CC[C@@H](C)OC(=O)C1=C(C)O[C@@]23OC(N)=C(C#N)[C@@]12C(=O)c1ccccc13 ZINC000001026740 FE Annotated Reactive Cc1cc(NC(=O)Cc2cccs2)nn1CC(=O)NCc1ccco1 ZINC000001060938 FE Annotated Anodyne NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 ZINC000001150014 FE Annotated Anodyne CC(C)(O)C#Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000001170866 FE Annotated Mild C#C[C@@](O)(c1ccc(N2CCOCC2)cc1)c1ccc(OC)cc1OC ZINC000001269686 FE Annotated Mild C#C[C@](O)(c1ccc(N2CCOCC2)cc1)c1ccc(OC)cc1OC ZINC000001269687 FE Annotated Mild COc1cccc(/C=N\n2c(S)nnc2-c2[nH]nc3c2CCC3)c1OC ZINC000001275953 FE Annotated Mild c1cc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)ccn1 ZINC000001336146 FE Annotated Anodyne CS(=O)(=O)NCc1nnc(SCc2c(F)cccc2Cl)o1 ZINC000001337640 FE Annotated Anodyne CS(=O)(=O)NCc1nnc(SCc2ccccc2C(F)(F)F)o1 ZINC000001337647 FE Annotated Anodyne CS(=O)(=O)NCc1nnc(SCc2ccc(C(F)(F)F)cc2)o1 ZINC000001337648 FE Annotated Anodyne OC1CCN(c2ncnc3c2nnn3Cc2c(F)cccc2Cl)CC1 ZINC000001347384 FE Annotated Anodyne O=C(CCn1nnc2ccccc21)N1CCC(O)(c2cccc(F)c2)CC1 ZINC000001347925 FE Annotated Anodyne COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000001381063 FE Annotated Anodyne COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000001381064 FE Annotated Anodyne COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000001381065 FE Annotated Anodyne COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000001381066 FE Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H]1CC=CC[C@@H]1C(=O)OCC(F)(F)C(F)F ZINC000001446325 FE Annotated Anodyne O=c1[nH]c2cc(Br)c(Br)c([N+](=O)[O-])c2nc1O ZINC000001484689 FE Annotated Bother CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccco2)nc1 ZINC000001491301 FE Annotated Anodyne OC[C@H]1CCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000010257284 FE Annotated Anodyne N=C(N)c1ccc(-c2ccc([C@]3(O)CC[C@@](O)(CC(=O)O)CC3)cn2)cc1 ZINC000100043586 FE Annotated Anodyne Cc1cc2c(s1)C(C(=O)Nc1ccccn1)=C(O)N(S)S2(=O)=O ZINC000100055371 FE Annotated Anodyne CO[C@H](CN1CCN(c2ccccn2)CC1)/C(=N\O)c1cccc(C)c1 ZINC000100064526 FE Annotated Mild CO[C@@H](CN1CCN(c2ccccn2)CC1)/C(=N\O)c1cccc(C)c1 ZINC000100064528 FE Annotated Mild CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100076046 FE Annotated Anodyne in-vitro C=CCN1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100082744 FE Annotated Mild CC(=O)O[C@@H]1[C@@H]2[C@H]3C[C@H]4C5=Nc6ccccc6[C@]51C[C@@H]2N4[C@@H](C)[C@@H]3CO ZINC000100086098 FE Annotated Anodyne in-vitro CS(=O)(=O)N1C[C@@H]2[C@@H](c3ccccc3)[C@H](C1)N2Cc1ccc(F)cc1 ZINC000100087522 FE Annotated Anodyne CS(=O)(=O)N1C[C@@H]2[C@H](c3ccccc3)[C@H](C1)N2Cc1ccc(F)cc1 ZINC000100089046 FE Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100107810 FE Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100107812 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2c(C)noc2C)cc1 ZINC000100108653 FE Annotated Anodyne CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 ZINC000100108924 FE Annotated Anodyne CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 ZINC000100108927 FE Annotated Anodyne CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O ZINC000100186241 FE Annotated Bother in-man CCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2cc(Br)ccc21 ZINC000100192354 FE Annotated Reactive COC1=C[C@]23CCN(C)[C@@H](CC2=CC1=O)Cc1cc(O)c(OC)c(OC)c13 ZINC000100196605 FE Annotated Mild in-vitro C/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100197338 FE Annotated Anodyne in-vitro C/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100197342 FE Annotated Anodyne in-vitro C/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5[C@@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100197347 FE Annotated Anodyne in-vitro C/C=C1\[C@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100197350 FE Annotated Anodyne in-vitro C/C=C1\[C@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100198728 FE Annotated Anodyne in-vitro C/C=C1\[C@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100198730 FE Annotated Anodyne in-vitro CC[C@H]1[C@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100198951 FE Annotated Anodyne in-vitro CC[C@H]1[C@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100198953 FE Annotated Anodyne in-vitro CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100199778 FE Annotated Anodyne in-vitro CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000100199783 FE Annotated Anodyne in-vitro CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000100201647 FE Annotated Anodyne in-vitro CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000100201652 FE Annotated Anodyne in-vitro CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000100201654 FE Annotated Anodyne in-vitro CCOC(=O)[C@@]12C(N)=NC(=C(C#N)C#N)[C@@]1(C#N)[C@H]2c1ccccc1Cl ZINC000100257571 FE Annotated Reactive CCOC(=O)[C@@]12C(N)=NC(=C(C#N)C#N)[C@@]1(C#N)[C@@H]2c1ccccc1Cl ZINC000100257578 FE Annotated Reactive C=C[C@H]1[C@@H]2C(C)=C[C@H]([C@H]3C(=O)N(C)C(=O)[C@H]23)N1Cc1ccc(OC)cc1 ZINC000100264326 FE Annotated Mild C=C[C@H]1[C@@H]2C(C)=C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@H]23)N1Cc1ccc(OC)cc1 ZINC000100264331 FE Annotated Mild C=C(C(=O)/C=C/C(C)(C)O)[C@@H]1C[C@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C ZINC000100265909 FE Annotated Mild C=C(C(=O)/C=C/C(C)(C)O)[C@H]1C[C@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C ZINC000100265912 FE Annotated Mild COC(=O)c1cc(C)cc(OC)c1[C@H]1C(=O)C(=O)c2c(O)cccc2C1=O ZINC000100268185 FE Annotated Clean COC(=O)c1cc(C)cc(OC)c1[C@@H]1C(=O)C(=O)c2c(O)cccc2C1=O ZINC000100268188 FE Annotated Clean Cc1ccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 ZINC000100286772 FE Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 ZINC000100286774 FE Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 ZINC000100286776 FE Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN(C)C)o1 ZINC000100286780 FE Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@H]1c1ccco1 ZINC000100297978 FE Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccco1 ZINC000100297982 FE Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@H]1c1ccco1 ZINC000100297987 FE Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cccs2)[C@@H]1c1ccco1 ZINC000100297994 FE Annotated Anodyne CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@H]2C=C(CO)CC[C@H]21 ZINC000100304463 FE Annotated Mild in-vitro CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@H]2C=C(CO)CC[C@@H]21 ZINC000100304468 FE Annotated Mild in-vitro CC1(C)OC(C)(C)/C(=C\NCCN/C=C2/C(=O)C(C)(C)OC2(C)C)C1=O ZINC000100376078 FE Annotated Mild in-man COc1ccccc1[C@@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCO ZINC000100446686 FE Annotated Mild COc1ccccc1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCO ZINC000100446690 FE Annotated Mild COc1ccccc1[C@@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1C[C@H](C)O ZINC000100446706 FE Annotated Mild COc1ccccc1[C@@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O ZINC000100446710 FE Annotated Mild COc1ccccc1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1C[C@H](C)O ZINC000100446714 FE Annotated Mild COc1ccccc1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O ZINC000100446718 FE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000100455407 FE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000100455411 FE Annotated Mild CC(=O)N1N/C(=C2/C=CC=CC2=O)O[C@]1(C)CC(=O)Nc1ccccc1 ZINC000100466818 FE Annotated Mild CC(=O)N1N/C(=C2/C=CC=CC2=O)O[C@@]1(C)CC(=O)Nc1ccccc1 ZINC000100466824 FE Annotated Mild C[C@@H](C(=O)/N=c1\sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000100468430 FE Annotated Anodyne C[C@@H](C(=O)/N=c1\sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000100468436 FE Annotated Anodyne C[C@H](C(=O)/N=c1\sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000100468441 FE Annotated Anodyne CC(C)=C(NC(=O)c1ccccc1)C(=O)NN/C(C)=C1\C=CC=CC1=O ZINC000100489414 FE Annotated Reactive CCOC(=O)C1=Nc2ccc(Cl)cc2/C1=N/NN1CCSCC1 ZINC000100491768 FE Annotated Mild CCCOC(=O)c1ccc(OC2=CNN/C2=C2\C=CC(=O)C=C2O)cc1 ZINC000100492679 FE Annotated Mild O=C1N=c2ccc(Br)cc2=C1c1[nH]c2ccccc2c1NO ZINC000100496028 FE Annotated Anodyne CCOC(=O)C1=C(c2cscn2)/C(=C2\C=C(CC)C(O)=CC2=O)NN1 ZINC000100496264 FE Annotated Mild C=CC[C@@H](Nc1ccccc1)[C@@]12C=C[C@H](O1)C(C(=O)OC)=C2C(=O)OC ZINC000100510953 FE Annotated Mild C=CC[C@@H](Nc1ccccc1)[C@]12C=C[C@@H](O1)C(C(=O)OC)=C2C(=O)OC ZINC000100510968 FE Annotated Mild CC(=O)Nc1ccc(NC(=O)C2=C/C(=C3/C=CC(C)=C(C)C3=O)NN2)cc1 ZINC000100513386 FE Annotated Mild Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@@H](O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 ZINC000100520326 FE Annotated Anodyne in-man Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2[C@@H](O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 ZINC000100520329 FE Annotated Anodyne in-man O=C1C=C/C(=C\NN/C(=C(\O)c2ccccc2)c2ccccc2)C(=O)C1=O ZINC000100525143 FE Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NNC(=O)c2ccc3nc[nH]c3c2)C=C1 ZINC000100528460 FE Annotated Reactive COc1cc(/C=N\NC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC ZINC000100552462 FE Annotated Mild COc1cc(/C=N\NC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC ZINC000100552468 FE Annotated Mild COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)C1=O ZINC000100552571 FE Annotated Mild COC1=CC=C/C(=C\NNC(=S)N[C@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)C1=O ZINC000100552575 FE Annotated Mild C/C(NNC(=O)CSCc1ccc([N+](=O)[O-])cc1)=C1/C=CC=CC1=O ZINC000100563601 FE Annotated Reactive O=C(NC1=CC(=O)/C(=C2/Nc3ccccc3S2)C=C1)C1=COCCO1 ZINC000100570950 FE Annotated Mild aggregator O=C(O)Cc1ccc(N/N=C2\C(=O)C(C(=O)O)=Cc3ccccc32)cc1 ZINC000100571249 FE Annotated Mild COC(=O)[C@H](CCCCNC(C)=O)[C@@H]1C(=O)C[C@H]2C1=CC(=O)CC2(C)C ZINC000100575526 FE Annotated Mild CCOC1=CC(=O)/C(=C2\NC(N)=NC=C2Oc2cccc(OC)c2)C=C1 ZINC000100590796 FE Annotated Mild COc1ccc(C=O)c(OCc2cn([C@H]3C[C@@H]4CC[C@H](C3)N4C)nn2)c1 ZINC000100597492 FE Annotated Anodyne O=C1N=c2cc3ccccc3cc2=N/C1=C1\N=NNN1Cc1ccccc1 ZINC000100608771 FE Annotated Anodyne CCCn1c(O)cc(=O)nc1SCC(=O)N1CCc2ccccc2C1 ZINC000100615353 FE Annotated Anodyne CC(C)Cn1c(O)cc(=O)nc1SCC(=O)N1CCc2ccccc2C1 ZINC000100615357 FE Annotated Anodyne O=C(N1CCOCC1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000100627142 FE Annotated Anodyne O=C(N1CCOCC1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000100627145 FE Annotated Anodyne Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100632714 FE Annotated Anodyne Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100632722 FE Annotated Anodyne CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000100638248 FE Annotated Anodyne CCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000100638249 FE Annotated Anodyne C[C@H]1C(=O)O[C@]23CC[C@]4(C)C(=O)OC[C@@]45O[C@](c4ccoc4)(C[C@H]1[C@]52C)O3 ZINC000100659966 FE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(C#N)cc1)C1=C(O)CCCC1=N2 ZINC000100703151 FE Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C#N)cc1)C1=C(O)CCCC1=N2 ZINC000100703153 FE Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)cc1)C1=C(O)CCCC1=N2 ZINC000100703187 FE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)cc1)C1=C(O)CCCC1=N2 ZINC000100703188 FE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(O)c1)C1=C(O)CCCC1=N2 ZINC000100703218 FE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(O)c1)C1=C(O)CCCC1=N2 ZINC000100703220 FE Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2c1c(=O)n(C)c(=O)n2C ZINC000100703227 FE Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2c1c(=O)n(C)c(=O)n2C ZINC000100703228 FE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(F)c1)C1=C(O)CCCC1=N2 ZINC000100703272 FE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(F)c1)C1=C(O)CCCC1=N2 ZINC000100703274 FE Annotated Anodyne Cn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000100705213 FE Annotated Anodyne Cn1c(SCC(=O)NC[C@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000100705215 FE Annotated Anodyne COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@H]43 ZINC000100735106 FE Annotated Anodyne COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@H]43 ZINC000100735114 FE Annotated Anodyne COc1cc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 ZINC000100761414 FE Annotated Mild COc1cc(N/N=C2/CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 ZINC000100761419 FE Annotated Mild Oc1ccc2c(c1)O[C@H]1C[C@]1(N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O ZINC000100766058 FE Annotated Anodyne C[C@@H]1CCC(/C=N/c2ccc([N+](=O)[O-])cc2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100770686 FE Annotated Mild C[C@H]1CCC(/C=N/c2ccc([N+](=O)[O-])cc2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100770688 FE Annotated Mild CN1CCc2cc3c(cc2[C@H]2O[C@@H](O)c4c(ccc5c4OCO5)[C@H]21)OCO3 ZINC000100771607 FE Annotated Anodyne in-man endogenous C=C(C)[C@@H]1C[C@@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000100772881 FE Annotated Mild in-man endogenous C=C(C)[C@@H]1C[C@@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000100772884 FE Annotated Mild in-man endogenous C=C(C)[C@@H]1C[C@@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000100772887 FE Annotated Mild in-man endogenous C=C(C)[C@@H]1C[C@@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000100772889 FE Annotated Mild in-man endogenous C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000100774350 FE Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000100774351 FE Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@]12O3 ZINC000100774354 FE Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@]12O3 ZINC000100774356 FE Annotated Anodyne in-man endogenous C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100776685 FE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100776687 FE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100776689 FE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@H]1[C@H](O)C[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100776690 FE Annotated Mild in-man endogenous C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4CO)[C@H](O)[C@H](O)[C@@H]12 ZINC000100780820 FE Annotated Anodyne in-man endogenous C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4CO)[C@H](O)[C@H](O)[C@@H]12 ZINC000100780822 FE Annotated Anodyne in-man endogenous C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H](O)[C@]13C[C@@H](CO)[C@H](CC[C@@H]21)C3 ZINC000100780826 FE Annotated Anodyne in-man endogenous C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@H]4CO)[C@H](O)[C@H](O)[C@@H]12 ZINC000100780828 FE Annotated Anodyne in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781437 FE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100781439 FE Annotated Mild in-man endogenous C=C1[C@H](O)[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 ZINC000100781462 FE Annotated Mild in-man endogenous C=C1[C@H](O)[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 ZINC000100781464 FE Annotated Mild in-man endogenous C=C1[C@H](O)[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 ZINC000100781465 FE Annotated Mild in-man endogenous C=C1[C@H](O)[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 ZINC000100781466 FE Annotated Mild in-man endogenous CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@@H](C)[C@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C ZINC000100781984 FE Annotated Anodyne in-man endogenous CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C ZINC000100781986 FE Annotated Anodyne in-man endogenous CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@@H](C)[C@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C ZINC000100781988 FE Annotated Anodyne in-man endogenous CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@H](C)[C@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C ZINC000100781992 FE Annotated Anodyne in-man endogenous CC1=C2[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000100784025 FE Annotated Anodyne in-man endogenous CC1=C2[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000100784028 FE Annotated Anodyne in-man endogenous CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000100784030 FE Annotated Anodyne in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)C[C@@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784196 FE Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784198 FE Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784201 FE Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100784202 FE Annotated Mild in-man endogenous C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@H](O)[C@@](C)(O)CC[C@]1(C)[C@H]2CO ZINC000100788055 FE Annotated Anodyne Cc1ccc(S(=O)(=O)ON2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000100791785 FE Annotated Mild CC(=O)OC[C@@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 ZINC000100823390 FE Annotated Anodyne in-man CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 ZINC000100823391 FE Annotated Anodyne in-man CC(=O)OC[C@@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 ZINC000100823393 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829345 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829347 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829348 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829350 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829351 