[C@@H](c1ccc(F)c(Cl)c1)c1nnc(N2CCCCC2)s1 ZINC000082079119 EG Annotated Anodyne O[C@H](c1ccc(F)c(Cl)c1)c1nnc(N2CCCCC2)s1 ZINC000082079120 EG Annotated Anodyne O=C(O)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 ZINC000082081719 EG Annotated Anodyne CCCCNC(=O)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C ZINC000082082366 EG Annotated Anodyne CCCCNC(=O)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C ZINC000082082367 EG Annotated Anodyne NC(=O)c1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1 ZINC000082082843 EG Annotated Anodyne C/N=c1\[nH]c2cnc(Nc3ccc(SC)cc3)cc2n1CCOC ZINC000082083065 EG Annotated Anodyne C/N=c1\[nH]c2cnc(Nc3ccc(OC)cc3)cc2n1Cc1ccco1 ZINC000082083315 EG Annotated Anodyne C/N=c1\[nH]c2cnc(Nc3ccc(F)cc3)cc2n1Cc1ccco1 ZINC000082083410 EG Annotated Anodyne C[C@H](/C(O)=N/C1CC1)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O ZINC000082083659 EG Annotated Mild COc1cccc(CNC(=O)c2coc(-c3cccs3)n2)c1OC ZINC000082086269 EG Annotated Anodyne O=C(NCc1ccco1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086281 EG Annotated Bother CCC#CCOC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082086398 EG Annotated Mild CN(C)C(C)(C)COC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086424 EG Annotated Bother CN(C)CCCCOC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086425 EG Annotated Bother CC(=O)O[C@H]1CC[C@H](C)[C@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@H]12 ZINC000082123276 EG Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 ZINC000082132600 EG Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 ZINC000082133538 EG Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1 ZINC000082134063 EG Annotated Anodyne CCN(C)c1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1 ZINC000082139461 EG Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1 ZINC000082141023 EG Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccc(F)cc1 ZINC000082141199 EG Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccc(F)cc1 ZINC000082141201 EG Annotated Anodyne CCN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 ZINC000082141360 EG Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 ZINC000082141566 EG Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccco1 ZINC000082141919 EG Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 ZINC000082141927 EG Annotated Anodyne CC1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)CC1 ZINC000082142535 EG Annotated Anodyne CCN(C)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccco1 ZINC000082142889 EG Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082143098 EG Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 ZINC000082143101 EG Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082143103 EG Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 ZINC000082143106 EG Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1cccc(C)c1 ZINC000082146970 EG Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1cccc(C)c1 ZINC000082146975 EG Annotated Anodyne O=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)n[nH]1 ZINC000082152222 EG Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F ZINC000082152230 EG Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F ZINC000082152232 EG Annotated Anodyne O=c1[nH]c2ncc(-c3ccc4[nH]cnc4c3)nc2n1CC1CCCCC1 ZINC000082152532 EG Annotated Anodyne CC(C)=CC(=O)[C@@H](O)/C(C)=C/CC[C@](C)(O)[C@@H]1CCC(C)=CC1=O ZINC000082152585 EG Annotated Mild CC(C)=CC(=O)[C@H](O)/C(C)=C/CC[C@](C)(O)[C@H]1CCC(C)=CC1=O ZINC000082152588 EG Annotated Mild CCN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1 ZINC000082152703 EG Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccccc1F ZINC000082152818 EG Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccccc1F ZINC000082152821 EG Annotated Anodyne CN(C)Cc1cc(/C=C/c2ccc(O)c(CN(C)C)c2)ccc1O ZINC000082152935 EG Annotated Clean CCN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F ZINC000082153231 EG Annotated Anodyne CCCCNC(=O)c1cnc(N(C)CC)nc1-c1ccc(C#N)cc1 ZINC000082154469 EG Annotated Mild Cc1cc(Cl)cc2c([C@H](O)c3ncco3)c3c(C)n[nH]c3nc12 ZINC000082155069 EG Annotated Anodyne Cc1cc(Cl)cc2c([C@@H](O)c3ncco3)c3c(C)n[nH]c3nc12 ZINC000082155073 EG Annotated Anodyne CN(Cc1cn(C[C@H](O)c2ccccc2)nn1)CC1CCCCC1 ZINC000082156955 EG Annotated Anodyne CN(Cc1cn(C[C@@H](O)c2ccccc2)nn1)CC1CCCCC1 ZINC000082156957 EG Annotated Anodyne CC(C)C(=O)OCc1ccccc1COC(=O)Nc1ccncc1N ZINC000082157386 EG Annotated Anodyne C=C[C@]1(C)C=C(C=O)[C@@]2(CC1)OC(=O)[C@H]1C(C)(C)CCC[C@@]12C(=O)O ZINC000082157942 EG Annotated Reactive COc1ccc([C@H]2SCC(=O)Nc3ccc4[nH]ncc4c32)cc1 ZINC000082158127 EG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)Nc3ccc4[nH]ncc4c32)cc1 ZINC000082158128 EG Annotated Anodyne Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cncc(CO)c1 ZINC000082158272 EG Annotated Mild CC[C@@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccc(C#N)cc2)n1 ZINC000082159601 EG Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccc(C#N)cc2)n1 ZINC000082159602 EG Annotated Mild CCOC(=O)C[C@@H](C)Nc1cc(-c2cc(F)ccc2OC)ncn1 ZINC000082160276 EG Annotated Anodyne CCOC(=O)C[C@H](C)Nc1cc(-c2cc(F)ccc2OC)ncn1 ZINC000082160277 EG Annotated Anodyne CCOCCCNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 ZINC000082160354 EG Annotated Anodyne CCSCCNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 ZINC000082161585 EG Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1cc(-c2cccc(C(C)=O)c2)ncn1 ZINC000082161790 EG Annotated Anodyne CCOC(=O)C[C@H](C)Nc1cc(-c2cccc(C(C)=O)c2)ncn1 ZINC000082161793 EG Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000082162010 EG Annotated Bother CCOC(=O)C[C@H](C)Nc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000082162012 EG Annotated Bother COc1ccc(OC)c(-c2cc(NCCCOC(C)C)ncn2)c1 ZINC000082162260 EG Annotated Anodyne Cc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2)o1 ZINC000082163034 EG Annotated Anodyne CCN(C)c1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163969 EG Annotated Bother Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)o1 ZINC000082164507 EG Annotated Anodyne COCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082165021 EG Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccco2)n1 ZINC000082165353 EG Annotated Anodyne CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccco2)s1 ZINC000082165761 EG Annotated Anodyne Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccco2)sc1C ZINC000082165764 EG Annotated Anodyne CCc1cnc(-c2cnc(NCCOC)nc2-c2ccco2)s1 ZINC000082166294 EG Annotated Anodyne CCN(C)c1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174920 EG Annotated Bother Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)o1 ZINC000082175648 EG Annotated Anodyne COCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 ZINC000082176099 EG Annotated Anodyne Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccccc2C)o1 ZINC000082177413 EG Annotated Anodyne COCCn1c(-c2ccsc2)nc2c(NCC(C)C)ncnc21 ZINC000082177962 EG Annotated Anodyne COCCn1c(-c2cccs2)nc2c(NCC(C)C)ncnc21 ZINC000082178033 EG Annotated Anodyne CCCc1nc2c(NCC(C)C)ncnc2n1CCN1CCCCC1 ZINC000082178141 EG Annotated Anodyne CCCc1nc2c(NCC(C)C)ncnc2n1CCc1ccccn1 ZINC000082178145 EG Annotated Anodyne CCCc1nc2c(NCC(C)C)ncnc2n1CC[C@@H]1CCCN1C ZINC000082178148 EG Annotated Anodyne CCCc1nc2c(NCC(C)C)ncnc2n1CC[C@H]1CCCN1C ZINC000082178149 EG Annotated Anodyne CC(C)CNc1ncnc2c1nc(C1CC1)n2CCN1CCCCC1 ZINC000082178173 EG Annotated Anodyne CC(C)CNc1ncnc2c1nc(C1CC1)n2CCc1ccccn1 ZINC000082178177 EG Annotated Anodyne CC(C)CNc1ncnc2c1nc(C1CC1)n2CC[C@@H]1CCCN1C ZINC000082178180 EG Annotated Anodyne CC(C)CNc1ncnc2c1nc(C1CC1)n2CC[C@H]1CCCN1C ZINC000082178181 EG Annotated Anodyne COCCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178400 EG Annotated Anodyne CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CCOC ZINC000082179363 EG Annotated Anodyne COCCn1c(C2CC2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179391 EG Annotated Anodyne CCCc1nc2c(NCc3ccccc3C)ncnc2n1CCOC ZINC000082180472 EG Annotated Anodyne COCCn1c(C2CC2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180520 EG Annotated Anodyne COCCn1c(C2CCCCC2)nc2c(NCC3CC3)ncnc21 ZINC000082180648 EG Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000082184723 EG Annotated Anodyne CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000082184726 EG Annotated Anodyne COCCn1c(C2CC2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082186037 EG Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCC3CC3)ncnc21 ZINC000082186283 EG Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCC3CC3)ncnc21 ZINC000082186285 EG Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CCOC ZINC000082186291 EG Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCOC ZINC000082186408 EG Annotated Anodyne CC(C)NC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 ZINC000082192343 EG Annotated Anodyne Cc1cnc(N(C)CCN(C)C)nc1Nc1ccc2c(c1)CCC2 ZINC000082202318 EG Annotated Anodyne Cc1cnc(N2CCSCC2)nc1NCCc1ccc(F)cc1 ZINC000082202358 EG Annotated Anodyne Cc1cnc(N2CCSCC2)nc1NCCc1cccc(F)c1 ZINC000082202359 EG Annotated Anodyne Cc1cnc(N2CCCN(C)CC2)nc1Nc1ccc2c(c1)CCC2 ZINC000082202370 EG Annotated Anodyne Cc1cnc(N2CCCN(C)CC2)nc1N[C@@H](C)c1ccc(F)cc1 ZINC000082202383 EG Annotated Anodyne Cc1cnc(N2CCCN(C)CC2)nc1N[C@H](C)c1ccc(F)cc1 ZINC000082202384 EG Annotated Anodyne CCN1CCN(c2ncc(C)c(Nc3ccc4c(c3)CCC4)n2)CC1 ZINC000082202390 EG Annotated Anodyne CCOc1ccc(CCNc2nc(N3CCCC3)ncc2C)cc1 ZINC000082202440 EG Annotated Anodyne COc1ccc(CCNc2nc(N3CCC[C@@H]3C)ncc2C)cc1 ZINC000082202463 EG Annotated Anodyne COc1ccc(CCNc2nc(N3CCC[C@H]3C)ncc2C)cc1 ZINC000082202465 EG Annotated Anodyne Cc1cnc(N2CCN(C)CC2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000082202527 EG Annotated Anodyne Cc1cnc(N2CCN(C)CC2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000082202529 EG Annotated Anodyne Cc1cnc(N2CCN(C)CC2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000082202531 EG Annotated Anodyne Cc1cnc(N2CCN(C)CC2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000082202534 EG Annotated Anodyne Cc1cnc(N(C)CCN(C)C)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000082202565 EG Annotated Anodyne Cc1cnc(N(C)CCN(C)C)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000082202567 EG Annotated Anodyne Cc1cnc(N(C)CCN(C)C)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000082202568 EG Annotated Anodyne Cc1cnc(N(C)CCN(C)C)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000082202569 EG Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N2CCCC2)ncc1C ZINC000082202707 EG Annotated Anodyne COc1cccc(CNc2nc(N3CCC[C@@H]3C)ncc2C)c1OC ZINC000082202711 EG Annotated Anodyne COc1cccc(CNc2nc(N3CCC[C@H]3C)ncc2C)c1OC ZINC000082202714 EG Annotated Anodyne COc1cc(CNc2nc(N3CCC[C@@H]3C)ncc2C)cc(OC)c1 ZINC000082202715 EG Annotated Anodyne COc1cc(CNc2nc(N3CCC[C@H]3C)ncc2C)cc(OC)c1 ZINC000082202716 EG Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N2CCC[C@@H]2C)ncc1C ZINC000082202745 EG Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N2CCC[C@H]2C)ncc1C ZINC000082202746 EG Annotated Anodyne Cc1cnc(N2CCC[C@@H]2C)nc1NCc1ccc(N(C)C)cc1 ZINC000082202749 EG Annotated Clean Cc1cnc(N2CCC[C@H]2C)nc1NCc1ccc(N(C)C)cc1 ZINC000082202751 EG Annotated Clean Cc1cnc(N2CCSCC2)nc1NCc1ccc(N(C)C)cc1 ZINC000082202834 EG Annotated Clean CCC(CC)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082203074 EG Annotated Anodyne CCC[C@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082203323 EG Annotated Anodyne Cc1ccc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc1 ZINC000082203434 EG Annotated Anodyne Cc1ccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc1 ZINC000082203436 EG Annotated Anodyne Cc1ccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc1 ZINC000082203439 EG Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1ccccc1F ZINC000082203441 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1ccccc1F ZINC000082203443 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1cccc(F)c1 ZINC000082203445 EG Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1cccc(F)c1 ZINC000082203447 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1cccc(F)c1 ZINC000082203449 EG Annotated Anodyne COc1ccccc1CNc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C ZINC000082203638 EG Annotated Anodyne COc1ccccc1CNc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C ZINC000082203640 EG Annotated Anodyne COc1ccccc1CNc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C ZINC000082203643 EG Annotated Anodyne COc1ccc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc1 ZINC000082203645 EG Annotated Anodyne COc1ccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc1 ZINC000082203646 EG Annotated Anodyne COc1ccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc1 ZINC000082203649 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCc1ccc(F)cc1 ZINC000082203663 EG Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCc1ccc(F)cc1 ZINC000082203666 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCc1ccc(F)cc1 ZINC000082203667 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCc1cccc(F)c1 ZINC000082203669 EG Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCc1cccc(F)c1 ZINC000082203671 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCc1cccc(F)c1 ZINC000082203673 EG Annotated Anodyne CCCn1c(=O)c(NCC(CC)CC)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205841 EG Annotated Anodyne CCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205844 EG Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(C(C)C)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205888 EG Annotated Anodyne CC(C)n1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205892 EG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206528 EG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206530 EG Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](C)CN2 ZINC000082211824 EG Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](C)CN2 ZINC000082211827 EG Annotated Anodyne CCC[C@@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082212886 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1ccc(F)cc1 ZINC000082212887 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1ccccc1F ZINC000082212888 EG Annotated Anodyne CCCCCNc1ncnc2c1nc(C1CC1)n2C[C@@H]1CCCO1 ZINC000082222753 EG Annotated Anodyne CCCCCNc1ncnc2c1nc(C1CC1)n2C[C@H]1CCCO1 ZINC000082222754 EG Annotated Anodyne Cc1cccc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)c1 ZINC000082223983 EG Annotated Anodyne Cc1cccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)c1 ZINC000082223985 EG Annotated Anodyne Cc1cccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)c1 ZINC000082223986 EG Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1ccc(F)cc1 ZINC000082223993 EG Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1ccc(F)cc1 ZINC000082223994 EG Annotated Anodyne C[C@H]1CN(Cc2cn3c(-c4ccccc4)nnc3s2)C[C@@H](C)O1 ZINC000082230267 EG Annotated Anodyne C[C@H]1CN(Cc2cn3c(-c4ccccc4)nnc3s2)C[C@H](C)O1 ZINC000082230268 EG Annotated Anodyne C[C@@H]1CN(Cc2cn3c(-c4ccccc4)nnc3s2)C[C@@H](C)O1 ZINC000082230269 EG Annotated Anodyne O=[N+]([O-])c1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 ZINC000082230761 EG Annotated Bother O=[N+]([O-])c1ccc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1 ZINC000082230762 EG Annotated Bother C[C@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000082231646 EG Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000082231647 EG Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000082231648 EG Annotated Anodyne CC[C@@H](C)c1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O ZINC000082231694 EG Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O ZINC000082231695 EG Annotated Anodyne CC(C)Cc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O ZINC000082231708 EG Annotated Anodyne CCCCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O ZINC000082231729 EG Annotated Anodyne Cc1cc(C)n2c(CNCc3ccc(OC(F)F)cc3)cnc2n1 ZINC000084105373 EG Annotated Anodyne COc1ccc([C@H]2Cc3cc(CCCO)cc(OC)c3O2)cc1OC ZINC000084154134 EG Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@H]1C)CO3 ZINC000084154419 EG Annotated Anodyne in-vitro biogenic C[C@H]1[C@H](C)Cc2ccc3c(c2[C@]1(O)c1ccc2c(c1)OCO2)OCO3 ZINC000084154427 EG Annotated Anodyne in-vitro biogenic O=C1CCCC(O)=C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000084367273 EG Annotated Mild C=C[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000084402312 EG Annotated Mild O=C(O)c1cn2c(n1)N=[S@@](=O)(c1ccccc1)c1ccccc1-2 ZINC000084428708 EG Annotated Anodyne O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2CCSc3cccc1c32 ZINC000084462584 EG Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@]12CCCCC2=O ZINC000084540950 EG Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@]12CCCCC2=O ZINC000084540951 EG Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@@]12CCCCC2=O ZINC000084540952 EG Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@@]12CCCCC2=O ZINC000084540953 EG Annotated Anodyne O=C1NCC2(CCCCC2)c2sc(-c3ncnc4nc[nH]c34)cc21 ZINC000084587989 EG Annotated Anodyne Cc1nc2c(N(C)C)cccc2n1-c1ccc(C(=O)NC2CC2)s1 ZINC000084597087 EG Annotated Anodyne COc1cccc2c1nc(C)n2-c1ccc(C(=O)NC2CC2)s1 ZINC000084602243 EG Annotated Anodyne CN(C)c1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1 ZINC000084602805 EG Annotated Anodyne Cc1nn(-c2ccc3c(N)ncnc3c2F)c2c1C(=O)CC(C)(C)C2 ZINC000084602988 EG Annotated Anodyne N#Cc1cc(C#N)c2nc(O)c3c(-c4ccccc4)csc3n2c1=N ZINC000084603972 EG Annotated Mild CNCCN1CCCCc2cc(/N=C(\N)c3cccs3)ccc21 ZINC000084605007 EG Annotated Mild CC1(C)C[C@H](O)C[C@](C)(CNc2cccc(S(C)(=O)=O)c2)C1 ZINC000084605184 EG Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cn[nH]c1N ZINC000084616036 EG Annotated Mild CCOC(=O)CN/C(S)=N/C(=N/c1ccccc1)c1ccccc1 ZINC000084616052 EG Annotated Mild O=[N+]([O-])c1ccc(/C=N/NC(=S)N2CCCCCCC2)s1 ZINC000084616292 EG Annotated Mild CCOC(=O)c1c[nH]c2ccn3cc(-c4ccccc4)nc3c2c1=O ZINC000084617867 EG Annotated Anodyne CCOC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1C#CC(C)(C)O ZINC000084618848 EG Annotated Mild c1cc(-c2ncn[nH]2)c2nc(N3CCOCC3)c3ccsc3c2c1 ZINC000084619535 EG Annotated Anodyne O=C(NN1C(=O)CCS[C@@H]1c1ccccc1Cl)c1ccncc1 ZINC000084631970 EG Annotated Anodyne O=C(NN1C(=O)CCS[C@H]1c1ccccc1Cl)c1ccncc1 ZINC000084631972 EG Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O ZINC000084632282 EG Annotated Mild COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(F)c3)OC2=S)cc1 ZINC000084635017 EG Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3ccccc3sc2c1 ZINC000084635759 EG Annotated Bother CC[C@@]12CCCN3CC[C@]4(c5cccc(O)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 ZINC000084651908 EG Annotated Anodyne C[C@@H]1CCC[C@@H]1N1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000084652038 EG Annotated Anodyne C[C@H]1CCC[C@@H]1N1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000084652039 EG Annotated Anodyne C[C@@H]1CCC[C@H]1N1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000084652040 EG Annotated Anodyne C[C@H]1CCC[C@H]1N1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC000084652041 EG Annotated Anodyne COC(=O)CCSC/C=C(\C)CCn1cc(CCC(C)C)nn1 ZINC000084652055 EG Annotated Anodyne Cc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ncccc2c1=O ZINC000084653002 EG Annotated Anodyne N#CC1=C(N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000084654632 EG Annotated Reactive N#CC1=C(N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000084654634 EG Annotated Reactive CCC[C@@H]1C[C@H]2OC(=O)c3c(cc4cc(OC)cc(O)c4c3O)[C@H]2O1 ZINC000084655321 EG Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@@H]1C ZINC000084655417 EG Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@H]1C ZINC000084655419 EG Annotated Anodyne O=C1C[C@H](O)Oc2cccc(OCc3ccc(Br)cc3)c21 ZINC000084668982 EG Annotated Anodyne O=C1C[C@@H](O)Oc2cccc(OCc3ccc(Br)cc3)c21 ZINC000084668983 EG Annotated Anodyne CCN(CC)C(=O)C[S@@](=O)C1c2ccccc2-c2ccccc21 ZINC000084670276 EG Annotated Anodyne CCN(CC)C(=O)C[S@](=O)C1c2ccccc2-c2ccccc21 ZINC000084670277 EG Annotated Anodyne O=C1CN(CCCCCN2CCCCC2)c2ccc([N+](=O)[O-])cc2N1 ZINC000084670745 EG Annotated Bother Nc1scc2c(-c3ccccc3)nn(CC(F)(F)F)c(=O)c12 ZINC000084671618 EG Annotated Anodyne Cc1noc(C)c1CC(=O)NCc1ccc(C(F)(F)F)c(F)c1 ZINC000084671774 EG Annotated Anodyne Brc1ccc(Oc2nc3ccsc3c3nnnn23)cc1 ZINC000084672074 EG Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1CCN(C(=O)C2(c3ccccn3)CC2)C1 ZINC000084687128 EG Annotated Anodyne O=S(=O)(NCCF)c1cc(-c2nc3ccccc3s2)cs1 ZINC000084687199 EG Annotated Anodyne CN1CCC(Cn2c(N)nc3ccc(C(=O)c4ccccc4)cc32)CC1 ZINC000084687258 EG Annotated Anodyne Cn1c(=O)c2sc3ccccc3c2c2cc(C3=NCCN3)ccc21 ZINC000084687849 EG Annotated Bother c1cc(Oc2ccnc(N3CCC4(CCNC4)CC3)n2)c2cc[nH]c2c1 ZINC000084687996 EG Annotated Anodyne Cn1c(=O)c2sc3sccc3c2c2cc(C3=NCCN3)ccc21 ZINC000084688181 EG Annotated Bother COc1ccc(C)c2sc(NS(=O)(=O)c3cc(C)ccn3)nc12 ZINC000084688660 EG Annotated Anodyne CC1(C)CCc2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)O1 ZINC000084689612 EG Annotated Clean Cn1c2c(c3ccccc31)/C(=N/OCc1ccccc1)CCNC2=O ZINC000084690008 EG Annotated Mild C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccc[nH]1 ZINC000084690033 EG Annotated Reactive C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccc[nH]1 ZINC000084690034 EG Annotated Reactive [O-][n+]1nn(Cc2ccccc2)c(C(=S)Nc2ccccc2)c1Cl ZINC000084690731 EG Annotated Anodyne CC(C)[C@H]1C(=O)CC2=C(O)C3=C(CO)[C@@H](O)CC[C@@]3(C)CC[C@@]21C ZINC000084690774 EG Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1 ZINC000084690818 EG Annotated Anodyne Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(C)o3)n2c1 ZINC000084703906 EG Annotated Anodyne C=C[C@]1(C)C[C@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O ZINC000084706344 EG Annotated Mild C=C[C@]1(C)C[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O ZINC000084706347 EG Annotated Mild Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CCc1ccccn1 ZINC000084706433 EG Annotated Anodyne NCCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12 ZINC000084706601 EG Annotated Bother Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CCC1CCNCC1 ZINC000084707301 EG Annotated Anodyne O=C(NC[C@@H]1CC2CCN1CC2)Oc1ccc(Br)cc1 ZINC000084709317 EG Annotated Anodyne O=C(NC[C@H]1CC2CCN1CC2)Oc1ccc(Br)cc1 ZINC000084709320 EG Annotated Anodyne CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1C ZINC000084710168 EG Annotated Anodyne O=C(O)c1cn(CCO)c2ccc(-c3cc4ccccc4o3)cc2c1=O ZINC000084710571 EG Annotated Anodyne CC(C)N1CCC[C@@H]1CNC(=O)Oc1ccc(Br)cc1 ZINC000084710831 EG Annotated Anodyne CCC#CCN1CCC[C@H]1COC(=O)c1ccc2ncsc2c1 ZINC000084710832 EG Annotated Mild C/C(=C\CSCCC(=O)O)CCn1cc(CCC(C)C)nn1 ZINC000084712470 EG Annotated Anodyne CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cccs2)c1 ZINC000084712787 EG Annotated Anodyne COc1ccc(-c2nc3ccc(/C(C)=N/O)cc3[nH]2)c(OC)c1OC ZINC000084712832 EG Annotated Mild N#CC1=C(N)OC2=C(C(=O)O[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000084713433 EG Annotated Reactive N#CC1=C(N)OC2=C(C(=O)O[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000084713435 EG Annotated Reactive O=C(NCC1=CC2CCN1CC2)Oc1ccc(Br)cc1 ZINC000084713535 EG Annotated Anodyne O=C(O)c1cn(CCO)c2cc(-c3cc4ccccc4o3)ccc2c1=O ZINC000084713780 EG Annotated Anodyne C/C(=C\CSCCC(=O)O)CCn1cc(Cc2ccccc2)nn1 ZINC000084714785 EG Annotated Anodyne CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1 ZINC000084722742 EG Annotated Anodyne CCOC(=O)CC(=O)c1cccc2sc(Br)nc12 ZINC000084724440 EG Annotated Anodyne COc1cccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c32)c1 ZINC000084725376 EG Annotated Anodyne CCOC(=O)c1cnc2ccc([C@@H](C)O)cc2c1SCCC#N ZINC000084726019 EG Annotated Mild CCOC(=O)c1cnc2ccc([C@H](C)O)cc2c1SCCC#N ZINC000084726020 EG Annotated Mild CC1(C)OC(=O)c2c1ccn(Cc1cccc(C(F)(F)F)c1)c2=O ZINC000084727052 EG Annotated Anodyne Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(Cl)cc2)n1 ZINC000084728124 EG Annotated Anodyne Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CC(=O)NC3)cc1 ZINC000084729725 EG Annotated Anodyne COc1ccc(-c2nc3ccc([C@H](C)O)cc3[nH]2)c(OC)c1OC ZINC000084729993 EG Annotated Anodyne COc1ccc(-c2nc3ccc([C@@H](C)O)cc3[nH]2)c(OC)c1OC ZINC000084729996 EG Annotated Anodyne Cc1n[nH]c(=O)c2c1c1cc(F)ccc1n2Cc1ccc(C#N)cc1 ZINC000084732218 EG Annotated Mild C/C(=C\CSCCC(=O)O)CCn1cc(-c2ccccc2)nn1 ZINC000084733691 EG Annotated Anodyne Fc1cccc(-c2nc(NC[C@H]3COc4ccccc4O3)no2)c1F ZINC000084738897 EG Annotated Anodyne Fc1cccc(-c2nc(NC[C@@H]3COc4ccccc4O3)no2)c1F ZINC000084738900 EG Annotated Anodyne COc1ccc(N2C(=O)CN(Cc3ccccc3)C2=S)cc1Cl ZINC000084740562 EG Annotated Anodyne CCn1c2c(c3ccccc31)C(=O)c1c[n+]([O-])c3ccccc3c1C2=O ZINC000084757561 EG Annotated Clean COc1ccc(-c2ccn(CCC(C)C)c(=O)c2C#N)cc1OC