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829352 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829355 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829356 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C ZINC000100829358 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C ZINC000100829360 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C ZINC000100829361 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@]21C ZINC000100829363 FE Annotated Anodyne in-man CC(=O)N1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H](C1)N2C ZINC000100829971 FE Annotated Anodyne CC(=O)N1C[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C ZINC000100829975 FE Annotated Anodyne C[C@H]1[C@@H](C)[C@@H](C)[C@H](C(O)O)O[C@@H]1Oc1ccc(C[C@@H]2CCC(=O)O2)cc1 ZINC000100830839 FE Annotated Anodyne in-man C[C@@H]1[C@@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@@H](C(O)O)[C@H](C)[C@H]1C ZINC000100830840 FE Annotated Anodyne in-man O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O ZINC000100878335 FE Annotated Mild CC(C)COC(=O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000100885938 FE Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c1cc(NCCCN(C)C)c(C#N)cc1[n+]2[O-] ZINC000100894242 FE Annotated Mild CN(C)CCCNc1cc2c(cc1C#N)[n+]([O-])c1cc(Cl)ccc1[n+]2[O-] ZINC000100896302 FE Annotated Mild CCCS(=O)(=O)Cc1ccccc1C#CCC[C@H]1OC(O)=C(O)C1=O ZINC000100916116 FE Annotated Mild CCCS(=O)(=O)Cc1ccccc1C#CCC[C@@H]1OC(O)=C(O)C1=O ZINC000100916118 FE Annotated Mild NCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000100970684 FE Annotated Anodyne CN(C(=O)c1c(O)c2cc([S@](C)=O)ccc2n(C)c1=O)c1ccccc1 ZINC000100988332 FE Annotated Anodyne Cc1cnc(NC(=O)C2=C(O)c3cc(F)ccc3S(=O)(=O)N2C)s1 ZINC000100998010 FE Annotated Anodyne CN(C)c1ccc2[nH]c(O)c(/C=N/c3ccc(S(N)(=O)=O)cc3)c2c1 ZINC000101002256 FE Annotated Mild COC(=O)[C@@]12C[C@@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000101009783 FE Annotated Anodyne Nc1[nH]cnc2c(CN3C[C@H](O)[C@H](CSCc4ccccc4)C3)cnc1-2 ZINC000101025355 FE Annotated Anodyne Nc1[nH]cnc2c(CN3C[C@H](CSCc4ccccc4)[C@@H](O)C3)cnc1-2 ZINC000101025356 FE Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)C(O)=C1C(C)(C)[C@@H]3CC(=O)[C@]12CO3 ZINC000101085001 FE Annotated Mild CCCN(CCC)CCNc1n[n+]([O-])c2ccc(C(C)(C)C)cc2[n+]1[O-] ZINC000101103097 FE Annotated Anodyne CN1C[C@H](C(=O)N(C)c2ccc(Sc3ccccc3)cc2)C(=O)C1=O ZINC000101116690 FE Annotated Anodyne CN1C[C@@H](C(=O)N(C)c2ccc(Sc3ccccc3)cc2)C(=O)C1=O ZINC000101116691 FE Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5C[C@@]23CC[C@H]1[C@@]4(CO)C(=O)OC ZINC000101132797 FE Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5C[C@@]23CC[C@H]1[C@]4(CO)C(=O)OC ZINC000101132803 FE Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000101146552 FE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000101146560 FE Annotated Mild in-man endogenous CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@@]43OO2 ZINC000101150283 FE Annotated Reactive CCOC(=O)C1=C(O)CCC2(C(=O)OC(C)(C)OC2=O)[C@H]1c1ccco1 ZINC000101151133 FE Annotated Anodyne O=C(Nc1cnccn1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O ZINC000101154539 FE Annotated Anodyne O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1CCc1ccccc1 ZINC000101160553 FE Annotated Anodyne CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2F ZINC000101161423 FE Annotated Anodyne C=CC[C@@]12C=C(O)C(=O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000101165009 FE Annotated Mild CC(=O)c1ccc(/N=C/C2=C3NC=C(C(=O)O)C(=O)N3[C@H](C)CC2)cc1 ZINC000101170447 FE Annotated Mild CC(=O)c1ccc(/N=C/C2=C3NC=C(C(=O)O)C(=O)N3[C@@H](C)CC2)cc1 ZINC000101170449 FE Annotated Mild C[C@@H]1CC/C(=N\Nc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 ZINC000101177393 FE Annotated Mild C[C@H]1CC/C(=N/Nc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 ZINC000101177404 FE Annotated Mild N#Cc1ccc(CNc2c(NCC(F)(F)C(F)(F)F)c(=O)c2=O)cc1 ZINC000101183474 FE Annotated Mild O=C1C[C@@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)Cc1ccccc1 ZINC000101193081 FE Annotated Mild C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@@]4(CO)C(=O)OC ZINC000101195047 FE Annotated Bother C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@]4(CO)C(=O)OC ZINC000101195050 FE Annotated Bother CN(C(=O)c1c(O)c2c([N+](=O)[O-])cccc2n(C)c1=O)c1ccccc1 ZINC000101209381 FE Annotated Bother O=C(NC1CCCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000101242307 FE Annotated Anodyne O=C(NC1CCCCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000101242310 FE Annotated Anodyne CC(C)NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000101242613 FE Annotated Anodyne CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000101242618 FE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 ZINC000101283963 FE Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 ZINC000101283967 FE Annotated Anodyne Cc1cncn1CCCN/C(=C\[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 ZINC000101285212 FE Annotated Anodyne O=c1c2cc(Br)ccc2n2nnc3ccc(NCCCO)c1c32 ZINC000101321764 FE Annotated Bother OCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000101344071 FE Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000101357889 FE Annotated Anodyne CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(/N=N\N2CCCCC2)cc1 ZINC000101382157 FE Annotated Clean CN1C(=O)[C@H]2[C@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O ZINC000101410290 FE Annotated Anodyne CN1C(=O)[C@@H]2[C@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O ZINC000101410293 FE Annotated Anodyne CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1O[C@H]2C(c2ccc(O)cc2)=C1c1ccc(O)cc1 ZINC000101410296 FE Annotated Anodyne C/C=C1/CN(C=O)[C@H]2C[C@H]1[C@H](C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000101433712 FE Annotated Anodyne C/C=C1/CN(C=O)[C@H]2C[C@H]1[C@@H](C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000101433716 FE Annotated Anodyne CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@H]2F ZINC000101449200 FE Annotated Anodyne O=C1CC(c2ccc(Br)s2)=NC[C@@]2(CN3CCC2CC3)N1 ZINC000101450968 FE Annotated Anodyne O=C1CC(c2ccc(Br)s2)=NC[C@]2(CN3CCC2CC3)N1 ZINC000101450972 FE Annotated Anodyne CCCCC(=O)NS(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1 ZINC000101456292 FE Annotated Clean Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)n1 ZINC000101471624 FE Annotated Anodyne Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)n1 ZINC000101471633 FE Annotated Anodyne NC1=CC(=O)c2ccc(-c3[nH]c(CO)cc4c5ccccc5nc3-4)nc2C1=O ZINC000101481229 FE Annotated Mild C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@@H]12 ZINC000101488248 FE Annotated Mild C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@@H]12 ZINC000101488252 FE Annotated Mild NC(=O)c1cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1N1CCCCC1 ZINC000101499644 FE Annotated Anodyne NC(=O)c1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1N1CCCCC1 ZINC000101499649 FE Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)c1cccs1)C2 ZINC000101505635 FE Annotated Anodyne CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)C1CCCCC1 ZINC000101505636 FE Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)C1CCCCC1)C2 ZINC000101505647 FE Annotated Anodyne CCOC(=O)N1CCC(/N=c2/c(-c3ccc(C)c(C)c3)c(O)c2=O)CC1 ZINC000101508603 FE Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)[C@]23CC[C@@](C)(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@@H]2[C@@H]13 ZINC000101554469 FE Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(O)c1)C1=C(O)c3ccccc3C1=N2 ZINC000101576699 FE Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(O)c1)C1=C(O)c3ccccc3C1=N2 ZINC000101576707 FE Annotated Anodyne Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000101619820 FE Annotated Anodyne Cc1nnc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 ZINC000101619826 FE Annotated Anodyne C/N=C1\S[C@H](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1C ZINC000101626911 FE Annotated Mild C/N=C1\S[C@@H](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1C ZINC000101626912 FE Annotated Mild Cn1/c(=N/NC(=O)[C@@H]2CCOC2)sc2cc(OC(F)(F)F)ccc21 ZINC000101635566 FE Annotated Reactive Cn1/c(=N/NC(=O)[C@H]2CCOC2)sc2cc(OC(F)(F)F)ccc21 ZINC000101635571 FE Annotated Reactive CC1(C)CCC[C@@]23C(=O)O[C@H](C[C@@H]12)c1cc(C(CO)CO)c(O)c(O)c13 ZINC000101638684 FE Annotated Clean C[C@@]1(C(=O)O)OC[C@H](CCCCc2ccc(S(C)(=O)=O)cc2)CO1 ZINC000101641726 FE Annotated Anodyne Cc1ccc(CNC(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])cc1 ZINC000101654241 FE Annotated Anodyne NCCCCNCCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101654260 FE Annotated Mild CNC(=O)/C=C1/COc2c1ccc(OS(=O)(=O)c1ccccc1)c2C ZINC000101662738 FE Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(OC)c1OC ZINC000101663516 FE Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(OC)c1OC ZINC000101663521 FE Annotated Mild CCOC(=O)c1cc2c(oc1=O)-c1c(c(C(=O)OCC)n(C)c1C)CC2 ZINC000101685914 FE Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)cc1OC ZINC000101698842 FE Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)cc1OC ZINC000101698847 FE Annotated Mild CNC(=O)c1cn2c(-c3ccc(O)cc3)nc3c(NC)c(F)cc(c1=O)c32 ZINC000101699669 FE Annotated Anodyne CN1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)csc2=N)CC1 ZINC000101703909 FE Annotated Anodyne CCOC(=O)C(=O)CC(=O)/C=C/c1cc(C(=O)c2ccc(C#N)cc2)c[nH]1 ZINC000101704717 FE Annotated Mild O=C1C=CC2(C=C1)CC[C@]1(C[C@@H](O)C[C@@]3(CCC4(C=CC(=O)C=C4)O3)O1)O2 ZINC000101712771 FE Annotated Mild COc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCOCC3)=C(O)C2)cc1 ZINC000101728858 FE Annotated Mild CC(=N)/C(C#N)=C(/O)CSc1nc2ccccc2c(=O)n1CCCO ZINC000101744492 FE Annotated Reactive O=C(O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000101752472 FE Annotated Anodyne O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000101752477 FE Annotated Anodyne O=C(CNC(=O)c1ccco1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000101782373 FE Annotated Clean CN1C(=O)[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@@H]2C1=O ZINC000101789478 FE Annotated Anodyne CN1C(=O)[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@H]2C1=O ZINC000101789482 FE Annotated Anodyne CN1C(=O)[C@H]2C(c3cn(-c4ccccc4)nc3-c3ccccc3)=NO[C@H]2C1=O ZINC000101789488 FE Annotated Anodyne CN1C(=O)[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccccc3)[C@H]2C1=O ZINC000101789493 FE Annotated Anodyne CCCN1CCN(C(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)CC1 ZINC000101789695 FE Annotated Anodyne Cc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)N1CCCCC1 ZINC000101808148 FE Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C)cc1 ZINC000101816480 FE Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C)cc1 ZINC000101816485 FE Annotated Anodyne NS(=O)(=O)c1ccc(/N=C/C2=C(O)OC3(CCCCC3)OC2=O)cc1 ZINC000101832497 FE Annotated Mild C[C@@H](C(=O)/N=c1/sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000101840345 FE Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CSC[C@H]1c1cn[nH]c1C2 ZINC000101868790 FE Annotated Anodyne Cc1ccc(-c2cn3c(=O)c4ncn([C@H]5C=C[C@@H](CO)C5)c4nc3[nH]2)cc1 ZINC000101879252 FE Annotated Anodyne O=c1c2ncn([C@H]3C=C[C@@H](CO)C3)c2nc2[nH]c(-c3cccs3)cn12 ZINC000101882699 FE Annotated Anodyne NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 ZINC000101895241 FE Annotated Anodyne NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000101895244 FE Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000101927863 FE Annotated Anodyne CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000101927866 FE Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC ZINC000101928594 FE Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(OC)ccc1OC ZINC000101928596 FE Annotated Mild CCCCCCCCC1=C(OC)C(=O)C2=C(NCCS2(=O)=O)C1=O ZINC000101947706 FE Annotated Mild COC(=O)Cn1ncc(N2[C@@H]3C[C@H](CC(C)(C)C3)[C@H]2C)c(Cl)c1=O ZINC000101947733 FE Annotated Anodyne COC(=O)Cn1ncc(N2[C@@H](C)[C@@H]3C[C@@H]2CC(C)(C)C3)c(Cl)c1=O ZINC000101947739 FE Annotated Anodyne Cc1ccc(-n2c(O)cc(=O)nc2SCC(=O)N2CCCCC2)cc1 ZINC000101956188 FE Annotated Anodyne CC1=NNC(=O)[C@@H]1C(c1ccc(Cl)cc1Cl)[C@H]1C(=O)NN=C1C ZINC000101958662 FE Annotated Anodyne CC1=NNC(=O)[C@H]1C(c1ccc(Cl)cc1Cl)[C@H]1C(=O)NN=C1C ZINC000101958665 FE Annotated Anodyne CC1=NNC(=O)[C@H]1C(c1ccc(Cl)cc1Cl)[C@@H]1C(=O)NN=C1C ZINC000101958668 FE Annotated Anodyne CCn1c(SCC(=O)N2CCOCC2)nc2c3ccccc3nc-2c1O ZINC000101971336 FE Annotated Anodyne CNCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000101972571 FE Annotated Anodyne CCCCCCCCC1=C(OC)C(=O)C2=C(C1=O)S(=O)(=O)CCN2 ZINC000101983665 FE Annotated Mild CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 ZINC000102001558 FE Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(OC)cc4)C(=O)[C@H]13)O2 ZINC000102001563 FE Annotated Anodyne COCC[C@@H]1[C@@H]2N3CCc4c([nH]c5ccccc45)[C@]2(C(=O)OC)C[C@H]1C3 ZINC000102039020 FE Annotated Anodyne COCC[C@H]1[C@@H]2N3CCc4c([nH]c5ccccc45)[C@]2(C(=O)OC)C[C@H]1C3 ZINC000102039029 FE Annotated Anodyne Nc1n[nH]c2c1[C@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000102052093 FE Annotated Anodyne N=c1c2ncnc(Nc3ccccc3)c2ncn1NC(=O)c1ccccc1 ZINC000102067908 FE Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC[C@@]5([C@@H](OC)O4)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O ZINC000102073148 FE Annotated Mild N=c1c2ncnc(Nc3ccc(F)cc3)c2ncn1NC(=O)c1ccco1 ZINC000102092084 FE Annotated Anodyne C[n+]1cccc(C(=O)NCCc2ccc([125I])cc2)c1 ZINC000102092184 FE Annotated Anodyne COc1cc(OC)c2c(c1)OC(=O)[C@@H]2/C=C1\Oc2cc(O)cc(O)c2C1=O ZINC000102150556 FE Annotated Mild COC(=O)[C@@]12C[C@@H]3C[C@H](CCO)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000102228548 FE Annotated Anodyne O=c1c2ncn([C@H]3C=C[C@@H](CO)C3)c2nc2[nH]c(-c3ccsc3)cn12 ZINC000102237858 FE Annotated Anodyne O=C(NC1CCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000102306660 FE Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000102306663 FE Annotated Anodyne C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000102326610 FE Annotated Anodyne O=C(CNC(=O)c1ccco1)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102418847 FE Annotated Clean CC[C@@H]1CCCCN1CCCNC(=O)c1c(O)n2ccc(C)cc2nc1=O ZINC000102438339 FE Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)c1c(O)n2ccc(C)cc2nc1=O ZINC000102438341 FE Annotated Anodyne C#CCn1c(O)c(/N=N\C(=O)CNC(=O)c2cccnc2)c2ccccc21 ZINC000102611326 FE Annotated Mild CCCCOC(=O)C1=C(C)O[C@@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 ZINC000102623807 FE Annotated Reactive CCCCOC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@@]12C(=O)c1ccccc13 ZINC000102623809 FE Annotated Reactive CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N\c2ccc(C)c(C)c2)CC1 ZINC000102712723 FE Annotated Anodyne Cc1cc(C(=O)N2C[C@H]3[C@H](CN(C)CCCn4cccn4)[C@H]3C2)c(C)o1 ZINC000102722853 FE Annotated Anodyne O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NC[C@@H]1CCCO1 ZINC000102739989 FE Annotated Anodyne O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NC[C@H]1CCCO1 ZINC000102739991 FE Annotated Anodyne Nc1c([N+](=O)[O-])nc2n1C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000102778226 FE Annotated Bother COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000102778336 FE Annotated Bother C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@@]5([C@@H](OC)O4)[C@@H]2CC[C@@H]1[C@H]3O ZINC000102781470 FE Annotated Mild C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CC[C@H](O)[C@]5([C@@H]2CC[C@@H]1[C@H]3O)[C@H](OC)O4 ZINC000102781473 FE Annotated Mild CC1(C)O[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2[C@@H](N[N+]#N)[C@@H]1Br ZINC000102812592 FE Annotated Reactive CC1(C)O[C@H]2C(=O)c3ccccc3C(=O)[C@H]2[C@@H](N[N+]#N)[C@@H]1Br ZINC000102812594 FE Annotated Reactive CC1(C)O[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2[C@@H](N[N+]#N)[C@@H]1Br ZINC000102812596 FE Annotated Reactive O=C(O)C[C@H]1OCC=C2C[N+]3([O-])CC[C@]45c6ccccc6N[C@@H]4[C@@H]1[C@H]2C[C@H]53 ZINC000102833482 FE Annotated Bother CCC1=C(O)CC(O)=C([C@H]2NN[C@@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@@H]3N2C)C1 ZINC000102885271 FE Annotated Anodyne CCC1=C(O)CC(O)=C([C@@H]2NN[C@@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@@H]3N2C)C1 ZINC000102885274 FE Annotated Anodyne [O-][n+]1nc(NCOCc2ccc(C(F)(F)F)cc2)[n+]([O-])c2ccccc21 ZINC000102891988 FE Annotated Anodyne O=C1C(Cl)=C(NCCCn2ccnc2[N+](=O)[O-])C(=O)c2ccccc21 ZINC000102896412 FE Annotated Mild C=C1[C@@H]2C[C@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@@H]54)[C@@H]1O ZINC000102903298 FE Annotated Mild C=C1[C@@H]2C[C@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000102903299 FE Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3CC2=O ZINC000102903301 FE Annotated Mild Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C/NCC(C)(C)CO)C=C3C=O ZINC000102905437 FE Annotated Reactive O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(O)=C\C(=O)c1ccccc1 ZINC000102943112 FE Annotated Reactive O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C[C@@H]2[C@@H]1C2(Cl)Cl ZINC000102945307 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@H]3C[C@H]2[C@@H](Cl)[C@H]3Cl)cc1 ZINC000102947777 FE Annotated Mild O=C(NC1CCCCCC1)[C@H]1C(=O)N(C2CCCCCC2)C(=O)/C1=N\O ZINC000102950107 FE Annotated Mild O=C(NC1CCCCCC1)[C@@H]1C(=O)N(C2CCCCCC2)C(=O)/C1=N\O ZINC000102950110 FE 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@](O)(CO)C3 