ZINC000084758231 EG Annotated Mild CCOc1ccccc1[C@@H]1N(c2nccs2)C(=O)[C@@H]2CCCN21 ZINC000008548260 EG Annotated Anodyne COc1ccccc1[C@@H]1N(c2ccc(F)cc2)C(=O)[C@@H]2CCCN21 ZINC000008548264 EG Annotated Anodyne CC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)C[S@@](=O)C2 ZINC000008553309 EG Annotated Anodyne N#Cc1c(O)nc(N2CCc3ccccc3C2)nc1-c1ccc(F)cc1 ZINC000008553835 EG Annotated Mild Cc1cc(C(=O)N/N=C\c2ccc(-c3ccccc3Cl)o2)[nH]n1 ZINC000008556262 EG Annotated Reactive Cc1ccc([C@H]2c3c(O)nc(S)nc3N=C3CCCC(=O)[C@H]32)cc1 ZINC000008578618 EG Annotated Anodyne Cn1c(SCc2cc(=O)[nH]c3ccccc23)nnc1-c1ccco1 ZINC000008578810 EG Annotated Anodyne CCN1CCC[C@H]1Cn1cnc2c3c(Cl)cccc3nc-2c1O ZINC000008579732 EG Annotated Anodyne CCN1CCC[C@H]1Cn1cnc2c3cc(Cl)ccc3nc-2c1O ZINC000008580008 EG Annotated Anodyne COc1ccc(S(=O)(=O)O/N=C2/CCCc3ccccc32)cc1 ZINC000008580372 EG Annotated Mild Cc1cccc(/C=N\NC(=O)[C@@H](C)Nc2cccc3ccccc23)n1 ZINC000008581722 EG Annotated Reactive Cc1cccc(/C=N\NC(=O)[C@H](C)Nc2cccc3ccccc23)n1 ZINC000008581723 EG Annotated Reactive CC[C@H]1CCCN1Cn1cnc2c3cc(OC)ccc3nc-2c1O ZINC000008584079 EG Annotated Anodyne CC[C@@H]1CCCN1Cn1cnc2c3cc(OC)ccc3nc-2c1O ZINC000008584080 EG Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@H](O)C2=O ZINC000008585529 EG Annotated Anodyne Cc1cc(-c2nc3c4c5c(sc4nc(O)n3n2)CCC5)c(C)o1 ZINC000008586371 EG Annotated Anodyne CCCO[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000008590475 EG Annotated Anodyne CCCO[C@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000008590477 EG Annotated Anodyne CC(C)NC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 ZINC000008595202 EG Annotated Anodyne CCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 ZINC000008598957 EG Annotated Anodyne CCN1CCC[C@@H]1Cn1cnc2c3cc(Cl)ccc3nc-2c1O ZINC000008606881 EG Annotated Anodyne CCOc1ccc(NC(=O)N(C)CCc2c(C)nn(C)c2C)cc1 ZINC000008609033 EG Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc[nH]2)n2ncnc2N1 ZINC000008609840 EG Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc[nH]2)n2ncnc2N1 ZINC000008609841 EG Annotated Anodyne Cc1ccc(C)c(CNC(=O)c2ccc3c(c2)nc2n3CCOC2)c1 ZINC000008611890 EG Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O)c1 ZINC000008627010 EG Annotated Anodyne O=C(O)c1cccc(-n2cc(-c3cc4ccccc4oc3=O)nc2O)c1 ZINC000008661397 EG Annotated Anodyne CCCCN1C(=O)CN(C2CCCC2)C(=O)[C@H]1c1ccc(F)cc1 ZINC000008661983 EG Annotated Anodyne CCCCN1C(=O)CN(C2CCCC2)C(=O)[C@@H]1c1ccc(F)cc1 ZINC000008661984 EG Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1 ZINC000008665973 EG Annotated Anodyne O=C(NCc1ccco1)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1 ZINC000008665974 EG Annotated Anodyne C=CCNC(=O)c1onc(CSc2cc(C)ccc2C)c1C(=O)O ZINC000008672364 EG Annotated Mild C=CCNC(=O)c1onc(CSc2ccccc2CC)c1C(=O)O ZINC000008672365 EG Annotated Mild C=CCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)O ZINC000008672368 EG Annotated Mild Cc1ccc(C)c(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1 ZINC000008672372 EG Annotated Anodyne C=CCNC(=O)c1onc(CSc2ccc(C)c(C)c2)c1C(=O)O ZINC000008672378 EG Annotated Mild Cc1ccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)cc1C ZINC000008672389 EG Annotated Anodyne Cc1cccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1 ZINC000008672393 EG Annotated Anodyne Cc1cc(C)cc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1 ZINC000008672399 EG Annotated Anodyne Cc1ccccc1SCc1noc(C(=O)NC(C)C)c1C(=O)O ZINC000008672404 EG Annotated Anodyne COC(=O)C[C@H]1Oc2cc3oc4c(c3cc2O1)C(=O)CC(C)(C)C4 ZINC000008679925 EG Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc(Br)o2)cc1 ZINC000008680264 EG Annotated Mild CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@@]23C ZINC000008681294 EG Annotated Mild CC1=C2[C@@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O ZINC000008682261 EG Annotated Mild COCC/N=C(\S)N/N=C(\C)c1ccc2cc(OC)ccc2c1 ZINC000008691223 EG Annotated Mild CCCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)O ZINC000008691322 EG Annotated Anodyne Cc1ccc([C@@H]2c3c(O)nc(S)nc3N=C3CCCC(=O)[C@H]32)cc1 ZINC000008762833 EG Annotated Anodyne C=CCOc1c2ccc(C(=O)NCc3ccc(C)cc3)cc2nn1C ZINC000008762933 EG Annotated Mild CCCCn1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1OCC ZINC000008801874 EG Annotated Anodyne C=CCOc1c2ccc(C(=O)NCCc3ccc(C)cc3)cc2nn1C ZINC000008801889 EG Annotated Mild C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@@H]3O2 ZINC000008829475 EG Annotated Anodyne O=c1cc(O)oc2c3c(n(-c4ccccc4)c(=O)c12)CCCCCC3 ZINC000008855144 EG Annotated Anodyne CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000008860632 EG Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000008860633 EG Annotated Mild COCCCNCc1c(C(=O)O)c(C)n(Cc2ccccc2F)c1C ZINC000008932463 EG Annotated Anodyne COc1ccccc1C1(CNCc2ccc([S@](C)=O)cc2)CC1 ZINC000085308228 EG Annotated Anodyne COc1ccccc1C1(CNCc2ccc([S@@](C)=O)cc2)CC1 ZINC000085308231 EG Annotated Anodyne Cc1occc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000085394354 EG Annotated Anodyne Cc1occc1CNC(=O)N(CCCO)[C@H]1CCc2ccccc21 ZINC000085394356 EG Annotated Anodyne Cc1cnc(CNC(=O)N(CCCO)[C@@H]2CCc3ccccc32)s1 ZINC000085408769 EG Annotated Anodyne Cc1cnc(CNC(=O)N(CCCO)[C@H]2CCc3ccccc32)s1 ZINC000085408772 EG Annotated Anodyne C/C=C1/[C@@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000085488166 EG Annotated Anodyne in-vitro biogenic CO[C@H]1C=C[C@@]23O[C@@H]2C[C@H]2CCCc4cc5c(cc4[C@@]23C1)OCO5 ZINC000085491198 EG Annotated Anodyne in-vitro biogenic C[C@H](C=O)CCCCCCCCCC/C(=C/C(=O)O)CN=C(N)N ZINC000085510449 EG Annotated Mild in-vitro biogenic CC1(C)C=Cc2cc3c(cc2O1)C[C@@H]1c2ccc(O)cc2OC[C@]31O ZINC000085510542 EG Annotated Anodyne in-vitro biogenic COc1ccc2c(c1O)OC[C@H]1c3ccc(OC)c(OC)c3C[C@@H]21 ZINC000085529916 EG Annotated Anodyne in-vitro biogenic COC1=C[C@@H]2[C@H](C=C1OC)CCCN1CCC3=CC[C@H](OC)C[C@]321 ZINC000085530716 EG Annotated Anodyne in-vitro biogenic CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2N ZINC000085532074 EG Annotated Clean in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3ccccc3)([C@H]2OC)C1(C)C ZINC000085546409 EG Annotated Mild in-vitro biogenic CN[C@@H]1CC[C@@]23C[C@]4(CCC[C@@H]14)[C@@H]2[C@@H](O)C[C@]1(C)CCC[C@@]3(O)C1 ZINC000085547468 EG Annotated Anodyne in-vitro biogenic CN[C@@H]1CC[C@@]23[C@@H](O)C[C@]4(C)CCC[C@@](O)(C4)[C@@H]2C[C@@]32CCC[C@@H]12 ZINC000085547476 EG Annotated Anodyne in-vitro biogenic C[C@]12C[C@@H]3C=C[C@H]1[C@@H](O)[C@]1(CO)[C@@H](CC14CCCCC4)[C@@](O)(C3)C2 ZINC000085547550 EG Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H](CCC2(O)CCCC2)[C@@]2(O)CN12 ZINC000085547851 EG Annotated Anodyne in-vitro biogenic CCNC[C@H]1C[C@H]([C@@H](c2ccc(C=O)cc2)C2CCCC2)N2C[C@@H]12 ZINC000085547916 EG Annotated Anodyne in-vitro biogenic CC1(C)[C@@H]2CC[C@H]3CC=C[C@H]4C(=O)C(CCCCN=C(N)N)=C(C2)[C@@]341 ZINC000085549655 EG Annotated Mild in-vitro biogenic CCCCC[C@@H]1CCCCC[C@@H]2CC(=O)[C@](O)(CCC(=O)O1)O2 ZINC000085550662 EG Annotated Anodyne C=C[C@]1(C)C[C@H](O)[C@]2(C)[C@H](C1)C(=O)C[C@H]1[C@]3(C)CCC[C@@]12OC3=O ZINC000085562046 EG Annotated Mild C=C[C@]1(C)C[C@H](O)[C@]2(C)[C@@H](C1)C(=O)C[C@H]1[C@]3(C)CCC[C@@]12OC3=O ZINC000085562054 EG Annotated Mild CNc1nc(CNC(=O)Nc2cccc(-n3ccc(C)n3)c2)cs1 ZINC000085580356 EG Annotated Anodyne C=C1C[C@]2(C=O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 ZINC000085602966 EG Annotated Reactive CCCCc1oc(CCc2ccc(O)c(OCCNC)c2)cc1CO ZINC000085624472 EG Annotated Anodyne in-vitro biogenic CC1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@]3(O)CC1 ZINC000085637039 EG Annotated Anodyne in-vitro biogenic CC1=C(C2=C(C)C(=O)C(=O)C(C(C)C)=C2)C=C(C(C)C)C(=O)C1=O ZINC000085641665 EG Annotated Mild in-man CO[C@@]12CC[C@@H](O)[C@@](C)(CC[C@@H]3C(C=O)=C[C@@H](C=C(C)C)[C@H](O)[C@H]31)C2 ZINC000085643249 EG Annotated Reactive C/C(=C\CC[C@@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3)CO ZINC000085645390 EG Annotated Mild C[C@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)OC1(C)C ZINC000085646247 EG Annotated Clean in-vitro biogenic COc1cc(/C=C/C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)ccc1O ZINC000085666405 EG Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000085693085 EG Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C[C@]34CCC[C@](C)(CO3)[C@@H]4CC=C2C1=O ZINC000085693998 EG Annotated Mild CC(C)CC(=O)O[C@@H]1OC=C2[C@@H]3C[C@@H]4C[C@]25[C@H]1CC[C@H]5[C@]4(C)C(=O)O3 ZINC000085694017 EG Annotated Anodyne CC(C)CC(=O)O[C@@H]1OC=C2[C@@H]3C[C@@H]4C[C@]25[C@@H]1CC[C@H]5[C@]4(C)C(=O)O3 ZINC000085694018 EG Annotated Anodyne CC(C)[C@@H]1CC=C2C[C@H]3O[C@@H](C[C@H]4O[C@@]34C)[C@](C)(O)C(=O)C[C@]21C ZINC000085694886 EG Annotated Anodyne CC1=C(CCc2ccoc2)[C@@]2(C)CCC(=O)[C@]3(C)C(=O)O[C@H](C1=O)[C@H]23 ZINC000085695665 EG Annotated Mild CC[C@@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13 ZINC000085741350 EG Annotated Anodyne in-man CC[C@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13 ZINC000085741357 EG Annotated Anodyne in-man C=C[C@@](C)(O)CC/C=C(\C)[C@@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O ZINC000085760056 EG Annotated Mild in-vitro biogenic C=C[C@@](C)(O)CC/C=C(\C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O ZINC000085760058 EG Annotated Mild CC(C)=CC(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@]1(C)O ZINC000085767985 EG Annotated Anodyne CC1=C(C=O)C[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)CC[C@@]12C ZINC000085771859 EG Annotated Reactive C=C[C@@](C)(O)C[C@@H](O)/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000085773754 EG Annotated Mild C/C=C1/C[N+]2([O-])CCc3c4n(c5ccccc35)[C@@H](C(=O)OC)[C@H]1C[C@@H]42 ZINC000085776221 EG Annotated Bother CC(=O)O[C@@H]1/C=C(\C)CC/C=C(/CO)C[C@@H](OC(C)=O)[C@@H]1C(C)C ZINC000085799490 EG Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2 ZINC000085807666 EG Annotated Anodyne CC(=O)O[C@@H]1CC(C(C)C)=C[C@@H]2[C@H](CC[C@@]2(C)OC(C)=O)[C@@]1(C)O ZINC000085827346 EG Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 ZINC000085841924 EG Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C(=O)O)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1 ZINC000085841954 EG Annotated Anodyne C[C@@]1(CCC2=CCOC2=O)[C@@H](CO)CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]12 ZINC000085841981 EG Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 ZINC000085847160 EG Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C=O)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12 ZINC000085847180 EG Annotated Mild CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)C(=O)CC[C@]3(C)C2=C(O)C1=O ZINC000085873900 EG Annotated Mild in-vitro biogenic CC(C)c1ccc2c(c1)CC[C@@]1(O)[C@](C)(C(=O)O)CCC(=O)[C@]21C ZINC000085887709 EG Annotated Anodyne CC(C)[C@]1(O)C=C2C(=O)[C@H]3OC(=O)[C@@]4(C)CCC[C@](C)([C@H]2CC1)[C@@H]34 ZINC000085887780 EG Annotated Mild CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C(=O)[C@H](O)[C@@]12C ZINC000085888259 EG Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C=CC(=O)[C@@]3(C)CC[C@@H]21 ZINC000085889258 EG Annotated Mild C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21 ZINC000085889278 EG Annotated Mild C=C1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\CCOC1=O ZINC000085891512 EG Annotated Mild COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3 ZINC000085897013 EG Annotated Anodyne COC(=O)[C@]12CCC=C3C=CCN(CCc4c1[nH]c1ccccc41)[C@H]32 ZINC000085897209 EG Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1 ZINC000085908378 EG Annotated Mild in-man CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@@H]3C(C)(C)CCC[C@]23C(=O)O1 ZINC000085908379 EG Annotated Mild in-man CC1=C(C=O)[C@@H]2C[C@H]3c4c(c5ccccc5n4C)C[C@@H]([C@@H]2CO1)N3C ZINC000085916514 EG Annotated Reactive C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)CC[C@@H](O)[C@]3(C)[C@@]2(O)CC1 ZINC000085932114 EG Annotated Mild C=C[C@@]1(C)C[C@]2(Oc3c1c(=O)oc1cccc(C)c31)OC(C)(C)[C@H]2O ZINC000085944832 EG Annotated Mild CC(C)=CC[C@]1(O)c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21 ZINC000085946180 EG Annotated Anodyne CCC[C@H](O)C/C=C(\Cl)C(=O)C(Br)Br ZINC000085951709 EG Annotated Reactive CC1(C)C=C([C@H](Cl)CBr)[C@@H](O)C[C@H]1Br ZINC000085951726 EG Annotated Reactive CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C/C3=C[C@@](C)(O)C[C@]3(O2)C1=O ZINC000085952305 EG Annotated Mild CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](C2=O)C(=O)C(C)(C)[C@@H]1C=O ZINC000085952906 EG Annotated Mild in-vitro biogenic CC1=C(CCO)C(=O)C(O)=C2C1=CC(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000085970841 EG Annotated Mild C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000085976719 EG Annotated Anodyne CC1(C)CCC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C[C@@H]12)C[C@H](CO)O4 ZINC000085976745 EG Annotated Anodyne C[n+]1ccc2cc3c(cc2c2cc4ccc5c(c4c1-2)OCO5)OCO3 ZINC000085994966 EG Annotated Bother C=CCC1=C(O)C(=O)C2=C(C=C[C@@H]3[C@@](C)(CO)CCC[C@]23C)C1=O ZINC000085995649 EG Annotated Mild Oc1ccc(-c2cc(Cc3ncc[nH]3)ccc2O)c(Cc2ncc[nH]2)c1 ZINC000085996406 EG Annotated Anodyne in-man CC[C@]12CCCN3C(=O)C=C(c4ccccc4NC(=O)CC1)[C@@]32OC ZINC000085996645 EG Annotated Anodyne CC[C@@]12CCCN3C(=O)C=C(c4ccccc4NC(=O)CC1)[C@]32OC ZINC000085996648 EG Annotated Anodyne COc1ccc2c(c1OC)[C@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 ZINC000085997714 EG Annotated Bother in-man COc1ccc2c(c1OC)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 ZINC000085997715 EG Annotated Bother in-man COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=C[C@@H]1CCN3CCC2 ZINC000085998048 EG Annotated Anodyne COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=C[C@@H]1CCN3CCC2 ZINC000085998049 EG Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=C[C@@H]1CCN3CCC2 ZINC000085998050 EG Annotated Anodyne O=C(/C(Br)=C\Br)[C@@H](Cl)Br ZINC000086000605 EG Annotated Reactive O=C(C=C(Br)Br)[C@@H](Cl)Br ZINC000086000609 EG Annotated Reactive C[C@H](CO)C1=C(O)C2=CC(=O)[C@@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O ZINC000086004417 EG Annotated Mild C[C@H](CO)C1=C(O)C2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O ZINC000086004423 EG Annotated Mild C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 ZINC000086004460 EG Annotated Clean CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)C[C@H](O)C[C@]3(C)C2=C(O)C1=O ZINC000086004505 EG Annotated Mild COc1cc(/C=C\C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)ccc1O ZINC000086021098 EG Annotated Anodyne CO[C@@H]1CCC2(Oc3cccc4cccc(c34)O2)C2=C1C(=O)C=CC2=O ZINC000086034281 EG Annotated Mild COC1=C(C)C(=O)C(C)(C)C(=O)/C1=C1\C=Cc2c(OC)cccc2O1 ZINC000086037138 EG Annotated Mild CCc1nc(CNc2ccc(C(=O)NCc3ccco3)cc2C)no1 ZINC000086201315 EG Annotated Anodyne CC(=O)Nc1ccc(N/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000087705928 EG Annotated Anodyne COC(=O)/C=C/c1nn(C(=O)O)c2ccc(OC)c(C(C)(C)C)c12 ZINC000089195690 EG Annotated Anodyne O=C1N=C(O)[C@H]([N+]2=CCc3ccccc32)[C@@H]1n1ccc2ccccc21 ZINC000089210107 EG Annotated Anodyne O=C1N=C(O)[C@@H]([N+]2=CCc3ccccc32)[C@@H]1n1ccc2ccccc21 ZINC000089213238 EG Annotated Anodyne Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2cn[nH]c2n1 ZINC000089223079 EG Annotated Anodyne Cc1cccc([C@@H]2CNCCc3c2cc(O)c(O)c3Br)c1 ZINC000089464572 EG Annotated Clean Cc1cccc([C@H]2CNCCc3c2cc(O)c(O)c3Br)c1 ZINC000089464577 EG Annotated Clean Cc1ccccc1[C@@H]1CNCCc2c1cc(O)c(O)c2Br ZINC000089464594 EG Annotated Clean Cc1ccccc1[C@H]1CNCCc2c1cc(O)c(O)c2Br ZINC000089464597 EG Annotated Clean C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000089905070 EG Annotated Anodyne C=CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000089905071 EG Annotated Anodyne O=C(NO)c1cc(CSCc2cccc(C(F)(F)F)c2)on1 ZINC000009133257 EG Annotated Anodyne CC1=C2[C@@H](O)C(=O)O[C@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C ZINC000009186907 EG Annotated Mild C[C@@H]1CCCCN1CCCNC(=O)Cn1ncc2ccc(Cl)cc21 ZINC000009251061 EG Annotated Anodyne C[C@H]1CCCCN1CCCNC(=O)Cn1ncc2ccc(Cl)cc21 ZINC000009251062 EG Annotated Anodyne CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1Nc1nc(C)cs1 ZINC000009268399 EG Annotated Anodyne CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N(C)Cc1ccco1 ZINC000009268509 EG Annotated Anodyne O=C(c1nc(-c2ccncc2)no1)N1CC=C(c2ccccc2)CC1 ZINC000009405754 EG Annotated Anodyne CCC1=C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@H]13 ZINC000090415196 EG Annotated Anodyne Cc1ccc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c(Cl)c1 ZINC000091476171 EG Annotated Anodyne CC(C)[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1C(=O)O ZINC000091819059 EG Annotated Anodyne CC(C)(C)CN1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000091830812 EG Annotated Anodyne Cc1cc(C)cc(-n2nnc(S(=O)(=O)c3ccccc3)c2C)c1 ZINC000009611232 EG Annotated Anodyne CCc1nnc(NC(=O)c2noc3c2CCc2sccc2-3)s1 ZINC000009642622 EG Annotated Anodyne Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1-c1ccsc1CC2 ZINC000009687511 EG Annotated Anodyne Cn1nc(C(=O)NCCc2ccccc2)c2c1-c1ccsc1CC2 ZINC000009687657 EG Annotated Anodyne Cc1cc(C)nc(NNC2=CC(=[N+]3CCCCC3)CC(C)(C)C2)n1 ZINC000095351618 EG Annotated Anodyne Cc1nc(C)c(CNCc2nnc3n2CCC[C@@H]3C(F)(F)F)s1 ZINC000095402051 EG Annotated Anodyne Cc1nc(C)c(CNCc2nnc3n2CCC[C@H]3C(F)(F)F)s1 ZINC000095402052 EG Annotated Anodyne Cc1ncsc1[C@H](OC(=O)C1(CO[N+](=O)[O-])CC1)c1ccccc1 ZINC000095552278 EG Annotated Anodyne Cc1ncsc1[C@@H](OC(=O)C1(CO[N+](=O)[O-])CC1)c1ccccc1 ZINC000095552279 EG Annotated Anodyne Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccc[nH]1 ZINC000095552577 EG Annotated Mild COc1cccc(-c2cccc([C@H]3C[C@H]3c3cc(=O)n(C)c(N)n3)c2)c1 ZINC000095552705 EG Annotated Anodyne O=C(OCc1cccs1)c1cc2c(o1)C(=O)c1ccccc1C2=O ZINC000095554161 EG Annotated Clean OC1CCN(C2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000095554320 EG Annotated Anodyne Cc1nc(-c2cccnc2Nc2cccc3[nH]ncc23)c2cn[nH]c2n1 ZINC000095554352 EG Annotated Anodyne Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2cncn2C)nn1 ZINC000095555213 EG Annotated Anodyne Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2cncn2C)nn1 ZINC000095555214 EG Annotated Anodyne CCOC(=O)c1cc(C)c(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1 ZINC000095555319 EG Annotated Mild Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2cncc(O)c2)nn1 ZINC000095555634 EG Annotated Anodyne Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2cncc(O)c2)nn1 ZINC000095555635 EG Annotated Anodyne C[C@@]12CC[C@@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2 ZINC000095555873 EG Annotated Reactive O=C1NC(=S)N(Cc2ccccc2)/C1=C\c1ccc2[nH]ccc2c1 ZINC000095556222 EG Annotated Anodyne COc1cccc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1 ZINC000095557316 EG Annotated Anodyne CC(C)(C)CS(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000095557511 EG Annotated Anodyne O=C1OCC[C@H]2N=C(c3ccccc3)c3ccccc3-n3cnc1c32 ZINC000095557688 EG Annotated Anodyne O=C1OCC[C@@H]2N=C(c3ccccc3)c3ccccc3-n3cnc1c32 ZINC000095557689 EG Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc([N+](=O)[O-])cc34)[C@@H]21 ZINC000095557770 EG Annotated Clean CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc([N+](=O)[O-])cc34)[C@H]21 ZINC000095557771 EG Annotated Clean CCCCCCCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O ZINC000095558144 EG Annotated Mild O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)cc(Cl)c1O ZINC000095559131 EG Annotated Bother O=C(Nc1nc(-c2ccccc2)co1)C1=NNC[C@@H]1c1ccccc1 ZINC000095559181 EG Annotated Anodyne O=C(Nc1nc(-c2ccccc2)co1)C1=NNC[C@H]1c1ccccc1 ZINC000095559182 EG Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2cn(C)nc12 ZINC000095559567 EG Annotated Anodyne Cc1ccc(-c2coc(NC(=O)C3=NNC[C@@H]3c3ccccc3)n2)cc1 ZINC000095559610 EG Annotated Anodyne Cc1ccc(-c2coc(NC(=O)C3=NNC[C@H]3c3ccccc3)n2)cc1 ZINC000095559611 EG Annotated Anodyne Cc1ccc(-c2c[nH]/c(=N\C(=O)c3n[nH]cc3-c3ccccc3)[nH]2)cc1 ZINC000095559626 EG Annotated Anodyne CNc1nc(N)nc2nc(-c3c(F)cccc3N3CCCC3)ccc12 ZINC000095559910 EG Annotated Anodyne C#C[C@@]12O[C@]1(CO)[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC2=O ZINC000095560185 EG Annotated Mild CN(C(=S)NN=C(c1ccccn1)c1ccccn1)c1ccccc1 ZINC000095560355 EG Annotated Mild O=C(/N=c1\[nH]cc(-c2ccccc2)[nH]1)c1n[nH]cc1-c1ccccc1 ZINC000095560855 EG Annotated Anodyne O=C1c2ccccc2N(CC2CC2)C(=O)CN1CC1CCCCC1 ZINC000095562018 EG Annotated Anodyne N#CC1(n2cc([C@@H](NC(=O)c3ccccc3)C3CCCCC3)nn2)CC1 ZINC000095562131 EG Annotated Mild C=C[C@@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1 ZINC000095564048 EG Annotated Mild C=C[C@@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@](C)(O)CC(=O)C=C(C)C)O1 ZINC000095564049 EG Annotated Mild C=C[C@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1 ZINC000095564050 EG Annotated Mild C=C[C@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@](C)(O)CC(=O)C=C(C)C)O1 ZINC000095564051 EG Annotated Mild CC(C)N1C(=O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000095565317 EG Annotated Anodyne CC(C)N1C(=O)CC[C@]1(C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000095565318 EG Annotated Anodyne CCN1C(=O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000095565333 EG Annotated Anodyne CCN1C(=O)CC[C@]1(C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000095565334 EG Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](C1CC1)O[C@H](CCc1ccccc1)C2 ZINC000095566570 EG Annotated Anodyne CC(C)CN1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 ZINC000095566970 EG Annotated Clean CCCCNC(=O)c1nc(C2CCNCC2)oc1-c1ccccc1 ZINC000095567490 EG Annotated Anodyne CC[C@@]1(c2ccccc2)C(=O)N(C(=O)OC(C)C)N1C(=O)OC(C)C ZINC000095567797 EG Annotated Anodyne Cc1cccc(N2CCN(C(=S)Nc3cc(C)ccn3)CC2)c1 ZINC000095568665 EG Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCCC1 ZINC000095569571 EG Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCCC1 ZINC000095569572 EG Annotated Anodyne Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2C(C)C)cc1 ZINC000095569651 EG Annotated Anodyne Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2C(C)C)cc1 ZINC000095569652 EG Annotated Anodyne CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C)C(=O)c1ccccc12 ZINC000095570024 EG Annotated Anodyne O=C(NCC(F)(F)F)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000095570062 EG Annotated Anodyne Cc1ccnc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000095570557 EG Annotated Anodyne O=C(c1cccc(Br)c1)c1nc2ccccc2nc1O ZINC000095570607 EG Annotated Anodyne COc1ccc([C@H]2CC(=O)C[C@@H](CCn3cc(C(C)C)nn3)O2)cc1 ZINC000095570727 EG Annotated Anodyne COc1cc2c(cc1OC)/C(=C/C(=O)OCc1ccccc1)OC2 ZINC000095571514 EG Annotated Anodyne COc1cc(/C=C2\CCCN3CCON=C23)ccc1-n1cnc(C)c1 ZINC000095572704 EG Annotated Anodyne O=C1NC(=O)c2cc(Sc3ccc(Br)cc3)ccc21 ZINC000095573171 EG Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)N2CCNCC2)no1 ZINC000095573719 EG Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)N2CCNCC2)no1 ZINC000095573720 EG Annotated Anodyne O=C(Nc1cccc2c1[C@@H]1CCCCN1C2=O)Nc1ncccc1O ZINC000095573841 EG Annotated Anodyne O=C(Nc1cccc2c1[C@H]1CCCCN1C2=O)Nc1ncccc1O ZINC000095573842 EG Annotated Anodyne COc1cc(Nc2ncnc3c2sc2nccnc23)cc(OC)c1 ZINC000095575985 EG Annotated Anodyne CSc1nnc(-c2cc(Br)c(Br)[nH]2)o1 ZINC000095576014 EG Annotated Anodyne C/C(=N/N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1 ZINC000095576084 EG Annotated Mild c1cnc2c(n1)sc1c(Nc3ccc4c(c3)OCCO4)ncnc12 ZINC000095576574 EG Annotated Anodyne CNc1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1 ZINC000095576912 EG Annotated Anodyne CCN(CC)c1ccc(C(NC(=O)C(C)C)NC(=O)C(C)C)cc1 ZINC000095576946 EG Annotated Clean C/C(=N/N=c1/[nH]c(-c2ccc(C#N)cc2)cs1)c1nccs1 ZINC000095577185 EG Annotated Mild Cc1nccn1-c1c(O)ccc2c1nc(CNc1ccccc1)n2C ZINC000095578399 EG Annotated Anodyne CN(C)c1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1 ZINC000095578631 EG Annotated Anodyne CC#Cc1ccnc(-c2cc([C@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1 ZINC000095578720 EG Annotated Mild CC#Cc1ccnc(-c2cc([C@@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1 ZINC000095578721 EG Annotated Mild O[C@@H](Cn1cc(-c2ccccn2)nn1)c1ccc(Cl)cc1Cl ZINC000095579025 EG Annotated Anodyne O[C@H](Cn1cc(-c2ccccn2)nn1)c1ccc(Cl)cc1Cl ZINC000095579026 EG Annotated Anodyne COc1ccccc1Cn1c(-c2cccnc2N)nc2cccnc21 ZINC000095579066 EG Annotated Anodyne CC#Cc1cncc(-c2cc([C@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1 ZINC000095579095 EG Annotated Mild CC#Cc1cncc(-c2cc([C@@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1 ZINC000095579096 EG Annotated Mild CCc1ccc(C(=O)C[C@@H](c2ccccc2)C(C(=O)O)C(=O)O)cc1 ZINC000095579771 EG Annotated Anodyne CCc1ccc(C(=O)C[C@H](c2ccccc2)C(C(=O)O)C(=O)O)cc1 ZINC000095579772 EG Annotated Anodyne Cc1cnn2c1n[n+]([O-])c1ccc(OC[C@@H](C)c3ccccc3)cc12 ZINC000095580318 EG Annotated Anodyne Cc1cnn2c1n[n+]([O-])c1ccc(OC[C@H](C)c3ccccc3)cc12 ZINC000095580319 