ZINC000102975830 FE Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)C3 ZINC000102975852 FE Annotated Anodyne COc1cc(NC=C2C(=O)OC(C)(C)OC2=O)c(OC)c(C)c1OC ZINC000102977073 FE Annotated Clean Cc1ccc(C)c(NC(=O)C(=O)Nn2c(S)nc3ccccc3c2=O)c1 ZINC000102977652 FE Annotated Anodyne O=C1C(Cl)=C(NCCc2ccc(O)cc2)C(=O)c2c(O)ccc(O)c21 ZINC000102978332 FE Annotated Mild CC[C@@H](C)[C@@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)OC ZINC000102979768 FE Annotated Mild CC[C@H](C)[C@@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)OC ZINC000102979772 FE Annotated Mild C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@@H]4CCC[C@H]4O)c3n2)CC1 ZINC000102993215 FE Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)CC1 ZINC000102993219 FE Annotated Anodyne CCCCSC1=N[C@@H](C(=O)OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000102997744 FE Annotated Anodyne CCCCSC1=N[C@H](C(=O)OC)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103004864 FE Annotated Anodyne CCOC(=O)CCCn1c(C)c(C)c2c1N=C(SC)N1CC(=O)N=C21 ZINC000103006378 FE Annotated Anodyne CCN1CCN(/C(=N\Nc2ccc3c(=O)cc(C)oc3c2)C(C)=O)CC1 ZINC000103007985 FE Annotated Mild C[C@@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000103021647 FE Annotated Anodyne C[C@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000103021649 FE Annotated Anodyne C[C@@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000103021651 FE Annotated Anodyne C[C@H](CC1C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000103021653 FE Annotated Anodyne CN1CCN(c2ccc(/C=C/C3=[N+]([O-])[C@H](OCCO)C(C)(C)C3)cc2)CC1 ZINC000103082448 FE Annotated Clean CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@H]4C(N)[C@@H]4C3)c2c1Cl ZINC000103087060 FE Annotated Anodyne CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@@H]4C(N)[C@H]4C3)c2c1Cl ZINC000103087065 FE Annotated Anodyne CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103096070 FE Annotated Anodyne in-vitro Cc1sc2nc3[nH]c(CC(=O)Nc4ccccc4)nn3c(=O)c2c1C ZINC000103096284 FE Annotated Anodyne C=C(C)C[C@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3C=C[C@]21O3 ZINC000103108711 FE Annotated Mild C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]12O3 ZINC000103108713 FE Annotated Mild C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](C[C@H](O)[C@@H]21)[C@]1(CO1)[C@H]3O ZINC000103144625 FE Annotated Anodyne COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@H]3C=CC=C[C@H]13)N2C ZINC000103164672 FE Annotated Anodyne COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@@H]3C=CC=C[C@H]13)N2C ZINC000103164674 FE Annotated Anodyne COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@H]3C=CC=C[C@@H]13)N2C ZINC000103164676 FE Annotated Anodyne COC(=O)c1ccc2c(c1)C(NCCCN)=C1C(=N[C@@H]3C=CC=C[C@@H]13)N2C ZINC000103164678 FE Annotated Anodyne CCC[C@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O ZINC000103169223 FE Annotated Anodyne CCC[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O ZINC000103169224 FE Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000103172196 FE Annotated Clean CCCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 ZINC000103173653 FE Annotated Anodyne CCN1CCN(C(=O)c2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 ZINC000103173655 FE Annotated Anodyne COc1cc2c(cn1)OC[C@]21C(=O)N(C[C@H]2CCCO2)c2ccccc21 ZINC000103177717 FE Annotated Anodyne COc1cc2c(cn1)OC[C@@]21C(=O)N(C[C@H]2CCCO2)c2ccccc21 ZINC000103177719 FE Annotated Anodyne COc1cc2c(cn1)OC[C@]21C(=O)N(C[C@@H]2CCCO2)c2ccccc21 ZINC000103177722 FE Annotated Anodyne COc1cc2c(cn1)OC[C@@]21C(=O)N(C[C@@H]2CCCO2)c2ccccc21 ZINC000103177726 FE Annotated Anodyne NCCCC[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000103178672 FE Annotated Anodyne CCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O ZINC000103185904 FE Annotated Anodyne CCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@]1(C)O ZINC000103185906 FE Annotated Anodyne C[C@H]1CCC[C@H]2O[C@@H]2COc2ccc(cc2)C[C@H]2NC(=O)/C(=C/1O)C2=O ZINC000103186608 FE Annotated Mild CCOCCOC(=O)/C(C#N)=C(/NCc1ccc(OCC)nc1)SC ZINC000103187662 FE Annotated Reactive Cc1ccc(-[n+]2noc(O)c2CN2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000103194414 FE Annotated Anodyne COc1nccc2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12 ZINC000103195580 FE Annotated Anodyne COC(=O)/C=C/N1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@H]1O4 ZINC000103195962 FE Annotated Reactive O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1cccc(Cl)c1 ZINC000103199635 FE Annotated Anodyne O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1cccc(Cl)c1 ZINC000103199637 FE Annotated Anodyne CCn1cc(C(=O)N/N=C/c2ccc(O)cc2)c(=O)c2ccc(C)nc21 ZINC000103201003 FE Annotated Reactive CCn1cc(C(=O)N/N=C/c2cccc(OC)c2)c(=O)c2ccc(C)nc21 ZINC000103201006 FE Annotated Reactive N#Cc1cccc(NC(=S)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 ZINC000103201769 FE Annotated Mild COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2C=O)cc1OC ZINC000103201866 FE Annotated Mild CCOc1c(S(=O)(=O)CC)ccc(C(=O)/C(=N\O)C(C)=O)c1Cl ZINC000103205320 FE Annotated Mild CCOC(=O)c1cnc2n(nc3c(Cl)nc4ccc(C)cc4n32)c1=O ZINC000103205765 FE Annotated Bother CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)nn1)C(C)C ZINC000103207708 FE Annotated Reactive CCCN(CCC)CC(=O)Nn1c(S)nnc1-c1ccc(OC)cc1 ZINC000103210529 FE Annotated Anodyne CCOC(=O)Cn1nc(Nc2ccccc2Br)ccc1=O ZINC000103211297 FE Annotated Anodyne CCn1cc(C(=O)N/N=C/c2ccc(OC)cc2)c(=O)c2ccc(C)nc21 ZINC000103212618 FE Annotated Reactive COc1ccc(N2CCN(Cc3oc(CCl)cc(=O)c3O)CC2)cc1 ZINC000103214839 FE Annotated Reactive O=C(NCc1nn2c(-c3ccccc3O)nnc2s1)c1ccccc1 ZINC000103214898 FE Annotated Anodyne O=C1NN=C(c2ccc(Br)cc2)/C(=N/Nc2ccccc2)C1=O ZINC000103216142 FE Annotated Mild CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OCC)s1)SC ZINC000103220961 FE Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(N(C)C)nc1)C(C)C ZINC000103222747 FE Annotated Reactive N=C(N)c1ccc(-c2cc(-c3cc(C(=N)N)ccc3[N+](=O)[O-])no2)cc1 ZINC000103224377 FE Annotated Bother COc1c(/C(N)=N/O)cccc1-c1cc(-c2ccc(/C(N)=N/O)cc2)no1 ZINC000103224402 FE Annotated Mild COC(=O)c1cc2c(OC[C@@H](N)CCSC)ccc(OC)c2n1C ZINC000103224964 FE Annotated Anodyne C=C1CO[C@H]2/C=C(\C)CC[C@@H](O)[C@@](C)(O)C/C=C/[C@](C)(O)CC[C@@]12O ZINC000103225754 FE Annotated Mild C=C1CO[C@H]2/C=C(\C)CC[C@@H](O)[C@@](C)(O)C/C=C/[C@@](C)(O)CC[C@@]12O ZINC000103225757 FE Annotated Mild COc1cc(/C(N)=N/O)ccc1-c1cc(-c2cccc(/C(N)=N/O)c2)on1 ZINC000103226114 FE Annotated Mild COc1cc(/C(N)=N/O)ccc1-c1cc(-c2ccc(/C(N)=N/O)cc2)no1 ZINC000103226123 FE Annotated Mild COc1cc(/C(N)=N/O)ccc1-c1cc(-c2ccc(/C(N)=N/O)cc2)on1 ZINC000103226128 FE Annotated Mild COc1cc(/C(N)=N/O)ccc1-c1cc(-c2cccc(/C(N)=N/O)c2)no1 ZINC000103226145 FE Annotated Mild COc1ccc(/C(N)=N/O)cc1-c1cc(-c2ccc(/C(N)=N/O)cc2)on1 ZINC000103226155 FE Annotated Mild CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)C1CCCCC1 ZINC000103227218 FE Annotated Anodyne O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NCC3)s1 ZINC000103231565 FE Annotated Anodyne CC1=C2C[C@@H](O)C[C@H]3C(=O)OC[C@@]23C=CC2=C1[C@H](c1ccoc1)OC2=O ZINC000103232793 FE Annotated Anodyne CN1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O ZINC000103234917 FE Annotated Anodyne O=C(NOCc1ccc([N+](=O)[O-])cc1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000103236700 FE Annotated Bother COc1ccc(/C=N/NC(=O)CN2CCc3sccc3C2)c(OC)c1 ZINC000103239003 FE Annotated Reactive COc1ccc(OC)c(/C=N/NC(=O)CN2CCc3sccc3C2)c1 ZINC000103239005 FE Annotated Reactive O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)N1 ZINC000103239942 FE Annotated Anodyne NCCc1c([C@H](c2c[nH]c3ccccc23)[C@H](O)CO)[nH]c2ccc(O)cc12 ZINC000103241729 FE Annotated Anodyne NCCc1c([C@@H](c2c[nH]c3ccccc23)[C@H](O)CO)[nH]c2ccc(O)cc12 ZINC000103241731 FE Annotated Anodyne NCCc1c([C@H](c2c[nH]c3ccccc23)[C@@H](O)CO)[nH]c2ccc(O)cc12 ZINC000103241733 FE Annotated Anodyne NCCc1c([C@@H](c2c[nH]c3ccccc23)[C@@H](O)CO)[nH]c2ccc(O)cc12 ZINC000103241734 FE Annotated Anodyne CC(C)N1CCN(C(=O)C2CC3(CCN(C4CCOCC4)CC3)C2)CC1 ZINC000103243047 FE Annotated Anodyne CCOC(=O)Cc1nnc2n(c1=O)CCN2c1ccc(Cl)c(Cl)c1 ZINC000103247548 FE Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NCC3CC3)c3ncccc32)c1C ZINC000103248022 FE Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C)cc32)c1C ZINC000103248023 FE Annotated Anodyne Cc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(N(C)C)c3C)c2c1 ZINC000103248975 FE Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NC[C@@H](C)F)c3ncccc32)c1C ZINC000103248977 FE Annotated Anodyne COCCNC(=O)c1cn(Cc2cc(F)cnc2OC)c2cccnc12 ZINC000103248985 FE Annotated Anodyne O=S(=O)(CCCN1CCOCC1)Cc1ccc(Br)cc1 ZINC000103249150 FE Annotated Anodyne Cc1nc2ccc(C#C[C@@]3(O)C[C@@H]4CC[C@H]3C4)cc2n1-c1ncnc(N)n1 ZINC000103249644 FE Annotated Mild C#CCNC(=O)Nc1ccc(OCC(=O)O)c(NC(=O)C(CC)CC)c1 ZINC000103250983 FE Annotated Mild Cc1cc(-c2nc(N)[nH]c(=O)c2Cl)cc(C#N)c1OC[C@@H]1CCOC1 ZINC000103253371 FE Annotated Mild Cc1cc(-c2nc(N)[nH]c(=O)c2Cl)cc(C#N)c1OC[C@H]1CCOC1 ZINC000103253374 FE Annotated Mild CC(C)(O)[C@H](Br)COc1c2c(cc3oc(=O)ccc13)OCO2 ZINC000103260331 FE Annotated Reactive CC(C)(O)[C@@H](Br)COc1c2c(cc3oc(=O)ccc13)OCO2 ZINC000103260332 FE Annotated Reactive O=C1N[C@H](C(=O)O)Cc2cn(cn2)CCCCOc2ccc(Cl)c1c2 ZINC000103260935 FE Annotated Anodyne O=C1N[C@@H](C(=O)O)Cc2cn(cn2)CCCCOc2ccc(Cl)c1c2 ZINC000103260942 FE Annotated Anodyne COc1ccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1 ZINC000103262764 FE Annotated Anodyne Cn1c(=O)c(C(=O)CCC(=O)O)c(O)c2ccc(Br)cc21 ZINC000103265041 FE Annotated Anodyne CSc1nc2ccccn2/c(=N\C(C)=O)c1S(=O)(=O)c1ccccc1 ZINC000103268184 FE Annotated Anodyne C#CCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCC#C)[C@@H]23)OCO5 ZINC000103268967 FE Annotated Mild C#CCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 ZINC000103269022 FE Annotated Mild O=C(O)[C@@H]1C[C@H]2C[C@@H](Sc3ccccc3-c3nnn[nH]3)CC[C@H]2CN1 ZINC000103271992 FE Annotated Anodyne CCCCCCCN[C@@H](CC(=O)O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103272839 FE Annotated Mild CCCCCCCN[C@H](CC(=O)O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103272842 FE Annotated Mild O=[N+]([O-])c1c[nH]c(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)o2)c1 ZINC000103281414 FE Annotated Bother CCOP(=O)(CCCn1cc(Cn2ccccc2=O)nn1)OCC ZINC000103281630 FE Annotated Anodyne CNC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C1 ZINC000103282384 FE Annotated Anodyne CNC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C1 ZINC000103282387 FE Annotated Anodyne CCNC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103282742 FE Annotated Anodyne CCNC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103282745 FE Annotated Anodyne CC(=O)OC[C@]1(O)[C@H]2C[C@H](O)[C@]34C=C(C)[C@H](CC[C@H]3[C@]2(C)CC[C@H]1O)C4 ZINC000103284778 FE Annotated Anodyne COc1ccc2[nH]c(=O)c([C@H]3NC(=S)NC4=C3C(=O)CCC4)cc2c1 ZINC000103286876 FE Annotated Mild COc1ccc2[nH]c(=O)c([C@@H]3NC(=S)NC4=C3C(=O)CCC4)cc2c1 ZINC000103286879 FE Annotated Mild C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@H]2CC[C@H](O)[C@H]3[C@@]1(C)CC[C@@H]1CCOC1 ZINC000103288138 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@H]2CC[C@H](O)[C@H]3[C@@]1(C)CC[C@H]1CCOC1 ZINC000103288141 FE Annotated Anodyne C[n+]1cn([C@H](C(=O)c2ccccc2)c2ccccc2)c2nc(N)nc(O)c21 ZINC000103292807 FE Annotated Anodyne C[n+]1cn([C@@H](C(=O)c2ccccc2)c2ccccc2)c2nc(N)nc(O)c21 ZINC000103292809 FE Annotated Anodyne CO[C@H]1[C@H]([C@H](CC(=O)O)NCC[C@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103296915 FE Annotated Anodyne CO[C@H]1[C@H]([C@H](CC(=O)O)NCC[C@@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103296917 FE Annotated Anodyne CO[C@H]1[C@H]([C@@H](CC(=O)O)NCC[C@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103296921 FE Annotated Anodyne CO[C@H]1[C@H]([C@@H](CC(=O)O)NCC[C@@H](C)CC(C)C)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000103296924 FE Annotated Anodyne CCCCCOC(=O)OC[C@@H]1CC[C@H](n2cnc3c(=O)nc[nH]c32)O1 ZINC000103297378 FE Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1CO ZINC000103298563 FE Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1CO ZINC000103298565 FE Annotated Anodyne N#Cc1cc([C@H]2C3=C(CCCC3=O)NC3=C2S(=O)(=O)CC3)ccc1F ZINC000103303534 FE Annotated Mild O=C1CCCC2=C1[C@H](c1ccc3nsnc3c1)C1=C(CCS1(=O)=O)N2 ZINC000103303681 FE Annotated Mild CNC(=N)N1C=C[C@@H]2CC[C@@H]3[C@H](O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@@]25C1 ZINC000103524903 FE Annotated Anodyne in-vitro biogenic CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@H]3CCC[C@H]4[C@@H](O)C(C(=O)O)=C(C1)[C@@]342 ZINC000103524919 FE Annotated Anodyne in-vitro biogenic CNC(=N)N1C=CC[C@]23[C@@H]4CC[C@@](C)(CC[C@@H]12)[C@]31C[C@H](O)C(C(=O)O)=C1C4 ZINC000103524925 FE Annotated Anodyne in-vitro biogenic CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23CCC(C(=O)O)=C3C1 ZINC000103524934 FE Annotated Anodyne in-vitro biogenic CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@H](C=O)C(C(=O)O)=C3C1 ZINC000103524962 FE Annotated Mild in-vitro biogenic Cc1nc(O)cc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 ZINC000103525439 FE Annotated Anodyne N/C(=C\S)N(CCCCC(=O)O)C(=O)OC1CCC(C(=O)O)CC1 ZINC000103529576 FE Annotated Anodyne C/N=c1\c(NS(=O)(=O)c2cccc(C#N)c2)c(O)oc2ccccc12 ZINC000103532148 FE Annotated Mild CCN(CC)CCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O ZINC000103536770 FE Annotated Anodyne CCCCN(C)CCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O ZINC000103536825 FE Annotated Anodyne Cc1ccc2nc3c(O)n(CC(=O)NCCCOC(C)C)ncc-3c2c1 ZINC000103536863 FE Annotated Anodyne COCC1=Nc2ncnn2[C@H](c2cc(OC)ccc2OC)/C1=C(/O)OC ZINC000103538670 FE Annotated Anodyne COCC1=Nc2ncnn2[C@@H](c2cc(OC)ccc2OC)/C1=C(/O)OC ZINC000103538679 FE Annotated Anodyne C/C=C1/CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4cc(O)ccc43)[C@H]3C[C@H]1[C@@H]2CO3 ZINC000103557405 FE Annotated Anodyne in-vitro biogenic C/C=C1\CN2CC[C@@]34c5ccccc5N(C)[C@@]23C(=O)C[C@H]1[C@H]4C(=O)OC ZINC000103571708 FE Annotated Anodyne in-vitro biogenic C[C@H]1[C@H](O)CC[C@H]2C[C@H]([C@H](O)CCCCCC[C@@H](O)CC(=O)O)C=CN21 ZINC000103573522 FE Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN5CC[C@@]26[C@@H]5C[C@@H]4[C@@H]3[C@H]16 ZINC000103578945 FE Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000103578948 FE Annotated Anodyne in-vitro biogenic CCO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN42)[C@@H]6[C@H]53 ZINC000103580496 FE Annotated Anodyne in-vitro biogenic C/C=C1\CN[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000103581755 FE Annotated Anodyne in-vitro biogenic C/C=C1\CN(C)[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(O)ccc43)[C@@H]3C[C@@H]1[C@H]2CO3 ZINC000103581962 FE Annotated Anodyne in-vitro biogenic O=C1CC=C2[C@H]3C[C@H]4[C@]5(CC[N+]4([O-])C/C3=C\CO)c3ccccc3N1[C@@H]25 ZINC000103582582 FE Annotated Bother in-vitro biogenic C/C=C1/CN2C(=O)[C@]3(c4ccc(O)cc4NOC)C[C@H]2[C@@H]2CO[C@H]3C[C@@H]12 ZINC000103583547 FE Annotated Anodyne in-vitro biogenic C/C=C1\CN2[C@H]3C[C@H]4c5ccccc5N[C@H]4[C@H]2C[C@@H]1[C@]3(CO)C(=O)OC ZINC000103585572 FE Annotated Anodyne in-vitro biogenic CC(=O)Nc1cc(I)cc(S(=O)(=O)Cl)c1 ZINC000103601913 FE Annotated Unstable CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1C)C1=C(O)OCC1=N2 ZINC000103644518 FE Annotated Anodyne CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1C)C1=C(O)OCC1=N2 ZINC000103644525 FE Annotated Anodyne CC/N=c1\c(NS(=O)(=O)c2c(C)noc2C)c(O)oc2ccccc12 ZINC000103673601 FE Annotated Anodyne CC(C)c1ccc([C@H]2C3=C(O)OCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000103685398 FE Annotated Anodyne CC(C)c1ccc([C@@H]2C3=C(O)OCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000103685402 FE Annotated Anodyne CCOC(=O)CSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 ZINC000103693914 FE Annotated Anodyne O=C(Cn1[nH]cc2c3ccccc3nc-2c1=O)N1CCc2ccccc2C1 ZINC000103711195 FE Annotated Anodyne Cc1cccc(CCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)c1 ZINC000103711292 FE Annotated Anodyne C[C@@H]1CCCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)C1 ZINC000103712274 FE Annotated Anodyne C[C@H]1CCCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)C1 ZINC000103712277 FE Annotated Anodyne COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C(=O)C=C(C)C=C3C)NN2)c1 ZINC000103740213 FE Annotated Mild CC1=C(O)/C(=C2/NNC(C(=O)O)=C2c2nc3ccccc3s2)C=CC1=O ZINC000103757110 FE Annotated Mild COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)O)c(=O)n3[nH]2)c1 ZINC000103766540 FE Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(N/N=C2\C=CC(=O)c3ncccc32)c1 ZINC000103793315 FE Annotated Mild CCS(=O)(=O)c1ccc(N/N=C2\C=CC(=O)c3ncccc32)c(OC)c1 ZINC000103793895 FE Annotated Mild O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)Nc1ccccn1 ZINC000103796166 FE Annotated Anodyne Cc1ccc(CCNC(=O)Cn2[nH]cc3c4ccccc4nc-3c2=O)cc1 ZINC000103815949 FE Annotated Anodyne CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000103889593 FE Annotated Anodyne CCOC(=O)C1=C(C)/C(=N/Nc2cc(C(=O)O)cc(C(=O)O)c2)N=C1C ZINC000103915269 FE Annotated Mild COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccn1 ZINC000103916919 FE Annotated Mild COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccn1 ZINC000103916925 FE Annotated Mild COc1ccc(CNC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)cc1 ZINC000103917352 FE Annotated Mild COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C=C(C)C(C)=CC3=O)NN2)c1 ZINC000103917356 FE Annotated Mild COc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C(C)=CC3=O)NN2)c(OC)c1 ZINC000103917381 FE Annotated Mild COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)c1 ZINC000103917963 FE Annotated Mild COc1ccc(NC(=O)C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)c(OC)c1 ZINC000103918035 FE Annotated Mild CC(=O)Nc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C(C)=CC3=O)NN2)cc1 ZINC000103918053 FE Annotated Mild CC(=O)Nc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)cc1 ZINC000103918078 FE Annotated Mild O=C1C=CC=C/C1=C1\NN=C(SCC(=O)N2CCc3ccccc3C2)O1 ZINC000103918153 FE Annotated Mild O=C(NC1=C/C(=C2\Nc3ccccc3S2)C(=O)C=C1)C1=COCCO1 ZINC000103918547 FE Annotated Mild CCN1CCN(C2=N/C(=C3\C=CC=C(OC)C3=O)Nc3ccccc32)CC1 ZINC000103919114 FE Annotated Mild COc1cc(/C=C/C2=N/C(=C3\C=CC=CC3=O)NN2)cc(OC)c1OC ZINC000103919162 FE Annotated Mild COC(CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccn1)OC ZINC000103919635 FE Annotated Mild COC(CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccn1)OC ZINC000103919638 FE Annotated Mild CCN(CC)C(=O)CSc1nc2nncc-2c(O)n1-c1ccccc1 ZINC000103965409 FE Annotated Anodyne CCOC(=O)CC(=O)CSc1nc2nncc-2c(O)n1-c1ccccc1 ZINC000103975501 FE Annotated Anodyne O=C1C=C/C(=C2/CSc3nnc(Cc4ccccc4F)n3N2)C(O)=C1 ZINC000103993888 FE Annotated Mild COc1cc(/C=C/C2=N/C(=C3\C=CC=CC3=O)ON2)ccc1OC(C)=O ZINC000103994750 FE Annotated Mild O=C1C([N+](=O)[O-])=CC=C/C1=C\c1c(-c2ccccc2[N+](=O)[O-])[nH]oc1=O ZINC000104001107 FE Annotated Mild CC(=O)ON/C=C1\C(=O)N2C=CC=C(C)C2=N\C1=N/Cc1ccccc1 ZINC000104002300 FE Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccccn2)cc1 ZINC000104004269 FE Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccn2)cc1 ZINC000104004272 FE Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccn2)cc1 ZINC000104004275 FE Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccn2)cc1 ZINC000104004281 FE Annotated Mild CCOC1=CC(=O)/C(=C2\NC(N)=NC=C2Oc2ccc(OC)cc2)C=C1 ZINC000104004409 FE Annotated Mild COc1ccc(C(=O)NCC(=O)NN/C=C2\C(C)=Nc3ccccc32)cc1 ZINC000104004450 FE Annotated Reactive COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1 ZINC000104004494 FE Annotated Bother O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)N2NC(c3ccccc3)=CC2=N1 ZINC000104008179 FE Annotated Anodyne O[C@@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)N2NC(c3ccccc3)=CC2=N1 ZINC000104008185 FE Annotated Anodyne O[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)N2NC(c3ccccc3)=CC2=N1 ZINC000104008188 FE Annotated Anodyne O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)N=C2C=C(c3ccccc3)NN21 ZINC000104008193 FE Annotated Anodyne Cc1nnc(NC(=O)C2=CC3=N[C@H](C4CC4)C[C@H](C(F)(F)F)N3N2)s1 ZINC000104008454 FE Annotated Anodyne Cc1nnc(NC(=O)C2=CC3=N[C@@H](C4CC4)C[C@H](C(F)(F)F)N3N2)s1 ZINC000104008459 FE Annotated Anodyne Cc1nnc(NC(=O)C2=CC3=N[C@H](C4CC4)C[C@@H](C(F)(F)F)N3N2)s1 ZINC000104008463 FE Annotated Anodyne Cc1nnc(NC(=O)C2=CC3=N[C@@H](C4CC4)C[C@@H](C(F)(F)F)N3N2)s1 ZINC000104008468 FE Annotated Anodyne Cc1ccc(-n2nnnc2CSC2=NNC(=C3C=CC(=O)C=C3)O2)cc1 ZINC000104008526 FE Annotated Mild O=C1C=CC=C/C1=C1\N=C(SCC(=O)N2CCCc3ccccc32)NN1 ZINC000104008816 FE Annotated Mild COC1=C(OC)[C@]23CCc4ccc(OC)c(OC)c4[C@@]2(CCN3C)CC1=O ZINC000104010300 FE Annotated Mild CCN1C(SCC(=O)NCc2ccccc2)=NN/C1=C1/C=CC=CC1=O ZINC000104013239 FE Annotated Mild CCOC(=O)C1=C(c2csc(C)n2)/C(=C2\C(=O)C=C(C)C=C2O)NN1 ZINC000104019336 FE Annotated Mild O=C1C=CC=C/C1=C(/S)N1CCN(/C(S)=C2\C=CC=CC2=O)CC1 ZINC000104020091 FE Annotated Mild COC(=O)CSC1=NN/C(=C2/C=CC=CC2=O)N1c1ccc(C)cc1 ZINC000104023108 FE Annotated Mild COC1=CC(=O)/C(=C2\N=C(N)NC(C(F)(F)F)=C2c2cscn2)C=C1 ZINC000104024740 FE Annotated Mild COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)c1 ZINC000104027856 FE Annotated Mild COc1ccc2c(c1)[C@]1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2 ZINC000104028221 FE Annotated Anodyne COc1ccc2c(c1)[C@@]1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2 ZINC000104028227 FE Annotated Anodyne CN1C(=O)[C@@]2(N=c3ccccc3=C3Nc4ccccc4N32)c2ccccc21 ZINC000104028247 FE Annotated Anodyne CN1C(=O)[C@]2(N=c3ccccc3=C3Nc4ccccc4N32)c2ccccc21 ZINC000104028252 FE Annotated Anodyne Cc1nnc(C)n1N/C=C1\C=C(Br)C=C(Br)C1=O ZINC000104030117 FE Annotated Mild CC1=Nc2ccccc2/C1=C/NNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000104034530 FE Annotated Reactive COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCO)cc1 ZINC000104036137 FE Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCO)cc1 ZINC000104036143 FE Annotated Mild Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCCN1CCCC[C@H]1C)O2 ZINC000104042773 FE Annotated Anodyne O=C(CSc1nnnn1[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc(C(=O)O)cc1 ZINC000104044920 FE Annotated Anodyne O=C(CSc1nnnn1[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc(C(=O)O)cc1 ZINC000104044927 FE Annotated Anodyne CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104091777 FE Annotated Anodyne CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104091781 FE Annotated Anodyne CCOC(=O)[C@H](CC)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 ZINC000104106081 FE Annotated Anodyne CCOC(=O)[C@@H](CC)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 ZINC000104106083 FE Annotated Anodyne CCOC(=O)[C@@H](C)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 ZINC000104107814 FE Annotated Anodyne CCOC(=O)[C@H](C)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1 ZINC000104107817 FE Annotated Anodyne COC(=O)[C@H](C)Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 ZINC000104148370 FE Annotated Anodyne COC(=O)[C@@H](C)Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 ZINC000104148372 FE Annotated Anodyne CCOC(=O)[C@@H](C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 ZINC000104197272 FE Annotated Anodyne CCOC(=O)[C@H](C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 ZINC000104197276 FE Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)Nc1cnc2ccccc2c1 ZINC000104209543 FE Annotated Anodyne COc1cc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc(OC)c1O ZINC000104332113 FE Annotated Anodyne C=C(C)[C@H]1C[C@@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C ZINC000104351994 FE Annotated Mild in-man C=C(C)[C@H]1C[C@@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C ZINC000104351999 FE Annotated Mild in-man C=C(C)[C@H]1C[C@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C ZINC000104352005 FE Annotated Mild in-man C=C(C)[C@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C ZINC000104352011 FE Annotated Mild in-man C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@]21O3 ZINC000104388240 FE Annotated Mild COc1ccc(CN2CCN(Cc3ccon3)C[C@H]2CCO)c(C)c1C ZINC000104402518 FE Annotated Anodyne CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 ZINC000104433833 FE Annotated Anodyne COc1ccc(CN2CCN(Cc3ccccn3)C[C@H]2CCO)c(F)c1 ZINC000104452544 FE Annotated Anodyne CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000104462145 FE Annotated Anodyne CC[C@H]1N[C@H]2C[C@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000104649672 FE Annotated Anodyne CC[C@@H]1N[C@H]2C[C@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000104649675 FE Annotated Anodyne CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/CCN1CCOCC1 ZINC000104702760 FE Annotated Mild Cc1ccc(/C(O)=C/C=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 ZINC000104706017 FE Annotated Mild CC(C)N1CCC(N2CCN(CC#Cc3ccccc3)C[C@H]2CCO)CC1 ZINC000104845795 FE Annotated Mild C[C@H](C(=O)/N=c1\sc2ccccc2n1C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000104990634 FE Annotated Anodyne CC[C@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000105089114 FE Annotated Anodyne CC[C@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000105150961 FE Annotated Clean CC[C@@H]1C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000105150965 FE Annotated Clean CC[C@@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000105150970 FE Annotated Clean Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H]2OC(=O)[C@H](O)[C@@H]2O)cc1C ZINC000105166052 FE Annotated Anodyne CN(C)/N=N/c1ccc(C(=O)NN[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105349044 FE Annotated Reactive CN(C)/N=N/c1ccc(C(=O)NN[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000105349050 FE Annotated Reactive CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O ZINC000105377589 FE Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000105381557 FE Annotated Anodyne O=C1C=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1N2Cc1ccccc1 ZINC000105409235 FE Annotated Mild O=C1C=C[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1N2Cc1ccccc1 ZINC000105409239 FE Annotated Mild O=C1C=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1N2Cc1ccccc1 ZINC000105409245 FE Annotated Mild O=C1C=C[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1N2Cc1ccccc1 ZINC000105409248 FE Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)C(C)C)[C@H](C(=C)C(=O)OC)[C@@H](O)[C@H]1C(=C)CO ZINC000105426870 FE Annotated Anodyne O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C[C@@H]2[C@H]1C2(Cl)Cl ZINC000105486004 FE Annotated Anodyne O=C(OC[C@]12O[C@H]1C=C[C@@H](OC(=O)c1ccccc1)[C@@H]2O)c1ccccc1 ZINC000105491839 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@@H]3C[C@@H]2[C@@H](Cl)[C@@H]3Cl)cc1 ZINC000105503020 FE Annotated Reactive CCN1C(=O)N2[C@H](OC)c3ccccc3[C@H](Br)[C@]2(OC)C1=O ZINC000105503343 FE Annotated Reactive CCN1C(=O)N2[C@H](OC)c3ccccc3[C@@H](Br)[C@]2(OC)C1=O ZINC000105503346 FE Annotated Reactive COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@]2(OC)COC(=O)[C@@H]12)OCO3 ZINC000105517535 FE Annotated Anodyne CC(C)[C@@H]1C[C@@]23CCCN2C(=O)[C@]1(/C=C1\Nc2ccccc2C1=O)NC3=O ZINC000105557108 FE Annotated Mild CC(C)/C1=C\[C@@H]2O[C@]2(C)CC/C=C(/CO)C(=O)CC[C@@H](C)[C@H](O)C1=O ZINC000105579111 FE Annotated Mild CSc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@@H](O)C2)cc1 ZINC000105846592 FE Annotated Anodyne CSc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)C[C@H](O)C2)cc1 ZINC000105846595 FE Annotated Anodyne CCC[C@H](O)CN1CC(C)(C)CN(C(=O)CCc2ccccc2)CC1=O ZINC000105847964 FE Annotated Anodyne CCC[C@@H](O)CN1CC(C)(C)CN(C(=O)CCc2ccccc2)CC1=O ZINC000105847967 FE Annotated Anodyne O=C1CN(C(=O)C2CCCCC2)C[C@@H](O)CN1Cc1ccc(Cl)cc1 ZINC000105848480 FE Annotated Anodyne O=C1CN(C(=O)C2CCCCC2)C[C@H](O)CN1Cc1ccc(Cl)cc1 ZINC000105848484 FE Annotated Anodyne CSc1ccc(C(=O)N2CC(=O)N(CC(C)(C)C)C[C@H](O)C2)cc1 ZINC000105849218 FE Annotated Anodyne CSc1ccc(C(=O)N2CC(=O)N(CC(C)(C)C)C[C@@H](O)C2)cc1 ZINC000105849222 FE Annotated Anodyne O=C1CN(C(=O)c2ccc(Cl)cc2)C[C@@H](O)CN1Cc1cccs1 ZINC000105850707 FE Annotated Anodyne O=C1CN(C(=O)c2ccc(Cl)cc2)C[C@H](O)CN1Cc1cccs1 ZINC000105850710 FE Annotated Anodyne C[C@H](NCCc1ccc(N(C)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 ZINC000011422465 FE Annotated Anodyne O=C1C(=O)N(c2ncccn2)[C@@H](c2cccs2)[C@H]1C(=O)c1ccco1 ZINC000110752176 FE Annotated Anodyne O=C1C(=O)N(c2ncccn2)[C@@H](c2cccs2)[C@@H]1C(=O)c1ccco1 ZINC000110752178 FE Annotated Anodyne O=C1C(=O)N(c2ncccn2)[C@H](c2cccs2)[C@H]1C(=O)c1ccco1 ZINC000110752180 FE Annotated Anodyne O=C1C(=O)N(c2ncccn2)[C@H](c2cccs2)[C@@H]1C(=O)c1ccco1 ZINC000110752184 FE Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccnc2)no1 ZINC000110835169 FE Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccnc2)no1 ZINC000110835173 FE Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccnc2)no1 ZINC000110835176 FE Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccnc2)no1 ZINC000110835179 FE Annotated Anodyne COc1cc(-c2c[nH]n3c(=O)ncnc23)ccc1[S@@](=O)c1ccccc1 ZINC000111426405 FE Annotated Anodyne investigational COc1cc(-c2c[nH]n3c(=O)ncnc23)ccc1[S@](=O)c1ccccc1 ZINC000111426408 FE Annotated Anodyne investigational N[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3C=CC[C@H]12 ZINC000113154951 FE Annotated Anodyne in-vitro COCCN(C)c1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 ZINC000113256876 FE Annotated Mild COCCN(C)c1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 ZINC000113256878 FE Annotated Mild COCCN(C)c1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000113256959 FE Annotated Mild COCCN(C)c1nccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)n1 ZINC000113256962 FE Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CC(F)(F)C3)n2)cc1 ZINC000113412257 FE Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CC(F)(F)C3)n2)cc1 ZINC000113412260 FE Annotated Mild COCCNc1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 ZINC000113412522 FE Annotated Mild COCCNc1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 ZINC000113412524 FE Annotated Mild COc1ncc(C#Cc2ccc([C@@H](C)CNC(=O)c3cn[nH]c3)cc2)cn1 ZINC000113413798 FE Annotated Anodyne COc1ncc(C#Cc2ccc([C@H](C)CNC(=O)c3cn[nH]c3)cc2)cn1 ZINC000113413801 FE Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc2c(c1)OCCO2 ZINC000113894463 FE Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc2c(c1)OCCO2 ZINC000113894466 FE Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc2nsnc2c1 ZINC000113894567 FE Annotated Anodyne O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc2nsnc2c1 ZINC000113894569 FE Annotated Anodyne CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1ccccc1 ZINC000114344264 FE Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1ccccc1 ZINC000114344266 FE Annotated Anodyne CNC[C@@H](Nc1ncnc2c(C(N)=O)ccc(OC)c12)c1ccccc1 ZINC000114345108 FE Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)ccc(OC)c12)c1ccccc1 ZINC000114345110 FE Annotated Anodyne CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(F)c1 ZINC000114345459 FE Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cc(O)cc12)c1cccc(F)c1 ZINC000114345904 FE Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cc(O)cc12)c1cccc(F)c1 ZINC000114345905 FE Annotated Anodyne COCCNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 ZINC000114346331 FE Annotated Anodyne NC(=O)c1cccc2c(N[C@H](Cn3ccnn3)c3ccccc3)ncnc12 ZINC000114346725 FE Annotated Anodyne COc1cccc([C@@H](CN(C)C)Nc2ncnc3c(C(N)=O)cccc23)c1 ZINC000114347216 FE Annotated Anodyne COc1cccc([C@H](CN(C)C)Nc2ncnc3c(C(N)=O)cccc23)c1 ZINC000114347219 FE Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1 ZINC000114348754 FE Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1 ZINC000114348756 FE Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(F)c1 ZINC000114350167 FE Annotated Anodyne COc1cc2sc(-c3c(NCCN(C)C)n[nH]c3N)nc2cc1F ZINC000114400896 FE Annotated Anodyne c1cc2[nH]nc(-c3cnn([C@H]4CCOC4)c3)c2c(OC2CCOCC2)n1 ZINC000114749653 FE Annotated Anodyne c1cc2[nH]nc(-c3cnn([C@@H]4CCOC4)c3)c2c(OC2CCOCC2)n1 ZINC000114749655 FE Annotated Anodyne CC(C)n1cc(-c2n[nH]c3ccnc(OCCN4CCOC4=O)c23)cn1 ZINC000114773120 FE Annotated Anodyne Cn1cc(CNc2cc(C#N)nc(OC[C@H]3C[C@@H]3c3ccccn3)n2)cn1 ZINC000114805256 FE Annotated Mild C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1O ZINC000114813100 FE Annotated Anodyne Nc1n[nH]c2c1[C@@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000114843051 FE Annotated Anodyne Nc1n[nH]c2c1[C@@H]1CCC[C@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000114843054 FE Annotated Anodyne Cc1cccc(-c2cccc3c(O)oc(=O)c(C(=O)NCC(=O)O)c23)c1 ZINC000114872303 FE Annotated Anodyne Cc1ccc(-c2cccc3c(O)oc(=O)c(C(=O)NCC(=O)O)c23)cc1 ZINC000114872827 FE Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@@H](CO)c4cccnc4)c3C2)nc1 ZINC000114994848 FE Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](CO)c4cccnc4)c3C2)nc1 ZINC000114994851 FE Annotated Anodyne CNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 ZINC000011524614 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C(C)=O)c(Br)c2)C(=O)O1 ZINC000011524849 FE Annotated Anodyne CC(=O)NC[C@@H]1CN(c2ccc(C(C)=O)c(Br)c2)C(=O)O1 ZINC000011524850 FE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2[C@@H](O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1 ZINC000011616782 FE Annotated Anodyne in-man Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@@H](O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1 ZINC000011616783 FE Annotated Anodyne in-man Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@@H]3CC[C@](C)([C@H]2O)C3(C)C)cc1 ZINC000011616784 FE Annotated Anodyne in-vitro Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2[C@@H]3CC[C@](C)([C@H]2O)C3(C)C)cc1 ZINC000011616785 FE Annotated Anodyne in-vitro CSc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)c1 ZINC000011661598 FE Annotated Anodyne CSc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)c1 ZINC000011661599 FE Annotated Anodyne COc1c(C)cc(C(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C ZINC000011663048 FE Annotated Anodyne COc1c(C)cc(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C ZINC000011663049 FE Annotated Anodyne Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)Cc2cnn(C)c2)no1 ZINC000011663590 FE Annotated Anodyne COc1cc(-c2[nH]ncc2CN(C)Cc2nonc2C)cc(OC)c1OC ZINC000011663936 FE Annotated Anodyne COCCN1CCC(CN(Cc2ccncc2)Cc2[nH]cnc2C)CC1 ZINC000011664288 FE Annotated Anodyne CCCCn1c(CN(C)CCCN2CCCC2)cnc1S(=O)(=O)CC ZINC000011664620 FE Annotated Anodyne O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCC(=O)N(C2CC2)C1 ZINC000011665066 FE Annotated Anodyne O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCC(=O)N(C2CC2)C1 ZINC000011665067 FE Annotated Anodyne