EG Annotated Anodyne Fc1ccccc1Cn1nc(-c2noc(=S)[nH]2)c2cccnc21 ZINC000095580966 EG Annotated Anodyne CC[C@@H](C)NC1=NS(=O)(=O)c2cc(C(F)(F)F)ccc2S1 ZINC000095583341 EG Annotated Anodyne CC[C@H](C)NC1=NS(=O)(=O)c2cc(C(F)(F)F)ccc2S1 ZINC000095583342 EG Annotated Anodyne C=CCCCc1cc(O)c(C(=O)CCCCCCC(=O)O)c(=O)o1 ZINC000095583687 EG Annotated Mild COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1 ZINC000095584460 EG Annotated Anodyne CN(C)c1ccc(C(=O)c2ncc(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000095585069 EG Annotated Anodyne Cc1ncc(C)n2nc(-c3ccn4cc(-c5ccccn5)nc4c3)nc12 ZINC000095585187 EG Annotated Anodyne O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO ZINC000095585986 EG Annotated Bother COc1cc(C#C/C=C\C#Cc2ccccc2N)cc(OC)c1OC ZINC000095586502 EG Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](O)[C@@](C)(CC[C@@H]21)[C@@H]3O ZINC000095586917 EG Annotated Anodyne O=C(C(=O)N1CCCC1)c1cn(C(=O)c2ccccc2)c2ccccc12 ZINC000095587623 EG Annotated Anodyne O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCOc2ccccc2C1 ZINC000095587759 EG Annotated Anodyne CC(C)(CO)NCc1ccc2oc3ccc(Cl)cc3c(=O)c2c1 ZINC000095587779 EG Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCCCC3)[nH]c21 ZINC000095587801 EG Annotated Clean CC(C)N(C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000095587824 EG Annotated Clean COc1cc2c(c(OC)c1OC)-c1c(c3ccccc3n1C)[C@H]2O ZINC000095588302 EG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(c3ccccc3n1C)[C@@H]2O ZINC000095588303 EG Annotated Anodyne Cc1cc(C)cc(Cn2c(=O)ccn(C/C=C/c3ccccc3)c2=O)c1 ZINC000095588740 EG Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@@H](O)[C@@](C)(CC[C@@H]21)C3 ZINC000095590986 EG Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@@]13C[C@@H](O)[C@@](C)(CC[C@@H]21)C3 ZINC000095591109 EG Annotated Anodyne CN1CC[C@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1 ZINC000095591347 EG Annotated Mild CN1CC[C@@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1 ZINC000095591348 EG Annotated Mild N[C@@H](Cc1ccccc1)c1nc(=O)c2cc(-c3ccncc3)ccc2[nH]1 ZINC000095591489 EG Annotated Anodyne CCc1ccc(-c2ccc3c(c2)-c2[nH]ncc2S(=O)(=O)N3C)cc1 ZINC000095591813 EG Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@H]3OC(=O)C=C3CC[C@@H]12 ZINC000095591974 EG Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@H]3OC(=O)C=C3CC[C@@H]12 ZINC000095592045 EG Annotated Anodyne CCCN(C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000095592160 EG Annotated Clean COc1ccc(-c2nnc(-c3ccc(O)cc3O)s2)cc1OC ZINC000095592283 EG Annotated Anodyne Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N\O)c1ccccc1-3 ZINC000095592322 EG Annotated Mild CCOC(=O)c1c(OC2CCCC2)cc(Cc2ccccc2)[nH]c1=O ZINC000095592616 EG Annotated Anodyne Cc1cc(-c2nnc(-c3ccc(O)cc3O)s2)ccc1[N+](=O)[O-] ZINC000095592719 EG Annotated Bother CC(C)=CC[C@@]12OC[C@@H]3C[C@@H](C=C4C(=O)c5ccccc5O[C@]431)C2=O ZINC000095592773 EG Annotated Mild Nc1ncc2c(n1)-c1c([nH]c3ccc(Br)cc13)CCC2 ZINC000095592824 EG Annotated Anodyne CCN(CC)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000095592830 EG Annotated Clean N#CCN(Cc1ccccc1)Cc1cc([N+](=O)[O-])c2cccnc2c1O ZINC000095593192 EG Annotated Mild CNC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1 ZINC000095593477 EG Annotated Anodyne CC[C@@H](C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000095593588 EG Annotated Mild CC[C@H](C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000095593589 EG Annotated Mild CNC(=S)N/N=C(\c1ccc(C(C)(C)C)cc1)c1ccccn1 ZINC000095593899 EG Annotated Mild COC(=O)c1ccccc1SN1C(=O)C(=O)c2cccc(Cl)c21 ZINC000095595094 EG Annotated Anodyne CCOc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12 ZINC000095595259 EG Annotated Mild COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1ccccc1 ZINC000095595529 EG Annotated Anodyne Cc1ccccc1-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O ZINC000095595623 EG Annotated Anodyne CC(C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000095596202 EG Annotated Mild CN(c1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnnn1C ZINC000095596977 EG Annotated Anodyne N#Cc1sc2nc(N)c(C#N)c(-c3c[nH]c4ccccc34)c2c1N ZINC000095597033 EG Annotated Mild Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl ZINC000095597312 EG Annotated Anodyne CN[C@@]12CCc3cc(OC)c(OC)c(c31)-c1cc3c(cc1C2)OCO3 ZINC000095598826 EG Annotated Anodyne CN[C@]12CCc3cc(OC)c(OC)c(c31)-c1cc3c(cc1C2)OCO3 ZINC000095598827 EG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC(CO)=CC[C@@H]2c2ccccc2)cc1 ZINC000095599060 EG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC(CO)=CC[C@H]2c2ccccc2)cc1 ZINC000095599061 EG Annotated Anodyne CC(=O)C1=CC[C@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000095599819 EG Annotated Mild CC(=O)C1=CC[C@@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000095599820 EG Annotated Mild COc1ccc(-c2oc3c(c2-c2cnc(OC)nc2)[C@@H](O)CC3)cc1 ZINC000095599852 EG Annotated Anodyne COc1ccc(-c2oc3c(c2-c2cnc(OC)nc2)[C@H](O)CC3)cc1 ZINC000095599853 EG Annotated Anodyne CC(C)n1c(=O)c2ccccc2n1Cc1cn(C2CCCC2)nn1 ZINC000095600491 EG Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095600648 EG Annotated Anodyne O=C1NC[C@H](c2ccccc2)N(CCCCC2CCCCC2)C1=O ZINC000095600741 EG Annotated Anodyne CC(C)n1c(=O)c2ccccc2n1Cc1cn(-c2ccccc2)nn1 ZINC000095600921 EG Annotated Anodyne COc1cccc(-c2ccc3c(NC(C)=O)c(C(N)=O)sc3n2)c1 ZINC000095601168 EG Annotated Anodyne Cc1nc(C(=O)Nc2cccc(C#N)n2)c(C)n1-c1ccc(F)cc1 ZINC000095602166 EG Annotated Mild Cc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1 ZINC000095602229 EG Annotated Anodyne Cc1ccc([C@](O)(C(=O)OC(C)C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000095602706 EG Annotated Anodyne Cc1ccc([C@@](O)(C(=O)OC(C)C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000095602707 EG Annotated Anodyne Cc1ccc([C@](O)(C(=O)OC(C)C)[C@@H](O)c2ccc(F)cc2)cc1 ZINC000095602708 EG Annotated Anodyne Cc1ccc([C@@](O)(C(=O)OC(C)C)[C@@H](O)c2ccc(F)cc2)cc1 ZINC000095602709 EG Annotated Anodyne CCc1c(C)sc(NS(=O)(=O)c2ccccc2)c1C(=O)OC ZINC000095602900 EG Annotated Anodyne Cc1cccc(CN2[C@H](COCc3ccccc3)C=CS2(=O)=O)c1 ZINC000095603013 EG Annotated Anodyne O=C1O[C@@H](c2ccccc2)C[C@@H](O)[C@H](O)CCCCc2ccccc21 ZINC000095603361 EG Annotated Anodyne C[C@H](Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1 ZINC000095603541 EG Annotated Anodyne C[C@@H](Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1 ZINC000095603542 EG Annotated Anodyne CCc1c(C)sc(NS(=O)(=O)C2CCCCC2)c1C(=O)OC ZINC000095603820 EG Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1CN1c1c(F)c(F)c(F)c(F)c1F ZINC000095604107 EG Annotated Anodyne O=S(=O)(c1ccccc1)[C@H]1CN1c1c(F)c(F)c(F)c(F)c1F ZINC000095604108 EG Annotated Anodyne CC(=O)C1=CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1 ZINC000095604546 EG Annotated Mild CC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1 ZINC000095604547 EG Annotated Mild COC(=O)C1=C(C)N(CC(C)C)C(=S)N[C@H]1c1ccc(F)cc1 ZINC000095604564 EG Annotated Anodyne COC(=O)C1=C(C)N(CC(C)C)C(=S)N[C@@H]1c1ccc(F)cc1 ZINC000095604565 EG Annotated Anodyne Cc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccc(F)cc1 ZINC000095604799 EG Annotated Anodyne C[C@H](C(=O)O)c1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1 ZINC000095604950 EG Annotated Anodyne C[C@@H](C(=O)O)c1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1 ZINC000095604951 EG Annotated Anodyne O=C(NC1CCCCC1)[C@H](c1cc2ccccc2o1)N1CCOCC1 ZINC000095605102 EG Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1cc2ccccc2o1)N1CCOCC1 ZINC000095605103 EG Annotated Anodyne Cc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1 ZINC000095605227 EG Annotated Anodyne O=C1O[C@@H](c2ccccc2)C[C@@H](O)[C@H](O)CCCc2ccccc21 ZINC000095605396 EG Annotated Anodyne CCCC[C@H]1OC(=O)c2cc(NC(=O)CCCO[N+](=O)[O-])ccc21 ZINC000095605530 EG Annotated Anodyne CCCC[C@@H]1OC(=O)c2cc(NC(=O)CCCO[N+](=O)[O-])ccc21 ZINC000095605531 EG Annotated Anodyne CC(=O)C[C@H]1SC[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095605756 EG Annotated Anodyne CCc1coc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc12 ZINC000095607760 EG Annotated Anodyne CCOC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000095615477 EG Annotated Clean CCOC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000095615478 EG Annotated Clean COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(C)cc(OC)c1C2=O ZINC000095618876 EG Annotated Mild in-man C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]21)[C@@]1(CO1)C3 ZINC000095635913 EG Annotated Anodyne in-vitro C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]21)[C@@]1(CO1)C3 ZINC000095635914 EG Annotated Anodyne in-vitro C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO1)C3 ZINC000095635915 EG Annotated Anodyne in-vitro C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO1)C3 ZINC000095635916 EG Annotated Anodyne in-vitro CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc(Br)cc1 ZINC000095642307 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(Br)cc1 ZINC000095642308 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000095642317 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000095642318 EG Annotated Anodyne C[C@@H]1CN(C)C(=O)c2ccccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661575 EG Annotated Anodyne Cc1ccc(Cn2nnnc2NCc2ccc(N3CCCC3)cc2)cc1 ZINC000095665642 EG Annotated Clean CCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO ZINC000095667237 EG Annotated Mild CCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO ZINC000095667369 EG Annotated Mild CCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2cccc(C)c2)[C@@H]1C#N ZINC000095667374 EG Annotated Mild CCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@H]1CO ZINC000095667378 EG Annotated Mild CCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@H]1CO ZINC000095667382 EG Annotated Mild CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1C#N ZINC000095667385 EG Annotated Mild CCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO ZINC000095667390 EG Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095668011 EG Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095668015 EG Annotated Mild N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095668020 EG Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095668023 EG Annotated Mild N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095668031 EG Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2)[C@@H]1CO ZINC000095668221 EG Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2)[C@@H]1CO ZINC000095668225 EG Annotated Mild CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccccc2)[C@@H]1C#N ZINC000095668229 EG Annotated Mild CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccccc2)[C@@H]1C#N ZINC000095668232 EG Annotated Mild CC(C)(C)Oc1c(I)cncc1OC1CC1 ZINC000095719545 EG Annotated Anodyne CC(C)(C)Oc1nccc(OC2CC2)c1I ZINC000095719987 EG Annotated Anodyne CC(C)(C)Oc1cc(I)c(OC2CC2)cn1 ZINC000095721049 EG Annotated Anodyne CC(C)(C)Oc1nccc(I)c1OC1CC1 ZINC000095721296 EG Annotated Anodyne CC(C)(C)Oc1cncc(OC2CC2)c1I ZINC000095721349 EG Annotated Anodyne CC(C)(C)Oc1cnc(I)c(OC2CC2)c1 ZINC000095721649 EG Annotated Anodyne CC(C)(C)Oc1c(OC2CC2)ccnc1I ZINC000095721794 EG Annotated Anodyne CC(C)(C)Oc1cc(I)ncc1OC1CC1 ZINC000095722129 EG Annotated Anodyne CC(C)(C)Oc1ncc(I)cc1OC1CC1 ZINC000095722173 EG Annotated Anodyne CC(C)(C)Oc1cncc(I)c1OC1CC1 ZINC000095723296 EG Annotated Anodyne CC(C)(C)Oc1ccc(OC2CC2)c(I)n1 ZINC000095723720 EG Annotated Anodyne CC(C)(C)Oc1cc(OC2CC2)cnc1I ZINC000095724441 EG Annotated Anodyne CC(C)(C)Oc1nc(I)ccc1OC1CC1 ZINC000095725387 EG Annotated Anodyne CC(C)(C)Oc1ccnc(I)c1OC1CC1 ZINC000095726380 EG Annotated Anodyne CC(C)(C)Oc1cc(OC2CC2)c(I)cn1 ZINC000095726597 EG Annotated Anodyne CC(C)(C)Oc1cnc(I)cc1OC1CC1 ZINC000095727458 EG Annotated Anodyne CC(C)(C)Oc1ncc(OC2CC2)cc1I ZINC000095727527 EG Annotated Anodyne CC(C)(C)Oc1cc(OC2CC2)cc(I)n1 ZINC000095727610 EG Annotated Anodyne FC(F)(F)c1cc(OC2CC2)cnc1I ZINC000095733797 EG Annotated Anodyne FC(F)(F)c1c(I)cncc1OC1CC1 ZINC000095733825 EG Annotated Anodyne FC(F)(F)c1c(OC2CC2)ccnc1I ZINC000095733827 EG Annotated Anodyne FC(F)(F)c1cc(I)ncc1OC1CC1 ZINC000095733854 EG Annotated Anodyne FC(F)(F)c1ccc(OC2CC2)c(I)n1 ZINC000095733895 EG Annotated Anodyne FC(F)(F)c1ccnc(I)c1OC1CC1 ZINC000095733968 EG Annotated Anodyne FC(F)(F)c1cnc(I)c(OC2CC2)c1 ZINC000095733990 EG Annotated Anodyne FC(F)(F)c1cnc(I)cc1OC1CC1 ZINC000095733992 EG Annotated Anodyne FC(F)(F)c1cncc(I)c1OC1CC1 ZINC000095734015 EG Annotated Anodyne FC(F)(F)c1cncc(OC2CC2)c1I ZINC000095734019 EG Annotated Anodyne FC(F)(F)c1cc(OC2CC2)cc(I)n1 ZINC000095734053 EG Annotated Anodyne FC(F)(F)c1nc(I)ccc1OC1CC1 ZINC000095734055 EG Annotated Anodyne FC(F)(F)c1cc(OC2CC2)c(I)cn1 ZINC000095734071 EG Annotated Anodyne FC(F)(F)c1ncc(I)cc1OC1CC1 ZINC000095734074 EG Annotated Anodyne FC(F)(F)c1cc(I)c(OC2CC2)cn1 ZINC000095734088 EG Annotated Anodyne FC(F)(F)c1ncc(OC2CC2)cc1I ZINC000095734095 EG Annotated Anodyne FC(F)(F)c1nccc(I)c1OC1CC1 ZINC000095734124 EG Annotated Anodyne FC(F)(F)c1nccc(OC2CC2)c1I ZINC000095734127 EG Annotated Anodyne Br[C@H]1C(I)=CC=C[C@H]1OC1CC1 ZINC000095734632 EG Annotated Reactive Br[C@H]1C(I)=CC=C[C@@H]1OC1CC1 ZINC000095734634 EG Annotated Reactive Br[C@@H]1C(I)=CC=C[C@H]1OC1CC1 ZINC000095734636 EG Annotated Reactive Br[C@@H]1C(I)=CC=C[C@@H]1OC1CC1 ZINC000095734638 EG Annotated Reactive CC(C)(C)OC(=O)N1CCN[C@H](c2ccccc2Br)C1 ZINC000095752121 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](c2ccccc2Br)C1 ZINC000095752123 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccccc1Br ZINC000095752125 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccccc1Br ZINC000095752126 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](c2ccccc2OC(F)(F)F)C1 ZINC000095752140 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](c2ccccc2OC(F)(F)F)C1 ZINC000095752141 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccccc1OC(F)(F)F ZINC000095752143 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccccc1OC(F)(F)F ZINC000095752146 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000095752149 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000095752152 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(OC(F)(F)F)cc2)C1 ZINC000095752154 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(OC(F)(F)F)cc2)C1 ZINC000095752156 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000095752157 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000095752160 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1C(F)(F)F ZINC000095752437 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1C(F)(F)F ZINC000095752440 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000095752450 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000095752452 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095752454 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000095752456 EG Annotated Anodyne COc1ccc(OC)c(-c2nn(Cc3nnco3)c3ccccc23)c1 ZINC000095755514 EG Annotated Anodyne COc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1OC ZINC000095755516 EG Annotated Anodyne COc1cc(OC)cc(-c2nn(Cc3nnco3)c3ccccc23)c1 ZINC000095755530 EG Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCCN(C(=O)OC(C)(C)C)C2 ZINC000095761130 EG Annotated Anodyne CC(C)(C)OC(=O)NCCc1cc(Br)cc(C=O)c1 ZINC000095764795 EG Annotated Anodyne CC(=O)c1cc(Br)nc(CNC(=O)OC(C)(C)C)c1 ZINC000095766608 EG Annotated Anodyne CC(=O)c1cc(Br)cc(CNC(=O)OC(C)(C)C)n1 ZINC000095766770 EG Annotated Anodyne CC(=O)c1cc(CNC(=O)OC(C)(C)C)cc(Br)n1 ZINC000095766930 EG Annotated Anodyne CC(=O)c1cc(Br)nc(CCNC(=O)OC(C)(C)C)c1 ZINC000095767609 EG Annotated Anodyne CC(=O)c1cc(CCNC(=O)OC(C)(C)C)nc(C(F)(F)F)c1 ZINC000095767703 EG Annotated Anodyne CC(=O)c1cc(Br)cc(CCNC(=O)OC(C)(C)C)n1 ZINC000095767802 EG Annotated Anodyne CC(=O)c1cc(C(F)(F)F)cc(CCNC(=O)OC(C)(C)C)n1 ZINC000095767889 EG Annotated Anodyne CC(=O)c1cc(CCNC(=O)OC(C)(C)C)cc(Br)n1 ZINC000095767976 EG Annotated Anodyne CC(=O)c1cc(CCNC(=O)OC(C)(C)C)cc(C(F)(F)F)n1 ZINC000095768067 EG Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc(CBr)nc2C1 ZINC000095774316 EG Annotated Reactive O=C1N(Cc2ccccc2)C[C@H](c2ccccc2F)[C@]12CCCNC2 ZINC000095775158 EG Annotated Anodyne O=C1N(Cc2ccccc2)C[C@@H](c2ccccc2F)[C@]12CCCNC2 ZINC000095775160 EG Annotated Anodyne O=C1N(Cc2ccccc2)C[C@H](c2ccccc2F)[C@@]12CCCNC2 ZINC000095775162 EG Annotated Anodyne O=C1N(Cc2ccccc2)C[C@@H](c2ccccc2F)[C@@]12CCCNC2 ZINC000095775164 EG Annotated Anodyne CC(C)(C)c1ccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccccc2)cc1 ZINC000095784996 EG Annotated Anodyne CC(C)(C)c1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccccc2)cc1 ZINC000095784999 EG Annotated Anodyne COc1ccc([C@H]2C[C@H]3C(Br)=C[C@@H]2C(=O)[C@]32CO2)cc1 ZINC000095785160 EG Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](C)[C@H]1CCCO ZINC000095785222 EG Annotated Anodyne C/C=C/c1ccccc1[C@H]1[C@@H](CO)N(C(=O)NC2CCCC2)[C@H]1C#N ZINC000095798365 EG Annotated Mild C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)NC2CCCC2)[C@H]1CO ZINC000095798406 EG Annotated Mild CC(=O)NC(=O)[C@@H]1C=C2C=CC=C[C@@H]2O/C1=N\c1ccc(Cl)cc1 ZINC000095803158 EG Annotated Mild CC(=O)NC(=O)[C@H]1C=C2C=CC=C[C@@H]2O/C1=N\c1ccc(Cl)cc1 ZINC000095803159 EG Annotated Mild CC(=O)NC(=O)[C@@H]1C=C2C=CC=C[C@H]2O/C1=N\c1ccc(Cl)cc1 ZINC000095803160 EG Annotated Mild CC(=O)NC(=O)[C@H]1C=C2C=CC=C[C@H]2O/C1=N\c1ccc(Cl)cc1 ZINC000095803161 EG Annotated Mild CC1=C(C/C=N/NC(=O)c2ccc(C(=O)NO)cc2)C(C)(C)CCC1 ZINC000095808183 EG Annotated Reactive CC1=C(C/C=N/NC(=O)CCCCCC(=O)NO)C(C)(C)CCC1 ZINC000095808280 EG Annotated Reactive CC(C)=CCC[C@@H](C)C/C=N/NC(=O)CCCCCC(=O)NO ZINC000095808310 EG Annotated Reactive CC(C)=CCC[C@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1 ZINC000095808398 EG Annotated Reactive CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1 ZINC000095808580 EG Annotated Reactive CC1=C(C/C=N/NC(=O)c2cccc(C(=O)NO)c2)C(C)(C)CCC1 ZINC000095808783 EG Annotated Reactive CC(C)=CCC[C@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1 ZINC000095809318 EG Annotated Reactive CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1 ZINC000095809319 EG Annotated Reactive CC(C)=CCC[C@H](C)C/C=N/NC(=O)CCCCCC(=O)NO ZINC000095809380 EG Annotated Reactive CCCNC(=O)N1[C@H](C#N)[C@H](c2ccccc2C2=CCCC2)[C@@H]1CO ZINC000095867942 EG Annotated Mild CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2C2=CCCC2)[C@@H]1C#N ZINC000095867957 EG Annotated Mild CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2C2=CCCC2)[C@@H]1C#N ZINC000095867959 EG Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccccc2C2=CCCC2)[C@@H]1CO ZINC000095867970 EG Annotated Mild OC[C@H]1N[C@@H](CNCC2CCC2)[C@@H]1c1ccc(C2=CCCCC2)cc1 ZINC000095871683 EG Annotated Anodyne Fc1ccc(Cn2cc(CSc3nnc(C4CCC4)o3)nn2)cc1 ZINC000095872092 EG Annotated Anodyne c1ccc(Cn2cc(CSc3nnc(C4CCC4)o3)nn2)cc1 ZINC000095872093 EG Annotated Anodyne Cc1[nH]nc2c1[C@@H](c1cccc3nonc13)C1=C(CC(C)(C)CC1=O)N2 ZINC000095872422 EG Annotated Mild Cc1[nH]nc2c1[C@H](c1cccc3nonc13)C1=C(CC(C)(C)CC1=O)N2 ZINC000095872423 EG Annotated Mild CCOC(=O)N1C(=O)C2(CCCCC2)N(Cc2ccccc2)C1=S ZINC000095872949 EG Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCC2)N(c2ccc(C)cc2)C1=S ZINC000095872950 EG Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccccc2)C1=S ZINC000095872961 EG Annotated Anodyne CN1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095875305 EG Annotated Anodyne CN1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095875306 EG Annotated Anodyne CC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095877975 EG Annotated Anodyne CC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095877977 EG Annotated Anodyne CC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095877979 EG Annotated Anodyne CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO ZINC000095878172 EG Annotated Anodyne CCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095878173 EG Annotated Anodyne CCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095878174 EG Annotated Anodyne CCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 ZINC000095878175 EG Annotated Anodyne CC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095878800 EG Annotated Anodyne CC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095878801 EG Annotated Anodyne CC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878802 EG Annotated Anodyne O=C(Nc1ccccc1Cl)N1[C@@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 ZINC000095894208 EG Annotated Anodyne O=C(Nc1ccccc1Cl)N1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21 ZINC000095894209 EG Annotated Anodyne O=C(Nc1ccccc1Cl)N1[C@@H]2CNc3ccccc3[C@@H]2[C@@H]1CO ZINC000095894210 EG Annotated Anodyne O=C(Nc1ccccc1Cl)N1[C@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 ZINC000095894211 EG Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095894793 EG Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095894794 EG Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095894795 EG Annotated Anodyne OC[C@H]1N[C@@H](CNCC2CCC2)[C@@H]1c1ccc(C2=CCCC2)cc1 ZINC000095894901 EG Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095896073 EG Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095896074 EG Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095896075 EG Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095896076 EG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095896077 EG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095896078 EG Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095896079 EG Annotated Mild CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1C#N ZINC000095896157 EG Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccc(C3=CCCC3)cc2)[C@H]1CO ZINC000095896158 EG Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](C#N)N(C(=O)NC3CCCC3)[C@H]2CO)cc1 ZINC000095897822 EG Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@@H]2CO)cc1 ZINC000095897823 EG Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@H]2CO)cc1 ZINC000095897824 EG Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@@H]2CO)cc1 ZINC000095897825 EG Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NC3CCCC3)[C@H]2C#N)cc1 ZINC000095897826 EG Annotated Mild C[C@@]12OC[C@H]3OC4=C5C=C[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(CO1)[C@H]32 ZINC000095909489 EG Annotated Anodyne in-vitro biogenic CC(=O)O[C@@]1(CO)C[C@@]23CC[C@@H]4[C@H](O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000095909504 EG Annotated Anodyne in-vitro biogenic CC(C)=CCc1cc(/C=C/C(=O)O)c(O)c(C/C=C(/C)CO)c1O ZINC000095910663 EG Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@@]2(C)CC[C@]1(O)C3 ZINC000095910666 EG Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2 ZINC000095911246 EG Annotated Anodyne in-vitro biogenic COC(=O)C1=CCC[C@H]2[C@@H]1CC[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@@H]12 ZINC000095911254 EG Annotated Anodyne in-vitro biogenic CO[C@@H]1C(C=O)=CC[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@H]1O ZINC000095911664 EG Annotated Reactive in-vitro biogenic C=C1[C@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12 ZINC000095912092 EG Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC1=CC(=O)O[C@@H]1O ZINC000095912108 EG Annotated Mild in-vitro biogenic C/C(=C\Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)[C@H](O)C(C)(C)O ZINC000095912667 EG Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000095912772 EG Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2 ZINC000095912773 EG Annotated Anodyne in-vitro biogenic 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]2C[C@H]1O ZINC000095913618 EG Annotated Mild in-vitro biogenic C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)C1=CCC[C@@H]32 ZINC000095914462 EG Annotated Anodyne in-vitro biogenic C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@@H]3CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000095914492 EG Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@]12CC[C@]1(C=COC1)O2 ZINC000095914529 EG Annotated Anodyne in-vitro biogenic C[C@@H]1CC(=O)[C@]2(C)[C@@H](CC[C@@H]3O[C@@]32C)[C@]12C[C@@H](c1ccoc1)OC2=O ZINC000095914789 EG Annotated Anodyne in-vitro biogenic CC(C)C1=C[C@H](C=O)[C@@H]2C(=C1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O ZINC000095914874 EG Annotated Mild in-vitro biogenic C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000095915001 EG Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@H]12)C3 ZINC000095918657 EG Annotated Anodyne in-vitro biogenic CC1=C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(CCO)C5 ZINC000095918714 EG Annotated Anodyne in-vitro biogenic C=C1C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(CCO)C5 ZINC000095918715 EG Annotated Mild in-vitro biogenic CC1=C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15 ZINC000095918717 EG Annotated Anodyne in-vitro