O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC(O)CC1 ZINC000011668191 FE Annotated Anodyne CC(C)N1CCN(c2nc3nonc3nc2NCc2ccccc2)CC1 ZINC000011763520 FE Annotated Anodyne O=C(c1ccc(O)nn1)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 ZINC000011774326 FE Annotated Anodyne O=C(c1ccc(O)nn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 ZINC000011774331 FE Annotated Anodyne CC(C)N(CCO)Cc1nc(N2CCOCC2)c2cc(Cl)ccc2n1 ZINC000011813538 FE Annotated Anodyne CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)C1(N2CCCC2)CCCC1 ZINC000011817134 FE Annotated Anodyne CN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)C1(N2CCCC2)CCCC1 ZINC000011817135 FE Annotated Anodyne CC(C)S(=O)(=O)c1ncc(CN2CCCO2)n1Cc1ccccc1F ZINC000011818532 FE Annotated Anodyne OCc1ccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)o1 ZINC000011819190 FE Annotated Anodyne CC(C)N(Cc1nccn1C)C(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC000011819297 FE Annotated Anodyne Cc1cc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)n[nH]1 ZINC000011819931 FE Annotated Anodyne Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)n[nH]1 ZINC000011819932 FE Annotated Anodyne CC1=C(C(=O)NCc2cccnc2-n2cnc3ccccc32)OCCO1 ZINC000011820596 FE Annotated Anodyne Cc1cnccc1CNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000011821706 FE Annotated Anodyne Cc1cnccc1CNC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000011821707 FE Annotated Anodyne COC(=O)CN(C)C(=O)c1cc(COc2cccc3cnccc23)on1 ZINC000011841650 FE Annotated Anodyne Cc1ccc2c(c1)CN(CCNC(=O)CCc1cnccn1)C[C@@H](C)O2 ZINC000011841696 FE Annotated Anodyne Cc1ccc2c(c1)CN(CCNC(=O)CCc1cnccn1)C[C@H](C)O2 ZINC000011841698 FE Annotated Anodyne COc1ccc(CNCCSC)cc1OC[C@@H](O)CN(C)C(C)C ZINC000011844396 FE Annotated Anodyne COc1ccc(CNCCSC)cc1OC[C@H](O)CN(C)C(C)C ZINC000011844397 FE Annotated Anodyne O=C(O)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000011847374 FE Annotated Anodyne O=C(O)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000011847375 FE Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000011847470 FE Annotated Anodyne CC1(C)O[C@H]2[C@H](COC(=O)c3ccccc3)O[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000011847471 FE Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)c1ccccc1)O[C@@H]1OC(C)(C)O[C@@H]21 ZINC000011847473 FE Annotated Anodyne O=C1N[C@@H](c2cccnc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000011859143 FE Annotated Anodyne O=C(c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)N(CCO)CCO ZINC000011873380 FE Annotated Anodyne CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000011879058 FE Annotated Anodyne CN1CCN(C(=O)CC[C@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000011879059 FE Annotated Anodyne O=C(NCC1(O)CCCCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000011879095 FE Annotated Anodyne O=C(NCC1(O)CCCCC1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000011879096 FE Annotated Anodyne COc1cccc(OCc2cc(C(=O)N(C)Cc3nccn3C)no2)c1 ZINC000011935191 FE Annotated Anodyne Cn1ccnc1CN1C[C@H]2[C@@H](C1)OC(=O)N2CCCc1ccc(F)cc1 ZINC000011936375 FE Annotated Anodyne O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@@H](O)C1 ZINC000011937871 FE Annotated Anodyne O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@H](O)C1 ZINC000011937872 FE Annotated Anodyne c1cc(C2CCN(c3nc4nonc4nc3N3CCCC3)CC2)ccn1 ZINC000011938579 FE Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC000011953695 FE Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC000011953700 FE Annotated Anodyne COc1ccc(CCN2C[C@@H](C(=O)N3CCSCC3)CCC2=O)cc1 ZINC000011956515 FE Annotated Anodyne COc1ccc(CCN2C[C@H](C(=O)N3CCSCC3)CCC2=O)cc1 ZINC000011956518 FE Annotated Anodyne CN1CCCCC[C@@H]1C(=O)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000011981222 FE Annotated Anodyne CN1CCCCC[C@H]1C(=O)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000011981227 FE Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 ZINC000115622257 FE Annotated Anodyne CC(C)Nc1nc(-c2ccc(C3(N)CC3)nc2)cc2ncn(C)c(=O)c12 ZINC000115622591 FE Annotated Anodyne CCNc1nc(-c2ccc(C3CCNCC3)nc2)cc2ncn(C)c(=O)c12 ZINC000115624220 FE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)N)nc3)nc(NC3CC3)c2c1=O ZINC000115624456 FE Annotated Anodyne CC(=O)Nc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 ZINC000115624738 FE Annotated Anodyne CC(C)Nc1nc(-c2ccc(C(=N)NO)cc2)cc2ncn(C)c(=O)c12 ZINC000115624999 FE Annotated Anodyne CC(C)Nc1nc(-c2ccc(C(C)(C)N)nc2)cc2ncn(C)c(=O)c12 ZINC000115625151 FE Annotated Anodyne CC(C)N(C)c1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115625497 FE Annotated Anodyne CC(C)Oc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115625522 FE Annotated Anodyne COCCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1 ZINC000115625598 FE Annotated Anodyne COCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12 ZINC000115625615 FE Annotated Anodyne CCNc1nc(-c2ccc(S(=O)(=O)CC)cc2)cc2ncn(C)c(=O)c12 ZINC000115626571 FE Annotated Anodyne COCCNc1nc(-c2ccc(OC)c(F)c2)cc2ncn(C)c(=O)c12 ZINC000115626704 FE Annotated Anodyne CN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 ZINC000115626854 FE Annotated Anodyne Cc1cn(-c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cn2)cn1 ZINC000115627577 FE Annotated Anodyne Nc1nc2c3c(F)cc(F)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 ZINC000116236566 FE Annotated Anodyne O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC[C@H]1c1nnn[nH]1 ZINC000116296356 FE Annotated Anodyne O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCCC[C@@H]1c1nnn[nH]1 ZINC000116296359 FE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccnc5ncccc45)C[C@@H]32)n1 ZINC000116826486 FE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cnnc5ccccc45)C[C@H]3C2)n1 ZINC000116826793 FE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cnnc5ccccc45)C[C@@H]3C2)n1 ZINC000116826794 FE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cnnc5ccccc45)C[C@H]3C2)n1 ZINC000116826796 FE Annotated Anodyne Cc1ncsc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1 ZINC000117365297 FE Annotated Anodyne C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccc[nH]2)CC1 ZINC000117375161 FE Annotated Anodyne C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccc[nH]2)CC1 ZINC000117375165 FE Annotated Anodyne C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccccn2)CC1 ZINC000117387129 FE Annotated Anodyne C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccccn2)CC1 ZINC000117387132 FE Annotated Anodyne CN1Cc2cc(-c3ccc(/C=C4\NC(=S)NC4=O)s3)ccc2C1=O ZINC000117897908 FE Annotated Anodyne CON=C1CCN(Cc2cc(OC)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1 ZINC000118734671 FE Annotated Mild Cc1cc(C)n(CCNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)n1 ZINC000012000242 FE Annotated Anodyne Cc1cc(C)n(CCNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)n1 ZINC000012000247 FE Annotated Anodyne COc1ccccc1CN1C(=O)O[C@@H]2CN(c3nc(C)cnc3C)C[C@@H]21 ZINC000012000701 FE Annotated Anodyne CN(Cc1cnn(C)c1)c1nc2nonc2nc1NCc1cccs1 ZINC000012003640 FE Annotated Anodyne COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cccnc2)O3)nn1 ZINC000012021030 FE Annotated Anodyne COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cccnc2)O3)nn1 ZINC000012021036 FE Annotated Anodyne Cc1cc(-c2ccnc(-n3ncc(C(=O)N(C)CCO)c3C)n2)c(C)s1 ZINC000012024302 FE Annotated Anodyne COc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc1OC ZINC000012058511 FE Annotated Anodyne COc1ccc(C(=O)[C@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc1OC ZINC000012058513 FE Annotated Anodyne CC[C@H]1C(=O)NCCN1C(=O)c1cc(COc2cc(C)ccc2C)on1 ZINC000012058652 FE Annotated Anodyne CC[C@@H]1C(=O)NCCN1C(=O)c1cc(COc2cc(C)ccc2C)on1 ZINC000012058654 FE Annotated Anodyne COCCc1nc2ccc(C(=O)NCCc3nc(C)cc(C)n3)cc2o1 ZINC000012074490 FE Annotated Anodyne CCCn1cc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)c(C)n1 ZINC000012075296 FE Annotated Anodyne CCCn1cc(CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)c(C)n1 ZINC000012075300 FE Annotated Anodyne COc1cccc(OCc2cc(C(=O)N(C)Cc3nonc3C)no2)c1 ZINC000012091086 FE Annotated Anodyne Cc1nnsc1C(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000012128941 FE Annotated Anodyne Cc1nnsc1C(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000012128947 FE Annotated Anodyne Cc1cc2c(c(-c3cnccn3)c1)O[C@H](CNC(=O)[C@@H]1CCCN(C)C1)C2 ZINC000012130860 FE Annotated Anodyne Cc1cc2c(c(-c3cnccn3)c1)O[C@H](CNC(=O)[C@H]1CCCN(C)C1)C2 ZINC000012130866 FE Annotated Anodyne CC(C)Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)on1 ZINC000012198356 FE Annotated Anodyne CC(C)Cc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)on1 ZINC000012198362 FE Annotated Anodyne O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H]1c1nccs1 ZINC000012204799 FE Annotated Anodyne O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@H]1c1nccs1 ZINC000012204807 FE Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)Cn2cncn2)C1 ZINC000012209928 FE Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)Cn2cncn2)C1 ZINC000012209933 FE Annotated Anodyne O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000012300867 FE Annotated Anodyne O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000012300870 FE Annotated Anodyne CCn1ccnc1CN(C)Cc1nc(-c2ccc(C(=O)OC)cc2)no1 ZINC000012302658 FE Annotated Anodyne CCCCn1c(CN2CC[C@H](O)C2)cnc1S(=O)(=O)C1CCCCC1 ZINC000012302818 FE Annotated Anodyne CCN(CC)C[C@@H](O)COc1ccc(CNCc2ccncc2)cc1OC ZINC000012304723 FE Annotated Anodyne CCN(CC)C[C@H](O)COc1ccc(CNCc2ccncc2)cc1OC ZINC000012304724 FE Annotated Anodyne CC(C)N(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000012305067 FE Annotated Anodyne CC(C)N(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000012305069 FE Annotated Anodyne c1ccc(CO[C@@H]2CCCN(Cc3nc(-c4cnccn4)no3)C2)nc1 ZINC000012305163 FE Annotated Anodyne c1ccc(CO[C@H]2CCCN(Cc3nc(-c4cnccn4)no3)C2)nc1 ZINC000012305165 FE Annotated Anodyne O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000012305847 FE Annotated Anodyne O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000012305848 FE Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(COc3ccc(C)nc3)on2)C1 ZINC000012305981 FE Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cc(COc3ccc(C)nc3)on2)C1 ZINC000012305983 FE Annotated Anodyne COc1ccc(N[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1 ZINC000012313793 FE Annotated Anodyne COc1ccc(N[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1 ZINC000012313794 FE Annotated Anodyne CCOC(=O)C1(CCOC)CCN(C(=O)[C@@H]2CCOC(C)(C)C2)CC1 ZINC000012315004 FE Annotated Anodyne CCOC(=O)C1(CCOC)CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1 ZINC000012315005 FE Annotated Anodyne NC(=O)[C@@H]1CCCN1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000012315487 FE Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCSC)CC1 ZINC000012315801 FE Annotated Anodyne CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCSC)CC1 ZINC000012315802 FE Annotated Anodyne O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@H]1CO ZINC000012320542 FE Annotated Anodyne CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000012338857 FE Annotated Clean O=C(O)Cn1nc(-c2ccccc2)cc(NCCc2ccccn2)c1=O ZINC000012343980 FE Annotated Anodyne CNC(=O)n1cc(Br)c(/C=N\OCc2ccc(OC)cc2)n1 ZINC000012368186 FE Annotated Mild CC(=O)[C@H]1[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377544 FE Annotated Anodyne CC(=O)[C@H]1[C@H](c2ccc(OC(F)F)cc2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377546 FE Annotated Anodyne CC(=O)[C@H]1[C@@H](c2ccccc2OC(F)F)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377548 FE Annotated Anodyne CC(=O)[C@H]1[C@H](c2ccccc2OC(F)F)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377550 FE Annotated Anodyne CC(=O)[C@H]1[C@@H](c2ccc3ncccc3c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377577 FE Annotated Anodyne CC(=O)[C@H]1[C@H](c2ccc3ncccc3c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000012377578 FE Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] ZINC000012380030 FE Annotated Bother COc1ccc(-c2cnnc(N3CCN(c4ccncc4)CC3)n2)cc1F ZINC000012385607 FE Annotated Anodyne CN(C[C@@H]1COCCO1)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000012387276 FE Annotated Anodyne CN(C[C@H]1COCCO1)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000012387277 FE Annotated Anodyne C=C(C)C[C@@H]1N(c2cccc(OC)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]21O3 ZINC000012404556 FE Annotated Mild C=C(C)C[C@H]1N(c2cccc(OC)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]21O3 ZINC000012404557 FE Annotated Mild CCCCn1c(=O)c2nc(CCCCC(=O)O)[nH]c2n(CCCC)c1=O ZINC000012405705 FE Annotated Anodyne c1cncc(OC2CCN(c3nc4nonc4nc3N3CCCC3)CC2)c1 ZINC000012429737 FE Annotated Anodyne Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)n1 ZINC000012430689 FE Annotated Anodyne Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)n1 ZINC000012430690 FE Annotated Anodyne CCn1ccnc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000012431867 FE Annotated Anodyne CCn1ccnc1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000012431868 FE Annotated Anodyne CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 ZINC000012434483 FE Annotated Anodyne CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 ZINC000012434484 FE Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1/C=C/c1ccccc1 ZINC000012436559 FE Annotated Anodyne COC(=O)[C@@]1([C@@H](C[N+](=O)[O-])c2ccc(C)cc2)C(=O)NC[C@@H]1c1ccco1 ZINC000012437195 FE Annotated Bother COCCNc1nc2nonc2nc1N(C)Cc1cccc2cnccc12 ZINC000012437802 FE Annotated Anodyne Cc1nonc1CN(C)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 ZINC000012446056 FE Annotated Anodyne O=C(CN1CCOC1=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000012449505 FE Annotated Anodyne Cc1nonc1CN1C(=O)CC[C@@H]1CCNCCOc1ccc(F)cc1 ZINC000012452608 FE Annotated Anodyne Cc1nonc1CN1C(=O)CC[C@H]1CCNCCOc1ccc(F)cc1 ZINC000012452611 FE Annotated Anodyne CCOC(=O)c1s/c(=N/C(=O)c2ccc(OC)c(OC)c2)n(C)c1C ZINC000012469865 FE Annotated Anodyne COc1ccc(CN2CCC(=O)N([C@H](CO)CC(C)C)CC2)cc1OC ZINC000012474373 FE Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000012479514 FE Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000012479592 FE Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000012480013 FE Annotated Anodyne C[C@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@@H](OCCCCO)C1 ZINC000012482472 FE Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C(C)(C)C)[C@H]1CCCO ZINC000012482595 FE Annotated Anodyne CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(CC)c([N+](=O)[O-])c1)n2C ZINC000012485088 FE Annotated Bother C[C@@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@H](OCCCCO)C1 ZINC000012487825 FE Annotated Anodyne COC1=CC=C/C(=C\NNC(=O)c2c(C)nc3ccc(Cl)cn23)C1=O ZINC000012508133 FE Annotated Reactive Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)s1 ZINC000012573522 FE Annotated Anodyne Cc1ccc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)s1 ZINC000012573531 FE Annotated Anodyne CCOC(=O)C1(Cc2ccccc2Cl)CCN(S(C)(=O)=O)CC1 ZINC000012578305 FE Annotated Anodyne CN(C)C(=O)CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012578859 FE Annotated Anodyne CN(C)C(=O)CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012578864 FE Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3ccc(F)cc3OC)C2)C1=O ZINC000012581833 FE Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3ccc(F)cc3OC)C2)C1=O ZINC000012581839 FE Annotated Anodyne CCCn1cc(CNCc2cccnc2N2CCCN(C)CC2)c(C)n1 ZINC000012586539 FE Annotated Anodyne CC1=C(C(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)OCCO1 ZINC000012587453 FE Annotated Anodyne CC1=C(C(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)OCCO1 ZINC000012587458 FE Annotated Anodyne CCNC(=O)N1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000012595161 FE Annotated Anodyne Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCn4cncn4)C3)C2)c1 ZINC000012612798 FE Annotated Anodyne Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCn4cncn4)C3)C2)c1 ZINC000012612803 FE Annotated Anodyne CC[C@@H](NC(=O)Cn1nnnc1CN1CCCCCC1)c1ccc(F)cc1 ZINC000012706871 FE Annotated Anodyne CC[C@H](NC(=O)Cn1nnnc1CN1CCCCCC1)c1ccc(F)cc1 ZINC000012706878 FE Annotated Anodyne COC[C@@H]1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 ZINC000012707779 FE Annotated Anodyne COC[C@H]1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 ZINC000012707783 FE Annotated Anodyne O=C(NCc1ccon1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012710234 FE Annotated Anodyne O=C(NCc1ccon1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012710242 FE Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(S(C)(=O)=O)C1 ZINC000012710613 FE Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(S(C)(=O)=O)C1 ZINC000012710617 FE Annotated Anodyne CCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)on1 ZINC000012712659 FE Annotated Anodyne CCc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)on1 ZINC000012712665 FE Annotated Anodyne COCCN1CCC(CN(CCCn2cccn2)C[C@@H]2CCCO2)CC1 ZINC000012713456 FE Annotated Anodyne COCCN1CCC(CN(CCCn2cccn2)C[C@H]2CCCO2)CC1 ZINC000012713461 FE Annotated Anodyne O=C(CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)N1CCCCC1 ZINC000012732157 FE Annotated Anodyne CSc1ccc(CNC(=O)Cn2nnnc2CN2CCCCCC2)cc1 ZINC000012758361 FE Annotated Anodyne O=C(c1cncs1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012758531 FE Annotated Anodyne O=C(c1cncs1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012758536 FE Annotated Anodyne NC(N)=N/N=C/c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cl)cn12 ZINC000013005170 FE Annotated Mild Cc1sc2nc(-c3cccc([N+](=O)[O-])c3)c(/C=N/N=C(N)N)n2c1C ZINC000013005178 FE Annotated Mild Cc1sc2nc(-c3ccc([N+](=O)[O-])cc3)c(/C=N/N=C(N)N)n2c1C ZINC000013005180 FE Annotated Mild C[C@@H]1CCC/C=C/[C@@H]2C[C@@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 ZINC000013099561 FE Annotated Anodyne C[C@@H]1CCC/C=C\[C@@H]2C[C@@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 ZINC000013099562 FE Annotated Anodyne Cc1ccc(NC[C@@H](O)[C@@H](O)[C@@H](O)CO)c(/N=N/c2ccccc2)c1C ZINC000013110579 FE Annotated Clean CC(C)C[C@@H](CO)N1CCN(C(=O)c2ccc(Cl)cc2)CCC1=O ZINC000013111153 FE Annotated Anodyne CC(C)C[C@H](CO)N1CCN(C(=O)c2ccc(Cl)cc2)CCC1=O ZINC000013111154 FE Annotated Anodyne CC(C)C[C@@H](CO)N1CCN(C(=O)c2cccc(Cl)c2)CCC1=O ZINC000013111157 FE Annotated Anodyne CC(C)C[C@H](CO)N1CCN(C(=O)c2cccc(Cl)c2)CCC1=O ZINC000013111158 FE Annotated Anodyne N#C/C(C(N)=O)=c1\ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31N=2 ZINC000013116315 FE Annotated Mild N#C/C(C(N)=O)=c1\ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2 ZINC000013116316 FE Annotated Mild c1ccc2c(c1)nc1n2[C@@]2(N3CCOCC3)CCC[C@H]2[C@H]1N1CCOCC1 ZINC000013116370 FE Annotated Anodyne CCCn1c(=C(C#N)C#N)s/c(=C2/C=Cc3ccccc3N2CC)c1=O ZINC000013116444 FE Annotated Mild O=C1CN(O)C(c2ccccc2Cl)=c2cc(Br)ccc2=N1 ZINC000013118185 FE Annotated Anodyne Cc1cc(/N=N/c2ccccc2)c(NC[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1C ZINC000013118292 FE Annotated Clean O=C(O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 ZINC000013118567 FE Annotated Anodyne O=C(O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000013118580 FE Annotated Anodyne O=C(C1=C[C@@H](c2ccccc2)C[C@@H](OCCCCO)O1)N1CCOCC1 ZINC000013118601 FE Annotated Anodyne O=C(C1=C[C@H](c2ccccc2)C[C@H](OCCCCO)O1)N1CCOCC1 ZINC000013118608 FE Annotated Anodyne O=C1C=CC=C/C1=C\NNc1cc(N2CCCC2)nc(N2CCCC2)n1 ZINC000013118856 FE Annotated Mild COC1=C/C(=C/NNC(=O)C2(O)c3ccccc3-c3ccccc32)C=CC1=O ZINC000013119075 FE Annotated Reactive CCOC1=C/C(=C/NNc2cc(C)nc(-n3nc(C)cc3C)n2)C=CC1=O ZINC000013119099 FE Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NNC(=S)NCc2ccccc2)C=C1 ZINC000013119267 FE Annotated Mild CS/C(N)=N/N/C=C1\C=C(Br)C=C(Br)C1=O ZINC000013119297 FE Annotated Mild O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1[nH]ncc1Br ZINC000013119330 FE Annotated Reactive CCOC1=CC=C/C(=C\NNC(=S)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000013120099 FE Annotated Mild COC1=CC=C/C(=C\NNc2ncnc3c2ncn3Cc2ccccc2)C1=O ZINC000013120371 FE Annotated Mild Cc1nc(C)c(C(=O)NN/C=C2\C=C(Br)C=CC2=O)s1 ZINC000013120439 FE Annotated Reactive C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@H](C)c1ccccc1)C2=O ZINC000013121094 FE Annotated Anodyne C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@H](C)c1ccccc1)C2=O ZINC000013121095 FE Annotated Anodyne O=C1C(Br)=CC(=CNNC(=O)C2CC2)C=C1Br ZINC000013122091 FE Annotated Reactive CN(C)c1nc(NN/C=C2\C=CC=CC2=O)nc(Nc2ccc(F)cc2)n1 ZINC000013122283 FE Annotated Mild NC(=S)NN/C=C1\C(=O)C(Br)=Cc2oc3c(c21)CCCC3 ZINC000013122477 FE Annotated Mild COC(=O)c1nc2n(n1)[C@H](c1ccccc1OC)C1=C(CCCC1=O)N2 ZINC000013123671 FE Annotated Mild COC(=O)c1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(CCCC1=O)N2 ZINC000013123672 FE Annotated Mild CC(NNC(=O)CSc1nc2ccccc2n1C)=C1C=CC(=O)C=C1 ZINC000013124167 FE Annotated Reactive COC1=C/C(=C/NNC2=NC(=O)[C@@H](Cc3ccc(F)cc3)S2)C=CC1=O ZINC000013124895 FE Annotated Mild COC1=C/C(=C/NNC2=NC(=O)[C@H](Cc3ccc(F)cc3)S2)C=CC1=O ZINC000013124896 FE Annotated Mild COC1=C/C(=C/NNC(=O)c2c(-c3ccccc3)noc2C)C=CC1=O ZINC000013125196 FE Annotated Reactive NC(=O)Cc1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1 ZINC000013125507 FE Annotated Mild Cc1ccc(S(=O)(=O)NN/C=C2\C=C(Br)C=CC2=O)cc1 ZINC000013125699 FE Annotated Mild CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1=C1C=CC(=O)C(OC)=C1 ZINC000013125943 FE Annotated Mild COC1=CC(Br)=C/C(=C\NNC(=O)Cc2ccccc2)C1=O ZINC000013126042 FE Annotated Reactive COC1=CC(=CNNC(=O)c2csc3c2CCCC3)C=C(OC)C1=O ZINC000013126154 FE Annotated Reactive COC1=CC=C/C(=C\NNC(=O)c2c(-c3ccccc3)noc2C)C1=O ZINC000013130108 FE Annotated Reactive COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)O)=CC3=N2)cc1OC ZINC000013130319 FE Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)O)=CC3=N2)cc1OC ZINC000013130321 FE Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)O)=CC3=N2)cc1OC ZINC000013130323 FE Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)O)=CC3=N2)cc1OC ZINC000013130324 FE Annotated Anodyne COC1=CC(=CNN2CCN(Cc3ccc(C)cc3)CC2)C=C(OC)C1=O ZINC000013130346 FE Annotated Mild O=C(O)[C@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2 ZINC000013130908 FE Annotated Anodyne COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)O)C3=N2)cc1OC ZINC000013131100 FE Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)O)C3=N2)cc1OC ZINC000013131101 FE Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)O)C3=N2)cc1OC ZINC000013131103 FE Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)O)C3=N2)cc1OC ZINC000013131105 FE Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCNC(=O)C[C@@H]2Oc3ccccc3NC2=O)C1 ZINC000013131516 FE Annotated Anodyne Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCCN1CCCC[C@H]1C)O2 ZINC000013132096 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C2/CC(=O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000013133059 FE Annotated Mild O=C(N1CCOCC1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000013136895 FE Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000013136908 FE Annotated Anodyne Cc1ccc(/C=N\NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000013138398 FE Annotated Mild O=C(N/N=C\c1ccccc1Cl)c1nc(=O)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000013140371 FE Annotated Reactive C/C(=N/NC(=O)CSc1nc(C)[nH]c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000013142612 FE Annotated Reactive CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 ZINC000013142888 FE Annotated Anodyne CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 ZINC000013142889 FE Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2C/C(=N\NC(N)=O)c1ccccc1 ZINC000013143853 FE Annotated Reactive COc1ccc2c(c1OC)C(=O)O[C@H]2C/C(=N\NC(N)=O)c1ccccc1 ZINC000013143854 FE Annotated Reactive COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@H](C)O[C@@H](C)C1 ZINC000013146724 FE Annotated Anodyne CCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@]23C=C[C@H]1O3 ZINC000013147387 FE Annotated Anodyne CCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@]23C=C[C@H]1O3 ZINC000013147388 FE Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Nc1cnc2ccccc2c1 ZINC000013150606 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1cnc2ccccc2c1 ZINC000013150607 FE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 ZINC000013151302 FE Annotated Anodyne C[C@H](C(=O)/N=c1\sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000013152637 FE Annotated Anodyne c1ccc(-n2c(Cc3cn4ccsc4n3)nnc2N2CCOCC2)cc1 ZINC000013152643 FE Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(C)s1 ZINC000013153251 FE Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(C)s1 ZINC000013153253 FE Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000013153712 FE Annotated Bother CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1[N+](=O)[O-] ZINC000013153746 FE Annotated Bother CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1[N+](=O)[O-] ZINC000013153747 FE Annotated Bother NC(=O)c1cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1N1CCCCC1 ZINC000013154025 FE Annotated Anodyne CCCCCNC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O ZINC000013215495 FE Annotated Mild NC(N)=N/N=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sccn12 ZINC000013219903 FE Annotated Mild COc1cc(O)c2c(c1)C(=O)c1cc(OC(C)=O)c(C(C)=O)cc1C2=O ZINC000013307123 FE Annotated Clean COC(=O)C[C@@]1(CCN(C)C)OC(=O)c2c1ccc1ccc(OC)c(O)c21 ZINC000013307417 FE Annotated Anodyne C/C=C1\CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000013309666 FE Annotated Anodyne C/C1=C\C(=O)[C@@H](C(C)C)C[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1 ZINC000013324989 FE Annotated Mild C/C1=C\C(=O)[C@@H](C(C)C)C[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1 ZINC000013324992 FE Annotated Mild CCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O ZINC000013334191 FE Annotated Clean C[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C(=O)C=CC(C)(C)[C@H]1C(=O)O ZINC000013339278 FE Annotated Mild in-vitro biogenic COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(O)c(OC)c(OC)c42)C3=CC1=O ZINC000013359558 FE Annotated Mild in-vitro COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(OC)c(O)c42)C3=CC1=O ZINC000013359561 FE Annotated Mild CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)O[C@]1(OC)C(=O)OC ZINC000013366070 FE Annotated Mild in-vivo CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)O[C@@]1(OC)C(=O)OC ZINC000013366073 FE Annotated Mild in-vivo CO[C@@H](CO)C(=O)O[C@@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000013367674 FE Annotated Bother CO[C@@H](CO)C(=O)O[C@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000013367677 FE Annotated Bother O=C1C=C2O[C@@]3(O)C[C@@H](O)c4c(O)cccc4C3=C2c2cccc(O)c21 ZINC000013368999 FE Annotated Mild CO[C@]1(Cc2c[nH]c3cc(Br)ccc23)C(=O)N(C)C(=N)N1C ZINC000013371054 FE Annotated Anodyne COc1cc2c(cc1O)[C@H](c1cc(O)c(O)c(OC)c1)C1=C(COC1=O)C2 ZINC000013371290 FE Annotated Clean CO[C@]1(O)C(=O)c2c(O)cc(C)c3c4c(c(O)c(c23)C1=O)C(C)(C)[C@@H](C)O4 ZINC000013374246 FE Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(=O)O[C@@H]3C ZINC000013374708 FE Annotated Clean CCc1c(O)c2c(c(O)c1C(=O)O)C(=O)c1c(OC)cc(OC)cc1C2=O ZINC000013374713 FE Annotated Clean COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H]1CCO[C@H]1O3 ZINC000013374832 FE Annotated Clean COc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2 ZINC000013376916 FE Annotated Anodyne COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2 ZINC000013376919 FE Annotated Anodyne in-vitro biogenic CC(C)(O)[C@H](O)Cc1c(O)ccc(CCC(=O)c2ccc(O)cc2)c1O ZINC000013379867 FE Annotated Anodyne CC(C)(O)[C@@H](O)Cc1c(O)ccc(CCC(=O)c2ccc(O)cc2)c1O ZINC000013379868 FE Annotated Anodyne CC(C)(O)[C@H](O)Cc1c(O)ccc(C(=O)CCc2ccc(O)cc2)c1O ZINC000013379889 FE Annotated Anodyne CC(C)(O)[C@@H](O)Cc1c(O)ccc(C(=O)CCc2ccc(O)cc2)c1O ZINC000013379890 FE Annotated Anodyne COc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C[C@@H](C(C)(C)O)O2 ZINC000013382559 FE Annotated Bother COc1cc(OS(=O)(=O)O)c2c(cc(O)c3c(=O)cc(C)oc32)c1C ZINC000013384042 FE Annotated Bother in-vitro biogenic COC(=O)/C=C1\OC(=O)c2c1ccc1c(CCN(C)C)cc(OC)c(O)c21 ZINC000013385637 FE Annotated Anodyne COC(=O)C[C@H]1OC(=O)c2c1ccc1c(CCN(C)C)cc(OC)c(O)c21 ZINC000013385638 FE Annotated Anodyne COC(=O)Cc1c(/C(Cl)=C/C(=O)O)oc2cc(C)cc(O)c2c1=O ZINC000013386381 FE Annotated Anodyne COc1cc(O)c2nc3n(c(=O)c2c1)-c1ccccc1C(=O)N1CCC[C@@H]31 ZINC000013397518 FE Annotated Anodyne O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@@H]2O[C@@H]2[C@@H]3O)c2cccc(O)c21 ZINC000013398683 FE Annotated Anodyne O=C1CC[C@H](c2ccc(O)c3c2C(=O)C[C@H](O)[C@@H]3O)c2cccc(O)c21 ZINC000013398716 FE Annotated Anodyne CC(=O)O[C@H]1Oc2cc(O)ccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O ZINC000013404459 FE Annotated Clean CC1(C)Oc2cc(O)c3c(c2C[C@H]1O)OC[C@H](c1ccc(O)cc1O)C3=O ZINC000013416199 FE Annotated Anodyne in-man CC1(C)Oc2cc(O)c3c(c2C[C@@H]1O)OC[C@H](c1ccc(O)cc1O)C3=O ZINC000013416202 FE Annotated Anodyne in-man CC1(C)Oc2cc(O)c3c(c2C[C@H]1O)OC[C@@H](c1ccc(O)cc1O)C3=O ZINC000013416205 FE Annotated Anodyne in-man CC1(C)Oc2cc(O)c3c(c2C[C@@H]1O)OC[C@@H](c1ccc(O)cc1O)C3=O ZINC000013416208 FE Annotated Anodyne in-man COc1cc(CCNC(=O)/C=C/S(C)(=O)=O)ccc1OCC=C(C)C ZINC000013431344 FE Annotated Anodyne in-vitro biogenic CC(=O)C[C@@H]1CCc2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O1 ZINC000013435033 FE Annotated Clean COc1ccc([C@@H](O)Cn2cc[nH]c2=O)cc1OC1Cc2ccccc2C1 ZINC000013438911 FE Annotated Anodyne COc1ccc([C@H](O)Cn2cc[nH]c2=O)cc1OC1Cc2ccccc2C1 ZINC000013438914 FE Annotated Anodyne O=P(O)(O)[C@@H](NCc1ccccc1)c1cccc2nc(O)c(O)nc12 ZINC000013440487 FE Annotated Anodyne O=P(O)(O)[C@H](NCc1ccccc1)c1cccc2nc(O)c(O)nc12 ZINC000013440489 FE Annotated Anodyne O=C(O)CCCCNC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2 ZINC000013440564 FE Annotated Anodyne O=C(O)C1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440568 FE Annotated Anodyne O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12 ZINC000013448970 FE Annotated Anodyne O=C(O)C(I)=C(Br)Br ZINC000013450469 FE Annotated Anodyne O=C(NS(=O)(=O)c1cccc2ccccc12)c1ccc(C(=O)O)nc1 ZINC000013450944 FE Annotated Anodyne C[C@@H]1C(=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000013455888 FE Annotated Anodyne in-vitro biogenic Oc1c2c(cc3c1C1=Cc4ccc5c(c4[C@@H](O)N1CC3)OCO5)OCO2 ZINC000013459009 FE Annotated Anodyne CC(C)Cc1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470434 FE Annotated Mild Cc1ccc2c(c1Cl)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470476 FE Annotated Mild CC(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)Cc1c(C)[nH]c2ccc(F)cc12 ZINC000013471519 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 ZINC000013472642 FE Annotated Anodyne CCCc1cc(C2=N[C@@H](C(=O)NO)CO2)cc(OC(F)(F)F)c1OC ZINC000013474875 FE Annotated Anodyne C=CCCOc1ccc(C2=N[C@H](C(=O)NO)CO2)cc1OC(F)(F)F ZINC000013474879 FE Annotated Mild C=CCCOc1ccc(C2=N[C@@H](C(=O)NO)CO2)cc1OC(F)(F)F ZINC000013474880 FE Annotated Mild Cc1ccc(NC[C@@H](O)[C@H](O)[C@@H](O)CO)c(/N=N/c2ccccc2)c1C ZINC000013476172 FE Annotated Clean COc1cc2c(cc1O)-c1c(OC)cc(/C=C/C=O)cc1[C@H](CO)[C@H]2O ZINC000013480335 FE Annotated Reactive Cc1c(O)c(C=O)c(O)c2c1OC[C@H](Cc1ccc3c(c1)OCO3)C2=O ZINC000013481901 FE Annotated Anodyne Cc1c(O)c(C)c2c(c1O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)[C@H](O)O2 ZINC000013481972 FE Annotated Anodyne Cc1c(O)c(C)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)[C@H](O)O2 ZINC000013481973 FE Annotated Anodyne in-vitro biogenic COc1cc(OC)c(OC)cc1/C=N/N=C(\S)NC[C@@H]1CCCO1 ZINC000013482218 FE Annotated Mild CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000013486241 FE Annotated Anodyne in-man endogenous CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@@H](O)[C@@H]3C)C[C@H]2OC1=O ZINC000013486242 FE Annotated Anodyne in-man CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000013486243 FE Annotated Anodyne in-man CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O ZINC000013486244 FE Annotated Anodyne in-man Nc1cc2cc(C(=O)O)nc(C(=O)c3ccc4c(c3)OCO4)c2cc1O ZINC000013490173 FE Annotated Anodyne COc1ccc(-c2cc(NC(=O)C(=O)O)c(C(=O)O)s2)cc1OC ZINC000013491465 FE Annotated Anodyne O=C(Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)OCc1ccccc1 ZINC000013492638 FE Annotated Anodyne O=C(Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)Oc1ccccc1 ZINC000013492643 FE Annotated Anodyne CSCCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2 ZINC000013493550 FE Annotated Anodyne Cc1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1Cl ZINC000013517056 FE Annotated Anodyne CNCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000013522316 FE Annotated Anodyne in-vivo COCC[C@H]1[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000013522323 FE Annotated Anodyne in-vivo CC[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N ZINC000013525434 FE Annotated Anodyne CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2S1(=O)=O ZINC000013525449 FE Annotated Anodyne O=C(O)c1nc2c(O)nc3cc(C(F)(F)F)c(-n4cccc4)cc3n2n1 ZINC000013532593 FE Annotated Anodyne CCOC(=O)c1nc2c(O)nc3cc(C(F)(F)F)c([N+](=O)[O-])cc3n2n1 ZINC000013532632 FE Annotated Bother C[C@H]1COc2c(N3CC[C@@H](C(C)(C)N)C3)ccc3c(=O)c(C(=O)O)cn1c23 ZINC000013535550 FE Annotated Anodyne O=C1Nc2ccc(F)c3c(S(=O)(=O)CCO)cc(-c4ccc[nH]4)c1c23 ZINC000013535991 FE Annotated Anodyne NCCS(=O)(=O)c1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O ZINC000013535996 FE Annotated Anodyne O=C(CCN1CCCCC1)N1CCc2[nH]c(=O)c3cc(F)ccc3c2C1 ZINC000013536336 FE Annotated Anodyne CN(C)C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)CN(O)C=O)C(C)(C)C ZINC000013537003 FE Annotated Anodyne C/C=C(\C)C(=O)NCCN1C2=NC[C@H](C)N2C[C@@H]1Cc1ccc(OC)cc1 ZINC000013545655 FE Annotated Anodyne C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](C)N2C[C@@H]1Cc1ccc(OC)cc1 ZINC000013545669 FE Annotated Anodyne COc1ccc(OCc2nc(NC(=O)NN3CCOCC3)cs2)cc1 ZINC000013553613 FE Annotated Anodyne O=c1[nH]n(Cc2ccncc2)c(=O)c2c(O)c3ccc(Cl)cc3nc12 ZINC000013553674 FE Annotated Bother COCCCNC(=S)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013556410 FE Annotated Anodyne CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCc3ccco3)n2)o1 ZINC000013557276 FE Annotated Mild CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCc3ccco3)n2)o1 ZINC000013557277 FE Annotated Mild CC(=O)NCc1cccc(-c2csc(/N=C(\N)NCCC(C)C)n2)n1 ZINC000013558600 FE Annotated Mild CCCC1(CCC)C(=O)OC[C@H]1NS(=O)(=O)c1ccc(OC)cc1 ZINC000013558770 FE Annotated Anodyne CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O ZINC000013558897 FE Annotated Anodyne