biogenic O=C1CCCC/C=C\CCNC(=O)c2c(O)cc(O)c(Cl)c2C1 ZINC000095920644 EG Annotated Anodyne O=C1CCCC/C=C/CCNC(=O)c2c(O)cc(O)c(Cl)c2C1 ZINC000095920645 EG Annotated Anodyne O=C1N=Cc2cc(OC[C@@H]3CNCC[C@H]3c3ccc(F)cc3)ccc21 ZINC000095920726 EG Annotated Anodyne CCO[C@@H]1C[C@@]2(C)OC[C@]3(C)CC[C@@H](C(C)(C)OC(C)=O)C[C@@]32O1 ZINC000096014361 EG Annotated Anodyne CCO[C@H]1C[C@@]2(C)OC[C@]3(C)CC[C@@H](C(C)(C)OC(C)=O)C[C@@]32O1 ZINC000096014364 EG Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3nccs3)C2)O1 ZINC000096018784 EG Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3ccccc3)C2)O1 ZINC000096019042 EG Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)C3CCCC3)C2)O1 ZINC000096019044 EG Annotated Anodyne CCOC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccccc3)C2)O1 ZINC000096019051 EG Annotated Anodyne CCOC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)C3CCCC3)C2)O1 ZINC000096019062 EG Annotated Anodyne CCCCN1CCCOc2cc(Br)ccc2S1(=O)=O ZINC000096019168 EG Annotated Anodyne O=C(NCc1ccccc1)OCCN1C(=O)CCC12CCCCC2 ZINC000096019296 EG Annotated Anodyne CCCCCCCCNS(=O)(=O)C[C@H]1NCc2ccc(C)cc21 ZINC000096020242 EG Annotated Anodyne CCCCCCCCNS(=O)(=O)C[C@@H]1NCc2ccc(C)cc21 ZINC000096020243 EG Annotated Anodyne CCCCCCCCNS(=O)(=O)C[C@H]1NCc2cc(F)ccc21 ZINC000096020256 EG Annotated Anodyne CCCCCCCCNS(=O)(=O)C[C@@H]1NCc2cc(F)ccc21 ZINC000096020257 EG Annotated Anodyne C=CCN1[C@@H](Cc2ccccc2)COc2cc(F)ccc2S1(=O)=O ZINC000096020534 EG Annotated Anodyne C=CCN1[C@H](Cc2ccccc2)COc2cc(F)ccc2S1(=O)=O ZINC000096020536 EG Annotated Anodyne C=CCN1[C@@H](Cc2ccccc2)COc2cccc(F)c2S1(=O)=O ZINC000096020537 EG Annotated Anodyne C/C1=C\CC[C@@](C)(O)/C=C/[C@@](O)(C(C)C)CCC2=C[C@@H](C1)OC2=O ZINC000096086055 EG Annotated Anodyne in-vitro C/C1=C\CC[C@](C)(O)/C=C/[C@@](O)(C(C)C)CCC2=C[C@@H](C1)OC2=O ZINC000096086056 EG Annotated Anodyne in-vitro COc1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2ccc(O)cc2)n1 ZINC000096086111 EG Annotated Anodyne COc1cc2c([nH]c3ccc(O)c(O)c32)c(Cc2ccc(O)cc2)n1 ZINC000096086112 EG Annotated Clean O=C(c1ccc2c(c1)OCO2)[C@H]1CO[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000096086390 EG Annotated Anodyne CC[C@@H]1N(Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2C ZINC000096092049 EG Annotated Anodyne Cc1ccc(CN2CC[C@H]3OCC[C@@H](c4nc(C)no4)[C@H]3C2)cc1 ZINC000096100078 EG Annotated Anodyne COc1ccc2c(c1)C1(CCN(Cc3ccoc3)CC1)N(C)CC2 ZINC000096100652 EG Annotated Anodyne Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC000096109316 EG Annotated Anodyne CC(=O)Oc1ccc(C2=NO[C@H](c3ccccc3)C2)c(OC(C)=O)c1 ZINC000096142530 EG Annotated Anodyne CC(=O)Oc1ccc(C2=NO[C@@H](c3ccccc3)C2)c(OC(C)=O)c1 ZINC000096142531 EG Annotated Anodyne Cc1nc(COC[C@H]2CCC[C@]23CN(CC2CC2)CCO3)cs1 ZINC000096160011 EG Annotated Anodyne CCN(CCO)Cc1ccc2oc3cccc4c(O)nnc(c2c1)c34 ZINC000096167437 EG Annotated Bother CCCOc1ccc([C@@H]2CNC(=O)N2c2ccn3ccnc3c2)cc1 ZINC000096168038 EG Annotated Anodyne CCCOc1ccc([C@H]2CNC(=O)N2c2ccn3ccnc3c2)cc1 ZINC000096168039 EG Annotated Anodyne NC(=O)c1ccc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)cc1 ZINC000096169196 EG Annotated Anodyne NC(=O)c1ccc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)cc1 ZINC000096169197 EG Annotated Anodyne Cn1nnc2cc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)ccc21 ZINC000096169286 EG Annotated Anodyne Cn1nnc2cc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)ccc21 ZINC000096169287 EG Annotated Anodyne O=C(c1ccc2[nH]cnc2n1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21 ZINC000096169302 EG Annotated Anodyne O=C(c1ccc2[nH]cnc2n1)N1CCC[C@H]2c3ccccc3CC[C@@H]21 ZINC000096169303 EG Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2C1 ZINC000096169401 EG Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2C1 ZINC000096169402 EG Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2N1 ZINC000096169403 EG Annotated Anodyne O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2N1 ZINC000096169404 EG Annotated Anodyne NC1=Nc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2C1 ZINC000096169418 EG Annotated Anodyne NC1=Nc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2C1 ZINC000096169419 EG Annotated Anodyne O=C1C=Nc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2C1 ZINC000096169461 EG Annotated Anodyne O=C1C=Nc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2C1 ZINC000096169462 EG Annotated Anodyne CCC[C@@]1(O)C[C@@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000096169528 EG Annotated Anodyne COc1ccccc1CNc1cccn2nc(Nc3cccnc3)nc12 ZINC000096169900 EG Annotated Anodyne COc1ccccc1CNc1cccn2nc(Nc3ccncc3)nc12 ZINC000096169901 EG Annotated Anodyne O=C(CSc1cc(Cl)ccc1Cl)NN/C=C1/C=CC=N1 ZINC000096170011 EG Annotated Reactive CO/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096170303 EG Annotated Mild CO/N=C(\C)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1 ZINC000096170306 EG Annotated Mild O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1cc(F)cc(F)c1F ZINC000096172354 EG Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(Cl)cn3)C2)cc1 ZINC000096172920 EG Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(C)cn3)C2)cc1 ZINC000096172964 EG Annotated Anodyne CC1CCC(NCc2ccn(Cc3ccccc3)c(=O)c2O)CC1 ZINC000096173242 EG Annotated Anodyne C[C@H](NCc1ccn(Cc2ccccc2)c(=O)c1O)c1ccccc1 ZINC000096173243 EG Annotated Anodyne C[C@@H](NCc1ccn(Cc2ccccc2)c(=O)c1O)c1ccccc1 ZINC000096173244 EG Annotated Anodyne Nc1cc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)ccn1 ZINC000096173934 EG Annotated Anodyne Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cn1 ZINC000096173936 EG Annotated Anodyne c1cc(NC2CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096174945 EG Annotated Anodyne c1cc(OC2CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096174953 EG Annotated Anodyne CC(C)(CN)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096174964 EG Annotated Anodyne CC(C)COc1cccc2ccc(-c3nnc4cc(CN)ccn34)nc12 ZINC000096174966 EG Annotated Anodyne OCC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1 ZINC000096174968 EG Annotated Anodyne CC(C)(CO)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096174970 EG Annotated Anodyne CC[C@@H](CO)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096175120 EG Annotated Anodyne CC[C@H](CO)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096175121 EG Annotated Anodyne O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(F)ccc1F ZINC000096175669 EG Annotated Anodyne N#CCc1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1 ZINC000096176037 EG Annotated Mild CN(C)c1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1 ZINC000096176038 EG Annotated Anodyne c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)c2cc[nH]c2c1 ZINC000096176042 EG Annotated Anodyne CC(C)(C)c1cc(F)ccc1OC1CN(C(=O)c2ccccn2)C1 ZINC000096177562 EG Annotated Anodyne Cc1cc(C)n2nc([C@@H]3C[C@@H]3c3nc(-c4ccccc4)cn3C)nc2n1 ZINC000096177987 EG Annotated Anodyne Cc1cc(C)n2nc([C@H]3C[C@@H]3c3nc(-c4ccccc4)cn3C)nc2n1 ZINC000096177988 EG Annotated Anodyne Cc1cc(C)n2nc([C@@H]3C[C@H]3c3nc(-c4ccccc4)cn3C)nc2n1 ZINC000096177989 EG Annotated Anodyne Cc1cc(C)n2nc([C@H]3C[C@H]3c3nc(-c4ccccc4)cn3C)nc2n1 ZINC000096177990 EG Annotated Anodyne CN(c1cncnc1)c1ccnc(C(=O)Cc2cccc(Cl)n2)c1 ZINC000096178172 EG Annotated Anodyne O=C(Cc1cccc(Cl)n1)c1cc(Oc2cncnc2)ccn1 ZINC000096178179 EG Annotated Anodyne O=C(Cc1ccc(Cl)cn1)c1cc(Oc2cncnc2)ccn1 ZINC000096178180 EG Annotated Anodyne O=C(Cc1cc(Cl)ccn1)c1cc(Oc2cncnc2)ccn1 ZINC000096178189 EG Annotated Anodyne O=C(Cc1nc(C(F)F)cs1)c1cc(Oc2cncnc2)ccn1 ZINC000096178196 EG Annotated Anodyne O=C(Cc1ccc(F)c(CF)n1)c1cc(Oc2cncnc2)ccn1 ZINC000096178200 EG Annotated Anodyne Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Oc4cccc2c43)no1 ZINC000096178940 EG Annotated Anodyne O=C(Nc1ccccn1)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 ZINC000096178944 EG Annotated Anodyne Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CCN(C(C)C)CC1 ZINC000096241787 EG Annotated Anodyne Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CCN(C(C)C)CC1 ZINC000096241788 EG Annotated Anodyne CC(C)c1ccc(CCn2c(O)cc(=O)n(C3CCCC3)c2=O)cc1 ZINC000096270106 EG Annotated Anodyne c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 ZINC000096271309 EG Annotated Anodyne Cc1cncn1CCCNC(=S)Nc1cccc2ncccc12 ZINC000096271473 EG Annotated Anodyne Cc1nc2cc(NC(=S)NCCCn3cncc3C)ccc2o1 ZINC000096271485 EG Annotated Anodyne Fc1ccc(CSc2nnc(Cn3nnc4ccccc43)o2)cc1 ZINC000096271742 EG Annotated Anodyne Fc1cccc(CSc2nnc(Cn3nnc4ccccc43)o2)c1 ZINC000096271748 EG Annotated Anodyne Fc1ccccc1CSc1nnc(Cn2nnc3ccccc32)o1 ZINC000096271754 EG Annotated Anodyne C[C@@H]1CN(c2cccnc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000096272421 EG Annotated Anodyne CC1CC(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)C1 ZINC000096272973 EG Annotated Mild O=C(N1CCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1 ZINC000096273041 EG Annotated Mild C[C@H](NC1=NS(=O)(=O)C(C)(C)C(C)(C)O1)c1ccccc1Cl ZINC000096273931 EG Annotated Anodyne CC1(C)CC(NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2)CC(C)(C)C1 ZINC000096273952 EG Annotated Anodyne CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cc2n1C ZINC000096283488 EG Annotated Anodyne CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cc2o1 ZINC000096283491 EG Annotated Anodyne N#Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1F ZINC000096284280 EG Annotated Mild N#C[C@H]1CCC[C@H]1Nc1nc(-c2ccccc2)nc2c(=O)[nH]ccc12 ZINC000096285213 EG Annotated Mild NCCNc1ccn2ncc(-c3cccc(-c4ccccc4)c3)c2n1 ZINC000096286355 EG Annotated Anodyne N#C[C@@]12C(O)=NC(=O)[C@]1(C#N)C1=C(CCCC1)O[C@@H]2c1ccccc1 ZINC000096336772 EG Annotated Mild N#C[C@@]12C(O)=NC(=O)[C@]1(C#N)C1=C(CCCC1)O[C@H]2c1ccccc1 ZINC000096336773 EG Annotated Mild N#C[C@]12C(=O)N=C(O)[C@]1(C#N)[C@@H](c1ccccc1)OC1=C2CCCC1 ZINC000096336776 EG Annotated Mild N#C[C@]12C(=O)N=C(O)[C@]1(C#N)[C@H](c1ccccc1)OC1=C2CCCC1 ZINC000096336777 EG Annotated Mild Cc1ccc(C(=O)c2c(C(=O)O)oc3cc(C#N)c(C#N)cc23)cc1 ZINC000096336800 EG Annotated Mild CCOc1ccc(C(=O)N2CCc3[nH]nc(-c4ccco4)c3C2)cc1 ZINC000096837027 EG Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)CO[C@H](C1=CCOC1=O)C3 ZINC000096888356 EG Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2O)c1 ZINC000096892595 EG Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2O)c1 ZINC000096892596 EG Annotated Anodyne CC(C)[C@@H](N[C@H]1c2ccccc2OC(C)(C)[C@@H]1O)C(=O)OC(C)(C)C ZINC000096892941 EG Annotated Anodyne COC(=O)[C@@H]1Cc2c([nH]c3ncc(C)cc23)[C@H](C2CCCCC2)N1 ZINC000096900545 EG Annotated Anodyne COC(=O)[C@@H]1Cc2c([nH]c3ncc(C)cc23)[C@@H](C2CCCCC2)N1 ZINC000096900546 EG Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ncc(C)cc23)[C@H](C2CCCCC2)N1 ZINC000096900547 EG Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ncc(C)cc23)[C@@H](C2CCCCC2)N1 ZINC000096900548 EG Annotated Anodyne CC(C)c1ccc(-c2cc(Cl)cc(C(=O)Nc3nnn[nH]3)n2)cc1 ZINC000096901298 EG Annotated Anodyne Cc1cc(N2CC=CCC2)nc(/N=C(\N)Nc2ccc(Cl)cc2)n1 ZINC000096902283 EG Annotated Mild Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccn3)ccc12 ZINC000096905469 EG Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccn3)ccc12 ZINC000096905470 EG Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3cccnc3)ccc12 ZINC000096905471 EG Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccnc3)ccc12 ZINC000096905472 EG Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccncc3)ccc12 ZINC000096905473 EG Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccncc3)ccc12 ZINC000096905474 EG Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccco3)ccc12 ZINC000096905479 EG Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccco3)ccc12 ZINC000096905480 EG Annotated Anodyne Cn1c(N)nc([C@H]2C[C@H]2c2cccc(C#Cc3ccccc3)c2)cc1=O ZINC000096906346 EG Annotated Mild COc1ccc(Cn2cc(C#N)c(=O)c3c(F)ccc(F)c32)cc1 ZINC000096906436 EG Annotated Mild Cn1c(N)nc([C@H]2C[C@H]2c2cccc(-c3cccc(F)c3)c2)cc1=O ZINC000096907167 EG Annotated Anodyne Cn1c(N)nc([C@H]2C[C@H]2c2cccc(Cc3ccccc3)c2)cc1=O ZINC000096907170 EG Annotated Anodyne Cn1c(N)nc([C@H]2C[C@H]2c2cccc(CCc3ccccc3)c2)cc1=O ZINC000096907171 EG Annotated Anodyne O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCCCC3 ZINC000096907907 EG Annotated Clean O=c1[nH]c(-c2cccc(O)c2O)nc2sc3c(c12)CCCCC3 ZINC000096907910 EG Annotated Clean O=c1[nH]c(-c2cc(O)ccc2O)nc2sc3c(c12)CCCCC3 ZINC000096907913 EG Annotated Anodyne O=c1[nH]c(-c2cc(O)cc(O)c2)nc2sc3c(c12)CCCCC3 ZINC000096907915 EG Annotated Anodyne Nc1ccc(Cl)cc1C1=NN(C(=O)CCc2ccccc2)CC1 ZINC000096907965 EG Annotated Anodyne CCOP(=O)(CCC(=O)Nc1nc(C)c(C(C)=O)s1)OCC ZINC000096907997 EG Annotated Anodyne N/C(=N\O)c1cccc(-c2cccc(-c3cccc(/C(N)=N\O)c3)c2)c1 ZINC000096908124 EG Annotated Mild N/C(=N/O)c1ccc(-c2cccc(-c3ccc(/C(N)=N\O)cc3)c2)cc1 ZINC000096908766 EG Annotated Mild CC(C)C[C@@]1(C)OC(=O)c2c1ccn(C[C@H](O)c1ccccc1)c2=O ZINC000096909519 EG Annotated Anodyne CC(C)C[C@]1(C)OC(=O)c2c1ccn(C[C@H](O)c1ccccc1)c2=O ZINC000096909520 EG Annotated Anodyne CC(C)C[C@@]1(C)OC(=O)c2c1ccn(C[C@@H](O)c1ccccc1)c2=O ZINC000096909521 EG Annotated Anodyne CC(C)C[C@]1(C)OC(=O)c2c1ccn(C[C@@H](O)c1ccccc1)c2=O ZINC000096909522 EG Annotated Anodyne O=C1OCc2cc3ccc4c(c3c(-c3ccc(O)c(O)c3)c21)OCO4 ZINC000096909752 EG Annotated Clean N#Cc1c(-c2ccc([N+](=O)[O-])cc2)nc(S)nc1N1CCCCC1 ZINC000096910385 EG Annotated Mild CCN(CC)CCSc1nc(O)c(C#N)c(-c2ccccc2)n1 ZINC000096910390 EG Annotated Mild Cc1cc(C)nc(SCn2cnc3c(Cl)cccc3c2=O)n1 ZINC000096910568 EG Annotated Anodyne Cc1cccc(C)c1N/N=C1/C(=O)c2cccc([N+](=O)[O-])c2N=C1O ZINC000096910601 EG Annotated Mild Cc1cccc(N/N=C2/C(=O)c3cccc([N+](=O)[O-])c3N=C2O)c1C ZINC000096910609 EG Annotated Mild COc1cc(C)c2c3c1O[C@H]1[C@H](F)[C@H](C)C[C@H]4[C@@H](C2)N(C)CC[C@@]341 ZINC000096910744 EG Annotated Anodyne CCCNc1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 ZINC000096910795 EG Annotated Bother CCN(CC)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1 ZINC000096910798 EG Annotated Bother O=c1nc(NC2CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000096910799 EG Annotated Bother O=c1nc(N2CCCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000096910801 EG Annotated Bother Cc1cc(C)c2c(=O)n(CCOC(=O)Nc3ccccc3)sc2n1 ZINC000096910913 EG Annotated Anodyne Cc1cc(C)c2c(=O)n(CCOCCOc3ccccc3)sc2n1 ZINC000096910914 EG Annotated Anodyne Nc1nnc(SCc2cc(=O)c3cc(Cl)ccc3o2)s1 ZINC000096911291 EG Annotated Anodyne Cc1cc(C)n2nc(SCc3cc(=O)c4ccccc4o3)nc2n1 ZINC000096911312 EG Annotated Anodyne CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000096913472 EG Annotated Bother CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000096913473 EG Annotated Bother CC(=O)NC1=C(Cl)C(=O)c2cc3c(cc2C1=O)CCCC3(C)C ZINC000096914038 EG Annotated Mild Cc1ccccc1C(=O)OCCOC1=C(c2ccccc2)C(=O)OC1 ZINC000096914275 EG Annotated Anodyne Cc1cccc(C(=O)OCCOC2=C(c3ccccc3)C(=O)OC2)c1 ZINC000096914281 EG Annotated Anodyne Cc1ccc(C(=O)OCCOC2=C(c3ccccc3)C(=O)OC2)cc1 ZINC000096914284 EG Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2c2ccc(O)cc2)c(OC)c1 ZINC000096915208 EG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2c2ccc(O)cc2)c(OC)c1 ZINC000096915209 EG Annotated Anodyne O=C1c2ccccc2O[C@@H](c2ccc(Cl)cc2)[C@@H]1n1cncn1 ZINC000096916640 EG Annotated Anodyne O=C1c2ccccc2O[C@@H](c2cccc(Cl)c2)[C@@H]1n1cncn1 ZINC000096916648 EG Annotated Anodyne O=C1c2ccccc2O[C@@H](c2ccccc2Cl)[C@@H]1n1cncn1 ZINC000096916654 EG Annotated Anodyne O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(-c3cncnc3)cc1)O2 ZINC000096916759 EG Annotated Mild O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1cccc(Br)c1)O2 ZINC000096916775 EG Annotated Mild O=C1C=C[C@@]2(C=C1Cl)OC[C@H](c1cccc(Br)c1)O2 ZINC000096916777 EG Annotated Mild O=C1C=C[C@]2(C=C1Cl)OC[C@@H](c1cccc(Br)c1)O2 ZINC000096916779 EG Annotated Mild O=C1C=C[C@]2(C=C1Cl)OC[C@H](c1cccc(Br)c1)O2 ZINC000096916780 EG Annotated Mild O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(Br)cc1)O2 ZINC000096916782 EG Annotated Mild O=C1C=C[C@@]2(C=C1Cl)OC[C@H](c1ccc(Br)cc1)O2 ZINC000096916784 EG Annotated Mild O=C1C=C[C@]2(C=C1Cl)OC[C@@H](c1ccc(Br)cc1)O2 ZINC000096916786 EG Annotated Mild O=C1C=C[C@]2(C=C1Cl)OC[C@H](c1ccc(Br)cc1)O2 ZINC000096916788 EG Annotated Mild Cc1ccc(-c2c3c(nc4ncnn24)-c2ccccc2C(=O)C3=O)cc1 ZINC000096917424 EG Annotated Clean CN(C)CCNC(=O)c1cc2c3ccccc3oc2c2cccnc12 ZINC000096921324 EG Annotated Bother O=C(c1ccccc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cccc(F)c1 ZINC000096921515 EG Annotated Anodyne CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2cccnc12 ZINC000096921555 EG Annotated Bother N#Cc1cccc(-c2c(C(=O)c3ccccc3)[nH]c3nc[nH]c(=O)c23)c1 ZINC000096921743 EG Annotated Mild O=c1cc(CCl)oc(CN2CC=C(c3ccccc3)CC2)c1O ZINC000096922494 EG Annotated Reactive COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccsc1 ZINC000096922571 EG Annotated Clean C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000096923689 EG Annotated Anodyne Nc1cccc(C#Cc2ccc3c(c2)nc(C(=O)O)c2cccn23)c1 ZINC000096923829 EG Annotated Mild O=C(Cc1ccsc1)Nc1ccc2cc(C(=O)NO)sc2c1 ZINC000096924304 EG Annotated Anodyne CN1CCN(Cc2cccc3c(=O)c4ccc(Cl)cc4oc23)CC1 ZINC000096926902 EG Annotated Bother CCc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1 ZINC000096927037 EG Annotated Anodyne CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)C[C@@H]2[C@@]1(O)C#N)[C@@H](C)C3=O ZINC000096928260 EG Annotated Reactive CO[C@H]1[C@@H]2C(=O)C(C)=CC3=C[C@H](C)C[C@@]34O[C@]2(CC1(C)C)[C@@H](C)C4=O ZINC000096928275 EG Annotated Mild CCCCn1c(C)c(C)cc(NS(=O)(=O)c2ccccc2)c1=O ZINC000096928367 EG Annotated Anodyne CC1=CC(=O)O[C@H](/C=C(\C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 ZINC000096929318 EG Annotated Mild CC1=CC(=O)O[C@@H](/C=C(\C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1 ZINC000096929319 EG Annotated Mild COc1ccc(C(=O)Cc2cc(O)c3c(c2)OCC(C)=CC3=O)cc1 ZINC000096929681 EG Annotated Mild Cc1n(Cc2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(O)cc1 ZINC000096930225 EG Annotated Mild COc1ccc(C(=O)C[n+]2ccn(Cc3cc4ccccc4o3)c2)cc1 ZINC000096930240 EG Annotated Mild O=C(C[n+]1ccn(Cc2cc3ccccc3o2)c1)c1ccc(O)cc1 ZINC000096930241 EG Annotated Mild CCOC(=O)/C(C#N)=C(\CC(=O)c1ccccc1)N1CCCCC1 ZINC000096932229 EG Annotated Reactive CC(=O)c1ccc([C@@]2(C)OC(c3ccc(C)nc3)=NN2C(C)=O)cc1 ZINC000096932236 EG Annotated Anodyne CC(=O)c1ccc([C@]2(C)OC(c3ccc(C)nc3)=NN2C(C)=O)cc1 ZINC000096932237 EG Annotated Anodyne Cc1cc(C)n(-c2nc(S)nc(-c3ccc(F)cc3)c2C#N)n1 ZINC000096932366 EG Annotated Mild C[C@@H]1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]1(O)CCC1=CCOC1=O ZINC000096932723 EG Annotated Anodyne Cc1nc2c(C#N)c(-c3ccc(Br)cc3)nc(S)n2n1 ZINC000096932754 EG Annotated Mild Cc1nnc2c(C#N)c(-c3ccc(Br)cc3)nc(S)n12 ZINC000096932760 EG Annotated Mild CN1C(=O)C[C@@](C)([C@@H]2C[C@H]2c2cccc(-c3cccs3)c2)N=C1N ZINC000096932947 EG Annotated Anodyne C=CCn1c(=O)c(N/N=C/c2ccc(N(C)C)cc2)nc2ccccc21 ZINC000096933304 EG Annotated Mild COc1ccc(C(=O)Cc2ccncc2)c2cc(C(F)(F)F)nn12 ZINC000096933405 EG Annotated Anodyne C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)F ZINC000096933552 EG Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cc1)C(C)(C)O ZINC000096933596 EG Annotated Mild Cc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 ZINC000096933728 EG Annotated Anodyne CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(F)cc2)cc1 ZINC000096933730 EG Annotated Anodyne O=c1[nH]nc2n1-c1ccc(OCc3ccccc3Cl)cc1SC2 ZINC000096933882 EG Annotated Anodyne O=C1O[C@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@@H]4O3 ZINC000096934029 EG Annotated Reactive O=C1O[C@@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@@H]4O3 ZINC000096934030 EG Annotated Reactive O=C1O[C@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@H]4O3 ZINC000096934031 EG Annotated Reactive O=C1O[C@@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@H]4O3 ZINC000096934032 EG Annotated Reactive CCOC1=C(N(CC)Cc2cccnc2)C(=O)c2ccccc2C1=O ZINC000096934156 EG Annotated Mild CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccccn1 ZINC000096934705 EG Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccccn1 ZINC000096934706 EG Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cccnc1 ZINC000096934707 EG Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cccnc1 ZINC000096934708 EG Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cccnc1 ZINC000096934709 EG Annotated Clean COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(O)cc1 ZINC000096935156 EG Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(O)cc1 ZINC000096935157 EG Annotated Anodyne COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(O)cc1 ZINC000096935158 EG Annotated Anodyne COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccc(O)cc1 ZINC000096935159 EG Annotated Anodyne CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1cccc(Cl)c1F ZINC000096935261 EG Annotated Anodyne CC(=O)N1N=C(c2ccc(C)nc2)O[C@@H]1c1cccc(Cl)c1F ZINC000096935262 EG Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@@H]1CCCN1C(=S)N2c1ccccc1 ZINC000096935385 EG Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@H]1CCCN1C(=S)N2c1ccccc1 ZINC000096935386 EG Annotated Anodyne COC(=O)c1sc2cccnc2c1Nc1ccc(OC)cc1N ZINC000096937296 EG Annotated Anodyne O=C1c2cccc(O)c2C2=N[C@H](CCCCCO)Oc3cccc1c32 ZINC000096937630 EG Annotated Clean O=C1c2cccc(O)c2C2=N[C@@H](CCCCCO)Oc3cccc1c32 ZINC000096937631 EG Annotated Clean Cc1csc([C@@H]2[C@@H](O)C(=O)C=CN2C(=O)Oc2ccccc2)c1 ZINC000096938196 EG Annotated Mild Cc1csc([C@H]2NC=CC(=O)[C@@H]2OC(=O)N(C)c2ccccc2)c1 ZINC000096938205 EG Annotated Mild Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)cn1 ZINC000096938689 EG Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(O)[nH]c2ccccc2c1=O ZINC000096938804 EG Annotated Mild COc1cccc(CCCCCCCc2cccc(OC)[n+]2C)[n+]1C ZINC000096938823 EG Annotated Anodyne Cc1cc(=O)oc2c(-c3nn(-c4ccccc4)cc3C=O)c(O)ccc12 ZINC000096939309 EG Annotated Anodyne N=C(NCCCCN1CCCCC1)SCCCN1CCCCC1 ZINC000096939848 EG Annotated Anodyne C/C=C(/C)C(=O)N[C@@H](CC(=O)O)c1cccc(Br)c1 ZINC000097035450 EG Annotated Anodyne C/C=C(/C)C(=O)N[C@H](CC(=O)O)c1cccc(Br)c1 ZINC000097035451 EG Annotated Anodyne CCCc1nc(N2CCN(C)CC2)nc2c1Nc1ccccc1S2 ZINC000098081965 EG Annotated Anodyne CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccccc3)o2)n1 ZINC000098082309 EG Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4nncn4C=N[C@@H]32)cc1 ZINC000098082891 EG Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@@H]32)cc1 ZINC000098082892 EG Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4nncn4C=N[C@H]32)cc1 ZINC000098082893 EG Annotated Anodyne Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@H]32)cc1 ZINC000098082894 EG Annotated Anodyne COc1ccc(N2C=C(c3ccccc3)[C@H]3c4nncn4C=N[C@@H]32)cc1 ZINC000098082895 EG Annotated Anodyne COc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@@H]32)cc1 ZINC000098082896 EG Annotated Anodyne COc1ccc(N2C=C(c3ccccc3)[C@H]3c4nncn4C=N[C@H]32)cc1 ZINC000098082897 EG Annotated Anodyne COc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@H]32)cc1 ZINC000098082898 EG Annotated Anodyne O=S(=O)(O)c1cc(O)c(/N=C/c2cccc(O)c2)c2ccccc12 ZINC000098083298 EG Annotated Mild CCc1c(Sc2ccccc2)n(OC2CCCCC2)c(=O)[nH]c1=O ZINC000098083472 EG Annotated Anodyne CN1CCCN(C2=C3C(=N[C@H]4C=CC=C[C@@H]34)N(C)c3ccccc32)CC1 ZINC000098083504 EG Annotated Anodyne O=C1c2nccnc2C(=O)N1c1c(Cl)cc(Cl)cc1Cl ZINC000098083664 EG Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccccc2O)o1 ZINC000098083665 EG Annotated Mild CCOCc1c(OC)cc2c(c1OC)C(=O)c1ccccc1C2=O ZINC000098083744 EG Annotated Clean C[C@H]1SCC(=O)N1c1nnc2c3cc(Cl)ccc3nc-2s1 ZINC000098083750 EG Annotated Anodyne C[C@@H]1SCC(=O)N1c1nnc2c3cc(Cl)ccc3nc-2s1 ZINC000098083751 EG Annotated Anodyne COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1OC ZINC000098084179 EG Annotated Bother COc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1OC ZINC000098084180 EG Annotated Bother Nc1ccc(C2(c3ccc(N)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000098084409 EG Annotated Clean Cc1nc2ccccc2c(=O)n1NC(=O)/C(Cl)=C/c1ccccc1 ZINC000098084834 EG Annotated Anodyne O=C1N/C(=N\c2nccs2)S/C1=C\c1ccc([N+](=O)[O-])s1 ZINC000098084965 EG Annotated Mild O=c1c2ccccc2c2ccccc2c(=O)n1CCc1ccccn1 ZINC000098085449 EG Annotated Bother COc1cc2c(c(O)c1CBr)C(=O)c1ccccc1C2=O ZINC000098085546 EG Annotated Reactive COc1ccc([C@H]2Nc3ccccc3N[C@H]2c2ccc(=O)[nH]n2)cc1 ZINC000098085580 EG Annotated Clean COc1ccc([C@@H]2Nc3ccccc3N[C@H]2c2ccc(=O)[nH]n2)cc1 ZINC000098085581 EG Annotated Clean COc1ccc([C@H]2Nc3ccccc3N[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000098085582 EG Annotated Clean COc1ccc([C@@H]2Nc3ccccc3N[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000098085583 EG Annotated Clean COC(=O)c1cc(/N=N/c2sc(N)nc2C)cc(C(=O)OC)c1 ZINC000098085863 EG Annotated Clean Oc1cc(O)c(-c2nnc3ccc(Br)cn23)cc1Cl ZINC000098209600 EG Annotated Anodyne