COCCO[C@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C ZINC000013559513 FE Annotated Anodyne COCCO[C@@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C ZINC000013559514 FE Annotated Anodyne O=C1NCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000013580057 FE Annotated Anodyne O=C1NCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000013580059 FE Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/COC(=O)CC(C)C)CC/C=C(/CO)C(=O)C[C@@H]12 ZINC000013585302 FE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)[C@@H](C)O)=C\C[C@H]12 ZINC000013585337 FE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)[C@H](C)O)=C\C[C@H]12 ZINC000013585339 FE Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)[C@@H](C)O)=C\C[C@H]12 ZINC000013585341 FE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)[C@H](C)O)=C\C[C@H]12 ZINC000013585343 FE Annotated Anodyne CN(C)CCNC(=O)c1cccc2ncc(-c3ccc([N+](=O)[O-])cc3)nc12 ZINC000013586907 FE Annotated Bother CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cc(N(C)C)ccc23)C1=O ZINC000013587566 FE Annotated Anodyne CC(C)c1csc(COc2ccn3c(=O)c(-c4nn[nH]n4)cnc3c2)n1 ZINC000013587632 FE Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(-c4nn[nH]n4)cnc3c2)n1 ZINC000013587633 FE Annotated Anodyne C/N=C(/S)[C@@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@@H](O)CO ZINC000013589996 FE Annotated Mild C/N=C(/S)[C@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@@H](O)CO ZINC000013589997 FE Annotated Mild C/N=C(/S)[C@@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@H](O)CO ZINC000013589998 FE Annotated Mild C/N=C(/S)[C@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@H](O)CO ZINC000013589999 FE Annotated Mild Cc1cc(C)n(C[C@H](C)Nc2nc3nonc3nc2N2CCCCC2)n1 ZINC000013595816 FE Annotated Anodyne Cc1cc(C)n(C[C@@H](C)Nc2nc3nonc3nc2N2CCCCC2)n1 ZINC000013595821 FE Annotated Anodyne COc1ccc(CCN(C)Cc2nc(-c3cnccn3)no2)cc1OC ZINC000013596475 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(/N=C/c2c(C(F)(F)F)n[nH]c2O)cc1 ZINC000013597638 FE Annotated Mild CCCCN1C(=O)NC(=O)[C@@H](C(=O)/C=C/c2c[nH]c3ccccc23)C1=O ZINC000013598623 FE Annotated Mild COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)c(OC)c1 ZINC000013603265 FE Annotated Anodyne COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1OC ZINC000013603268 FE Annotated Anodyne Cc1cnc(NC(=O)C2=C(O)c3sc(C)cc3S(=O)(=O)N2C)s1 ZINC000013605504 FE Annotated Anodyne CN1C(O)=C(C(=O)Nc2ccccn2)c2ccc(Cl)cc2S1(=O)=O ZINC000013605536 FE Annotated Anodyne COC(=O)c1[nH]c2ccc(CC[C@@H]3COC(=O)N3)cc2c1CCN(C)C ZINC000013605903 FE Annotated Anodyne COC(=O)c1[nH]c2ccc(CC[C@H]3COC(=O)N3)cc2c1CCN(C)C ZINC000013605904 FE Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC[C@@H]3COC(=O)N3)cc2c1CCN(C)C ZINC000013605906 FE Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC[C@H]3COC(=O)N3)cc2c1CCN(C)C ZINC000013605908 FE Annotated Anodyne COC(=O)c1[nH]c2ccc(CCN3CCOC3=O)cc2c1CCN(C)C ZINC000013605910 FE Annotated Anodyne CCCOc1ccc2c(c1)C(=O)c1ccc(C(=O)NC)cc1S2(=O)=O ZINC000013606010 FE Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cc(F)cc(F)c1 ZINC000013612291 FE Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc(Cl)c1 ZINC000013612296 FE Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(Cl)cc1 ZINC000013612299 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc(N/C(S)=N\N=C\c2ccco2)c1 ZINC000013638226 FE Annotated Mild Cc1ccc(/C=N/NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000013638229 FE Annotated Mild O=c1[nH]c2ccccc2n2c(=O)c(-c3ccc(Br)cc3)nn12 ZINC000013642881 FE Annotated Anodyne Cc1ccnc(N(Cc2ccccc2)C(P(=O)(O)O)P(=O)(O)O)c1 ZINC000013643266 FE Annotated Anodyne C[C@H]1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@]12C[C@@]1(COC(=O)C1)CO2 ZINC000013643314 FE Annotated Anodyne C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000013646060 FE Annotated Anodyne C[C@H](C(=O)NS(C)(=O)=O)c1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000013646063 FE Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2c(C)c(F)c(N3C[C@H](C)N[C@H](C)C3)cc21 ZINC000013649735 FE Annotated Anodyne C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN4CCC3CC4)cc21 ZINC000013650323 FE Annotated Anodyne CCO[C@@H]1OC(C(N)=O)=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO ZINC000013656427 FE Annotated Anodyne C#CCNC(=O)C1=C[C@@H](c2ccc(C#C)cc2)[C@H](CCCO)[C@@H](OCC)O1 ZINC000013656477 FE Annotated Mild NC(=O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 ZINC000013656489 FE Annotated Anodyne CCO[C@H]1OC(C(N)=O)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO ZINC000013656492 FE Annotated Anodyne O=C(C1=C[C@H](C2CC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656747 FE Annotated Anodyne O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1)N1CCOCC1 ZINC000013656787 FE Annotated Anodyne O=C(C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656811 FE Annotated Anodyne O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1)N1CCOCC1 ZINC000013656833 FE Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](C(C)(C)C)[C@@H]1CCCO ZINC000013656841 FE Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](C(C)(C)C)[C@H]1CCCO ZINC000013656938 FE Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](C)[C@@H]1CCCO ZINC000013656985 FE Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](C)[C@H]1CCCO ZINC000013657026 FE Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)NC3CC3)O[C@H](OCCCCO)C2)cc1 ZINC000013657285 FE Annotated Mild Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000013657471 FE Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000013660061 FE Annotated Anodyne in-vitro biogenic COCCNc1nc(C)cc(-c2cc(C(=O)NCc3ccccc3)on2)n1 ZINC000013660293 FE Annotated Anodyne COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000013660759 FE Annotated Anodyne COCCNC(=O)[C@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000013660762 FE Annotated Anodyne COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000013660765 FE Annotated Anodyne COCCNC(=O)[C@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000013660768 FE Annotated Anodyne C=CCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCC=C ZINC000013660831 FE Annotated Mild C=CCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NCC=C ZINC000013660855 FE Annotated Mild CN1C(=O)[C@@H]2[C@@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O ZINC000013675715 FE Annotated Anodyne CN1C(=O)[C@H]2[C@@H]3O[C@@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O ZINC000013675718 FE Annotated Anodyne CN1C(=O)[C@@H]2[C@H]3O[C@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O ZINC000013675720 FE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCc2ccccc2O1 ZINC000013677695 FE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCc2ccccc2O1 ZINC000013677697 FE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)Nc2ccccc2CO1 ZINC000013677715 FE Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)Nc2ccccc2CO1 ZINC000013677718 FE Annotated Anodyne CCOC(=O)C1=C(NC(=O)CCNC(C)=O)Nc2ccccc2N=C1CC ZINC000013685348 FE Annotated Anodyne O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000013687303 FE Annotated Clean O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000013687307 FE Annotated Clean Cc1ccc(S(=O)(=O)n2[nH]c(=O)cc2NC(=O)c2cccs2)cc1 ZINC000013687407 FE Annotated Anodyne OC(c1ccccc1)(c1ccccc1)c1nnn([C@@H]2CN3CCC2CC3)n1 ZINC000013725080 FE Annotated Anodyne OC(c1ccccc1)(c1ccccc1)c1nnn([C@H]2CN3CCC2CC3)n1 ZINC000013725084 FE Annotated Anodyne CC(C)CNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1 ZINC000013727845 FE Annotated Anodyne CCN(CC)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O ZINC000013727860 FE Annotated Clean CC(C)CNCc1cccc(C(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000013727866 FE Annotated Anodyne CC(C)(C)C12COC(C3=CC(=O)C(Br)=CC3=[N+]=[N-])(OC1)OC2 ZINC000013733485 FE Annotated Mild CC(C)(C)C1CS(=O)(=O)C(C)(c2ccc(C#N)cc2)S(=O)(=O)C1 ZINC000013742129 FE Annotated Mild O=[S@@](Cc1ccccc1N1CCOCC1)c1nccn1-c1ccccn1 ZINC000013746269 FE Annotated Anodyne O=[S@](Cc1ccccc1N1CCOCC1)c1nccn1-c1ccccn1 ZINC000013746271 FE Annotated Anodyne CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/c2cccc(CC)c2)CC1 ZINC000013750429 FE Annotated Anodyne COc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O ZINC000013755830 FE Annotated Anodyne CC(C)c1ccc2c(c1)C(=O)c1ccc(-c3nnn(C)n3)cc1S2(=O)=O ZINC000013755836 FE Annotated Anodyne O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(C2CCCCC2)c1=O ZINC000013759225 FE Annotated Bother CCCCc1nnc2c(O)nc3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12 ZINC000013763204 FE Annotated Bother O=C(O)CN1CCc2cc(OCCCCC3CCNCC3)ccc2C1=O ZINC000013763518 FE Annotated Anodyne C[C@H](C(=O)O)N1CCC(Nc2nc(-c3ccc(C(=N)N)cc3)cs2)CC1 ZINC000013765811 FE Annotated Anodyne C[C@@H](C(=O)O)N1CCC(Nc2nc(-c3ccc(C(=N)N)cc3)cs2)CC1 ZINC000013765813 FE Annotated Anodyne CCOC(=O)c1c(O)[nH]c2cc(I)ccc2c1=O ZINC000013766821 FE Annotated Anodyne Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(Cc3ccccc3)CC1)[C@H]2O ZINC000013779260 FE Annotated Anodyne Oc1ccc2c(c1)O[C@@H]1C[C@]1(N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O ZINC000013779266 FE Annotated Anodyne COC1(C#C[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)CCCCC1 ZINC000013783021 FE Annotated Mild COC1(C#C[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1 ZINC000013783022 FE Annotated Mild CC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O ZINC000013783122 FE Annotated Mild CC(=O)OC[C@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O ZINC000013783123 FE Annotated Mild CCOC(=O)CCCn1cc([N+](=O)[O-])c2cc(OC)c(OC)cc2c1=O ZINC000013800929 FE Annotated Bother CCOC(=O)CCCn1c(Cl)nc2cc(OC)c(OC)cc2c1=O ZINC000013800951 FE Annotated Anodyne CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(Cl)c2c1=O ZINC000013800969 FE Annotated Anodyne C[C@H]1CN(C(=O)C2CCCCC2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F ZINC000013804131 FE Annotated Anodyne COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000013815659 FE Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000013815663 FE Annotated Mild COCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 ZINC000013820217 FE Annotated Anodyne COc1cccc2c1[C@@H]1C[C@H]3[C@H](CCCN3S(C)(=O)=O)CN1CC2 ZINC000013820229 FE Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCC(=O)OC)CC1 ZINC000013822771 FE Annotated Anodyne O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1O ZINC000013823380 FE Annotated Anodyne O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)c(O)c1 ZINC000013823382 FE Annotated Anodyne CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1 ZINC000013824761 FE Annotated Anodyne CCC[C@@H]1CCCO[C@@](C(=O)NCCN2CCOCC2)(C(F)(F)F)C1 ZINC000013829149 FE Annotated Anodyne C=CCn1nc(O[C@@H]2c3cc(C#N)ccc3C(=O)C(C)(C)[C@H]2O)ccc1=O ZINC000013832194 FE Annotated Mild C=CCn1c(=O)c2c(nc(-c3ccc(C(F)(F)F)cc3)n2C)n(C)c1=O ZINC000013832735 FE Annotated Mild CC1(C)C=C2C(=NN(c3ccccc3N3CCOCC3)C(N)=C2C#N)CO1 ZINC000013838731 FE Annotated Reactive CC1=C(CCCC(=O)N2CCN(C)CC2)C(=O)c2c(O)cccc2C1=O ZINC000013861890 FE Annotated Mild CC(=O)Nc1ccc(NC(=O)[C@@H](N)CS)cc1C(=O)c1ccccc1 ZINC000013863769 FE Annotated Mild CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccc4)cc3n2n1 ZINC000013864082 FE Annotated Anodyne CC[C@@H](C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC ZINC000013864509 FE Annotated Anodyne COCCN(CCOC)[C@H](C(=O)Oc1c(OC)cccc1OC)C(C)C ZINC000013864510 FE Annotated Anodyne COCCN(CCOC)[C@@H](C(=O)Oc1c(OC)cccc1OC)C(C)C ZINC000013864511 FE Annotated Anodyne CCC[C@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC ZINC000013864512 FE Annotated Anodyne C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)cc3n21 ZINC000013883922 FE Annotated Anodyne CCNC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000013901552 FE Annotated Anodyne CN1CCc2c(-c3ccc([N+](=O)[O-])cc3)cc3c(c2C1)NC(=O)/C3=N\O ZINC000013906021 FE Annotated Mild OCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000013907298 FE Annotated Anodyne O=[N+]([O-])OC[C@H](CSSc1ccc([N+](=O)[O-])cc1)O[N+](=O)[O-] ZINC000135696489 FE Annotated Reactive O=[N+]([O-])OC[C@@H](CSSc1ccc([N+](=O)[O-])cc1)O[N+](=O)[O-] ZINC000135696514 FE Annotated Reactive N#C[C@@H](c1ccnc(NCCn2cncn2)n1)c1nc2ccccc2s1 ZINC000135738385 FE Annotated Mild N#C[C@H](c1ccnc(NCCn2cncn2)n1)c1nc2ccccc2s1 ZINC000135738420 FE Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000136458003 FE Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C(=O)/C(O)=C(/C)C(=O)[C@H]1O ZINC000136529093 FE Annotated Mild COCCN(CCOC)c1cnc2c3c(nccc13)-c1cccnc1C2=O ZINC000136581910 FE Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@@]45CCC(=O)O[C@@H]4[C@@]2(C[C@@]35CO)C1=O ZINC000136773249 FE Annotated Anodyne CC1=NC=C(CO)/C(=C/NNC(=S)Nc2ccc(C(C)C)cc2)C1=O ZINC000136776647 FE Annotated Mild CCOC(=O)/C(I)=C/I ZINC000136962063 FE Annotated Anodyne CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 ZINC000136985121 FE Annotated Reactive C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)/C=C\C(=O)O1 ZINC000137065015 FE Annotated Anodyne COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@@H]3C[C@H]2[C@H]2C=CC[C@H]32)C1=O ZINC000137364890 FE Annotated Mild COC1=CC=C/C(=C\NNC(=S)N[C@H]2C[C@@H]3C[C@H]2[C@H]2C=CC[C@H]32)C1=O ZINC000137364986 FE Annotated Mild CC(C)/C1=C\[C@@H]2O[C@]2(C)CCC[C@@H](CO)C(=O)CC[C@@H](C)[C@H](O)C1=O ZINC000137465528 FE Annotated Mild C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(C=O)C(=O)OC ZINC000137551271 FE Annotated Mild O=C1C=C([C@@H]2CC(=O)[C@H](O)c3cccc(O)c32)C(=O)c2c(O)cccc21 ZINC000137594183 FE Annotated Mild CSC1=N[C@H](c2cccc([N+](=O)[O-])c2SC)C2=C(COC2=O)N1 ZINC000137606969 FE Annotated Bother CSC1=N[C@@H](c2cccc([N+](=O)[O-])c2SC)C2=C(COC2=O)N1 ZINC000137607058 FE Annotated Bother COC[C@@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)C(=O)[C@]1(C)O)C[C@H](O)[C@@H]2C ZINC000137627396 FE Annotated Mild O=C(OC[C@]12O[C@H]1C=C[C@H](OC(=O)c1ccccc1)[C@H]2O)c1ccccc1 ZINC000137642276 FE Annotated Anodyne CN1C(=O)[C@@H]2[C@@H]3O[C@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O ZINC000137857613 FE Annotated Anodyne CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O ZINC000137863939 FE Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000138003936 FE Annotated Mild CO[C@@]12CC[C@]3(C)[C@H](CC[C@@]45C[C@@H](CC[C@H]43)[C@@](O)(CO)C5)C1=CC(=O)N2 ZINC000138041558 FE Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\COC(=O)CC(C)C)CC/C=C(/CO)C(=O)C[C@@H]12 ZINC000138081918 FE Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/COC(=O)CC(C)C)CC/C=C(\CO)C(=O)C[C@@H]12 ZINC000138082037 FE Annotated Mild COC1=CC=C/C(=C\NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O ZINC000138259015 FE Annotated Mild COC1=Cc2c(nc3n(c2=O)-c2ccccc2C(=O)N2CCC[C@@H]32)OC=C1 ZINC000138368960 FE Annotated Anodyne C[C@@]1([C@H](O)CO)C=C2CC[C@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)C(=O)O)[C@@H]2CC1 ZINC000138437790 FE Annotated Anodyne C[C@@]12C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1CCC1=C[C@@](C)([C@@H](O)CO)CC[C@H]12 ZINC000138437869 FE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(CC[C@H]1O)[C@@H]24 ZINC000138487833 FE Annotated Anodyne C=C(CCO)C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000138510946 FE Annotated Mild COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138544409 FE Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1C(=O)C[C@@H]1[C@]2(O)[C@@H](O)C[C@@H]2C(C)(C)CCC[C@@]12C ZINC000138545595 FE Annotated Anodyne C=C1[C@H]2CC[C@]3([C@@H](C2)[C@@]24CCC[C@@](C)(CN(CC=O)C2)[C@H]4C[C@H]3O)[C@@H]1O ZINC000138592072 FE Annotated Mild CC[C@@H](C)OC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@@]12C(=O)c1ccccc13 ZINC000139170281 FE Annotated Reactive CSC1=N[C@H](c2cc([N+](=O)[O-])ccc2SC)C2=C(COC2=O)N1 ZINC000139186380 FE Annotated Bother CSC1=N[C@@H](c2cc([N+](=O)[O-])ccc2SC)C2=C(COC2=O)N1 ZINC000139186504 FE Annotated Bother COCCOc1cc2ncnc(NC3=CC(=O)C(C)=CC3=O)c2cc1OC ZINC000139247850 FE Annotated Mild CC(C)(O)/C=C/C=C1/COC(=O)[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O ZINC000139311507 FE Annotated Anodyne COC(=O)c1ccc(-c2c(C#N)n(O)c3cc(OC)ccc3[n+]2=O)cc1 ZINC000139349259 FE Annotated Mild C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC(=O)[C@]1(C=COC1)O2 ZINC000139393281 FE Annotated Anodyne CC(C)(O)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000139411859 FE Annotated Anodyne COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)ncnc3n2)cc1CO ZINC000139634282 FE Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)[C@@H](C)O)=C/C[C@H]12 ZINC000139653642 FE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)[C@@H](C)O)=C/C[C@H]12 ZINC000139653783 FE Annotated Mild O=C1OCC(CO)=C1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000139684053 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](O)[C@H]21 ZINC000139757154 FE Annotated Mild CN1CCCC[C@@H]1c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 ZINC000014210468 FE Annotated Anodyne COc1cc2c(cc1O)[C@]13C(=O)c4c(ccc5c4OCO5)[C@H]1O[C@H](C2)N3C ZINC000014415206 FE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(O)C(=Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000014415634 FE Annotated Anodyne C/C=C1\CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000014415850 FE Annotated Anodyne in-vitro biogenic COC1=C[C@H]2C3=C([C@H]2C1=O)[C@@H](N(C)C)CCc1cc2c(c(OC)c13)OCO2 ZINC000014416406 FE Annotated Mild COc1cc2c(cc1O)[C@](O)(c1ccc3c(c1)OCO3)[C@@](C)(O)[C@@H](C)C2 ZINC000014435139 FE Annotated Anodyne COc1cc([C@H]2c3cc(O)c(OC)cc3C=C(CO)[C@@H]2CO)ccc1O ZINC000014435380 FE Annotated Anodyne in-vitro biogenic COc1cc(C(=O)[C@@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O ZINC000014435790 FE Annotated Anodyne COc1cc(C(=O)[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O ZINC000014435794 FE Annotated Anodyne in-vitro O=C(c1ccc2c(c1)OCO2)[C@H]1CO[C@H](c2ccc3c(c2)OCO3)[C@@H]1CO ZINC000014435828 FE Annotated Anodyne in-man endogenous O=C(c1ccc2c(c1)OCO2)[C@H]1CO[C@H](c2ccc3c(c2)OCO3)[C@H]1CO ZINC000014435830 FE Annotated Anodyne in-man endogenous O=C(c1ccc2c(c1)OCO2)[C@@H]1CO[C@H](c2ccc3c(c2)OCO3)[C@@H]1CO ZINC000014435832 FE Annotated Anodyne in-man endogenous COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@@H]2O)cc1OC ZINC000014436096 FE Annotated Anodyne O=C(O)CC(=O)OCCCC/C=C/C1=C(O)C(=O)c2cccc(O)c2C1=O ZINC000014440943 FE Annotated Mild CCC1=C(C)C(=O)c2cc3c(c(O)c2C1=O)C(=O)[C@@](C)(O)C(=O)C3(C)C ZINC000014453166 FE Annotated Mild in-vivo CCC1=C(C)C(=O)c2cc3c(c(O)c2C1=O)C(=O)[C@](C)(O)C(=O)C3(C)C ZINC000014453167 FE Annotated Mild in-vivo O=C(O)/C(Br)=C(/Br)I ZINC000140064677 FE Annotated Anodyne OCc1cn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1 ZINC000140127773 FE Annotated Anodyne OCc1cnn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140158716 FE Annotated Anodyne COc1cccc2c1[C@H](c1ccccc1)N(C(=O)CNC[C@@H](C)O)CC2 ZINC000140247680 FE Annotated Anodyne C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C/C(C)=C/C(=O)[C@H](OC)CC(=O)C1)[C@H]2O ZINC000140283970 FE Annotated Mild C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@]2(C)CC(=O)[C@@H](CC(=O)C1)O2 ZINC000140425257 FE Annotated Mild CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000140511342 FE Annotated Anodyne CC[C@@]1(O)C[C@@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@]45CCN([C@H]25)[C@H]31 ZINC000140527158 FE Annotated Anodyne CC(C)=C[C@H]1O[C@@]23C(=O)C=CC(=O)C2=C[C@@H]2[C@H](CC[C@]2(C)O)[C@@]3(C)C1=O ZINC000140592349 FE Annotated Mild C[S@@](=O)(=NC(N)=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000141015450 FE Annotated Bother C/C=C/c1cc(=O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c[nH]1 ZINC000141161786 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(O)[C@H]12 ZINC000141215512 FE Annotated Mild Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCCO)cn1 ZINC000141433906 FE Annotated Anodyne O[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H]1CO[C@H]2c1ccc2c(c1)OCO2 ZINC000141442524 FE Annotated Anodyne CCCN1C(=O)[C@]2(N=C1N)c1cc(C#N)ccc1CC21CCC(OC)CC1 ZINC000141650976 FE Annotated Mild CCCN1C(=O)[C@@]2(N=C1N)c1cc(C#N)ccc1CC21CCC(OC)CC1 ZINC000141651175 FE Annotated Mild O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CSC[C@@H]1c1cn[nH]c1C2 ZINC000141727281 FE Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CSC[C@H]1Cc1[nH]ncc12 ZINC000141727493 FE Annotated Anodyne COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)nc1 ZINC000141771053 FE Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@]2(O)CCCN2C1=O ZINC000141793554 FE Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCN(C)C)C2 ZINC000141834634 FE Annotated Anodyne O=C(NO)c1ccc(CNCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000141914277 FE Annotated Anodyne CCC(=O)Nc1cccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000141940205 FE Annotated Reactive O=C1C[C@@H](COc2nc(-c3ccc4c(c3)CCNC4)cc3ncccc23)CN1 ZINC000141965545 FE Annotated Anodyne CC1(C)Oc2ccc([C@@H]3COc4cc(O)ccc4[C@H]3O)c(O)c2C[C@H]1O ZINC000142036608 FE Annotated Anodyne CC#CC#C/C=C1/O[C@]2(CC[C@H](OC(=O)CC(C)C)CO2)[C@H](O)[C@H]1Cl ZINC000142085025 FE Annotated Reactive CS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000142254142 FE Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@H](C#N)C3)n2)cc1 ZINC000142352340 FE Annotated Anodyne CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@H](C#N)C3)n2)cc1 ZINC000142352548 FE Annotated Anodyne COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3CCC3)nc2)cc1 ZINC000142362227 FE Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3CCC3)nc2)cc1 ZINC000142362426 FE Annotated Mild CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NC(=O)C(C)C)c2)C(=O)OC1=O ZINC000142660626 FE Annotated Reactive COc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1 ZINC000142885905 FE Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(CC(F)(F)F)c1 ZINC000142941186 FE Annotated Anodyne CCn1nccc1-c1cnn2c(=O)cc(-c3ccc4c(cnn4C)c3)[nH]c12 ZINC000142979456 FE Annotated Anodyne C[C@H]1CN(c2ccc(-c3cccc(CN(C)C(=O)CN)c3)cn2)C[C@@H](C)O1 ZINC000142992459 FE Annotated Anodyne CCO[C@@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O ZINC000143048927 FE Annotated Anodyne CCO[C@H]1C([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)[C@@]1(C)O ZINC000143049159 FE Annotated Anodyne CCNC(=O)Cc1cnn2c(=O)cc(-c3ccc(Cl)c(OC)c3)[nH]c12 ZINC000143106030 FE Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CC(O)C2)cn1 ZINC000143107287 FE Annotated Anodyne O=C1C[C@@H](O)[C@]23Oc4ccc(O)c5c4[C@](CCC5=O)(Oc4cccc1c42)O3 ZINC000143143028 FE Annotated Anodyne CCn1ncc2cc(-c3cc(=O)n4ncc(-c5ccnn5C)c4[nH]3)ccc21 ZINC000143149079 FE Annotated Anodyne CC(C)C(=O)c1c(O)c2c(c3c1OC(C)(C)[C@@H](O)C3)O[C@H](C(C)(C)O)C2 ZINC000143185743 FE Annotated Anodyne CC(C)C(=O)c1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)O[C@@H](C(C)(C)O)C2 ZINC000143186662 FE Annotated Anodyne CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1)S(C)(=O)=O ZINC000143242130 FE Annotated Anodyne CCn1ncc2ccc(-c3cc(=O)n4ncc(-c5nc(C)no5)c4[nH]3)cc21 ZINC000143271680 FE Annotated Anodyne CCn1ncc2cc(-c3cc(=O)n4ncc(-c5nnc(C)o5)c4[nH]3)ccc21 ZINC000143303344 FE Annotated Anodyne CNC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000143419717 FE Annotated Anodyne C[C@@H](N)c1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 ZINC000143446989 FE Annotated Anodyne C[C@H](N)c1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)cc1 ZINC000143475723 FE Annotated Anodyne C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C ZINC000143539464 FE Annotated Anodyne C[C@H](/C=C/[C@@](C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C ZINC000143539704 FE Annotated Anodyne CCn1ncc2cc(-c3cc(=O)n4ncc(-c5nc(C)no5)c4[nH]3)ccc21 ZINC000143546664 FE Annotated Anodyne CCn1ncc2cc(-c3cc(=O)n4ncc(-c5ccn(C)n5)c4[nH]3)ccc21 ZINC000143605639 FE Annotated Anodyne O=S(=O)(c1ccccc1)c1cc(CCO)c2oc3c(c2c1)CNCC3 ZINC000143620011 FE Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccs3)CC1)C2 ZINC000143751553 FE Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccsc3)CC1)C2 ZINC000143773716 FE Annotated Anodyne C#CCn1c(-c2ccco2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000144151425 FE Annotated Mild N#Cc1n[nH]c2c1CN([C@H]1CCO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000144195060 FE Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccnc2[nH]c(Cc3cccs3)nc12 ZINC000144296454 FE Annotated Anodyne O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(Cc3cccs3)nc12 ZINC000144296892 FE Annotated Anodyne C=C[C@@H]1C(=C)CC[C@H]2[C@@]1(O)CC[C@]1(O)[C@]2(C)CC[C@@H](O)[C@@]1(C)C(=O)O ZINC000144458457 FE Annotated Mild CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnccc21 ZINC000144551143 FE Annotated Anodyne CN1C(=N)N[C@](C)(c2cc(-c3cccc(C#N)c3)cs2)CS1(=O)=O ZINC000144605818 FE Annotated Anodyne Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C ZINC000144752123 FE Annotated Anodyne Nc1ncc(C(=O)N[C@H]2C[C@H](O)C2)c2ccc(-c3cccc(F)c3)nc12 ZINC000144773173 FE Annotated Anodyne OCC1CCN(c2nccnc2C2CN(c3ccc(Cl)cn3)C2)CC1 ZINC000144776427 FE Annotated Anodyne CC(C)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cc2ncn(C)c(=O)c12 ZINC000144801950 FE Annotated Anodyne COc1cc([C@@H]2OC[C@]3(O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000014505994 FE Annotated Anodyne in-man biogenic COc1cc([C@@H]2OC[C@@]3(O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000014506000 FE Annotated Anodyne in-man COc1cc([C@H]2OC[C@@]3(O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000014506003 FE Annotated Anodyne in-man C[N+](C)(C)[C@@H](Cc1c[nH]c2c(I)cccc12)C(=O)O ZINC000014513914 FE Annotated Mild CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1C(=O)O2)OCO4)OCO3 ZINC000014513945 FE Annotated Anodyne in-vitro biogenic Cc1cc(O)c(C)c(O)c1C(=O)OCc1cc(O)c(C)c(O)c1C(=O)O ZINC000014514368 FE Annotated Anodyne C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000014584805 FE Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000014584807 FE Annotated Mild in-man endogenous C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000014584809 FE Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000014584811 FE Annotated Mild in-man endogenous COc1cc(OC)c2c(c1OC)C(=O)C(C[C@H](C)OC(C)=O)=C(O)C2=O ZINC000014585046 FE Annotated Mild COc1cc(C)c2c(c1O)Oc1c(c(C)c(O)c3c1[C@H](O)OC3=O)OC2=O ZINC000014588324 FE Annotated Anodyne CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@@H]2C=C(CO)CC[C@H]21 ZINC000014612339 FE Annotated Mild in-vitro CCC(=O)C1=CN(CCCC(N)=O)[C@H](/C(C)=C/[C@@H](C)CC)[C@](C)(O)C1=O ZINC000014613313 FE Annotated Mild CC(=O)OC/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14 ZINC000014614985 FE Annotated Reactive CC1=CC(=O)c2c(O)c(O)c(O)c3c2C1=C1O[C@@H](C)C(C)(C)[C@@]1(O)C3=O ZINC000014615020 FE Annotated Mild COc1c(O)c2c3c(c1O)C(=O)[C@@]1(O)C(=C3C(C)=CC2=O)O[C@@H](C)C1(C)C ZINC000014615021 FE Annotated Mild COc1c(O)c2c3c(c1O)C(=O)[C@]1(O)C(=C3C(C)=CC2=O)O[C@H](C)C1(C)C ZINC000014615023 FE Annotated Mild COc1cc2c(cc1O)C(=O)C(=O)c1cc3c(cc1N(C)CC2)OCO3 ZINC000014618747 FE Annotated Clean O=C1OC[C@@H]([C@H](O)c2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000014637213 FE Annotated Anodyne O=C1OC[C@@H]([C@@H](O)c2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000014637215 FE Annotated Anodyne O=C1OC[C@H]([C@H](O)c2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000014637217 FE Annotated Anodyne in-vitro O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccc2c(c1)OCO2 ZINC000014646880 FE Annotated Anodyne in-vitro biogenic O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccc2c(c1)OCO2 ZINC000014646882 FE Annotated Anodyne C/C=C1/CN(C=O)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC ZINC000014649866 FE Annotated Anodyne O=C1C(=O)C(c2ccc(O)c(O)c2)=C2OCOC2=C1c1ccc(O)cc1 ZINC000014652662 FE Annotated Mild CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]23CO3)C1(C)C ZINC000014658940 FE Annotated Anodyne CC1=C(C)C2=CC(=O)c3c(O)c(C[C@@H](C)O)c(O)c(O)c3[C@@]2(C)CC1=O ZINC000014659967 FE Annotated Mild CC1=C(C)C2=CC(=O)c3c(O)c(C[C@H](C)O)c(O)c(O)c3[C@@]2(C)CC1=O ZINC000014659970 FE Annotated Mild C/C=C1/CN2CCc3c4n(c5ccccc35)[C@@](CO)(C(=O)OC)[C@H]1C[C@@H]42 ZINC000014660017 FE Annotated Anodyne C/C=C1/CN2CCc3c4n(c5ccccc35)[C@](CO)(C(=O)OC)[C@H]1C[C@@H]42 ZINC000014660020 FE Annotated Anodyne O=C1CC[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1C5=O ZINC000014679390 FE Annotated Anodyne CN1CCc2cc3c(cc2C(=O)C(=O)c2ccc4c(c2C1)OCO4)OCO3 ZINC000014681301 FE Annotated Clean O=C1CC=C2[C@H]3C[C@H]4[C@@]5(CC[N+]4([O-])C/C3=C/CO)c3ccccc3N1[C@@H]25 ZINC000014681392 FE Annotated Bother COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@@H]([C@@](C)(O)CO)O4 ZINC000014682388 FE Annotated Bother COC[C@](C)(O)[C@H]1Cc2c(cc(OC)c3c(=O)c4cccc(O)c4oc23)O1 ZINC000014682396 FE Annotated Bother C/C=C1/CN2CC[C@]34c5cccc(O)c5N(C(C)=O)[C@H]3[C@H](C=O)[C@H]1C[C@H]24 ZINC000014685670 FE Annotated Mild CCCC(=O)c1c(O)cc(O)c2c1C(=O)c1c(O)c(OC)cc(O)c1C2=O ZINC000014686490 FE Annotated Clean CC[C@]1(O)CCc2c(O)c3c(c(O)c2C1)C(=O)c1cccc(O)c1C3=O ZINC000014686576 FE Annotated Clean CN1CCc2cc3c(cc2[C@H]2O[C@@H](O)c4c(ccc5c4OCO5)[C@@H]21)OCO3 ZINC000014686698 FE Annotated Anodyne in-man C[C@H](CO)c1cc(C=O)c2c(c1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O ZINC000014688342 FE Annotated Mild COC1=C(OC)[C@]23CCc4cc(OC)c(OC)cc4[C@]2(CCN3C)CC1=O ZINC000014688927 FE Annotated Mild COC1=C(OC)[C@]23CCc4cc(OC)c(OC)cc4[C@]2(CCN3)CC1=O ZINC000014688931 FE Annotated Mild COC1=C(OC)[C@]23CCc4cc(O)c(OC)cc4[C@]2(CCN3C)CC1=O ZINC000014688935 FE Annotated Mild COC[C@@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689080 FE Annotated Bother in-man endogenous COC[C@](C)(O)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689082 FE Annotated Bother in-man endogenous COC[C@@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689084 FE Annotated Bother in-man endogenous COC[C@](C)(O)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 ZINC000014689086 FE Annotated Bother in-man endogenous CC1=C([C@@H](O)C[C@@]23COC(=O)[C@@H]2CC=CC3=O)C(=O)O[C@@H](c2ccoc2)C1 ZINC000014689985 FE Annotated Mild CC1=C([C@H](O)C[C@@]23COC(=O)[C@@H]2CC=CC3=O)C(=O)O[C@@H](c2ccoc2)C1 ZINC000014689987 FE Annotated Mild CC(=O)OC[C@@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 ZINC000014692719 FE Annotated Anodyne in-man CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 ZINC000014692721 FE Annotated Anodyne in-man CC(=O)OC[C@@]12CCC(C)=C[C@H]1O[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 ZINC000014692723 FE Annotated Anodyne in-man CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2 ZINC000014692725 FE Annotated Anodyne in-man COc1c(-c2ccc3c(c2OC)O[C@H](CO)[C@H]3CO)ccc2c1OCC2 ZINC000014695341 FE Annotated Anodyne C=C[C@H]1C[n+]2ccc3c([nH]c4ccccc43)c2C[C@@H]1[C@H](CO)C(=O)OC ZINC000014710260 FE Annotated Mild CO/C(=C\C(=O)O)[C@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@]1(C)O ZINC000014712663 FE Annotated Anodyne COc1cc(O)c2c(c1)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] ZINC000014714117 FE Annotated Bother C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@@H]1CC2 ZINC000014715171 FE Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@](CO)(C(=O)OC)[C@H]1CC2 ZINC000014715176 FE Annotated Anodyne Cc1cc(O)c(C(=O)O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)COC3=O ZINC000014715904 FE Annotated Anodyne COC(=O)[C@@]1(OC)C(OC)=C(OC)C(=O)/C1=C(O)/C=C/c1ccccc1 ZINC000014715913 FE Annotated Mild CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@H](C)OC[C@@H]([C@@H]4CC2=O)[C@@H]13 ZINC000014717945 FE Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@@H]4[C@@H](CC2=O)[C@H](CO[C@@H]4C)[C@@H]13 ZINC000014717946 FE Annotated Anodyne COC(=O)[C@@]12C[C@]3(C=CCN(CCc4c1[nH]c1ccccc41)C3=O)[C@@H](C)O2 ZINC000014718215 FE Annotated Anodyne COc1cc(C)c2c(c1C=O)Oc1c(cc(O)c3c1[C@@H](O)OC3=O)OC2=O ZINC000014718412 FE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 ZINC000014719363 FE Annotated Anodyne in-vitro biogenic CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42 ZINC000014719367 FE Annotated Anodyne in-vitro biogenic C/C=C1/CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1C[C@@H]1NCCc3c1n2c1ccccc31 ZINC000014719731 FE Annotated Anodyne C/C=C1/CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1CC1=NCCc3c1n2c1ccccc31 ZINC000014719739 FE Annotated Anodyne COC1=C(OC)[C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4[C@]2(CCN3C)CC1=O ZINC000014719950 FE Annotated Mild CC(=O)OCC[C@@H](/C=C/C=C/C#CC#C/C=C/CO)OC(=O)C=C(C)C ZINC000014722398 FE Annotated Mild COC(=O)[C@H]1[C@@H](O)CC[C@@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@@H]21 ZINC000014722681 FE Annotated Anodyne COc1cc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O ZINC000014760270 FE Annotated Anodyne C[C@@H](CO)CCc1c(O)cc(O)c2c1OC[C@H](c1ccc(O)cc1O)C2=O ZINC000014762886 FE Annotated Anodyne in-man C[C@H](CO)CCc1c(O)cc(O)c2c1OC[C@H](c1ccc(O)cc1O)C2=O ZINC000014762888 FE Annotated Anodyne in-man C[C@@H](CO)CCc1c(O)cc(O)c2c1OC[C@@H](c1ccc(O)cc1O)C2=O ZINC000014762890 FE Annotated Anodyne in-man C[C@H](CO)CCc1c(O)cc(O)c2c1OC[C@@H](c1ccc(O)cc1O)C2=O ZINC000014762891 FE Annotated Anodyne in-man C[C@@H]1C[C@@H](O)[C@@]23CO[C@@]2(CO)CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000014765357 FE Annotated Anodyne C[C@@H]1C[C@@]2(O)OC[C@@]3(O)CCC[C@H]4[C@]32CO[C@H]2O[C@H](c3ccoc3)C[C@@]214 ZINC000014765443 FE Annotated Anodyne C=C[C@]1(C)CC[C@@H]2[C@]34O[C@H]5OC(=O)[C@@H](C=C3C=C(OC)OC(=O)[C@@H]14)[C@]52C ZINC000014768970 FE 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@@]12O ZINC000014782019 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000014782077 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000014782079 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000014782081 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000014782083 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000014782142 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000014782144 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000014782146 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000014782148 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000014782182 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000014782184 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000014782186 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000014782188 FE Annotated Anodyne in-man C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@@H](C)CC)CC/C=C(\CO)C(=O)C[C@@H]12 ZINC000014809527 FE Annotated Anodyne biogenic C=C1C(=O)O[C@@H]2/C=C(\COC(=O)CC(C)C)CC/C=C(\CO)C(=O)C[C@@H]12 ZINC000014809529 FE Annotated Mild biogenic COc1cc(O)c2c(c1OC(C)=O)OC[C@H](Cc1ccc(O)cc1)C2=O ZINC000014811060 FE Annotated Anodyne in-man COc1cc(O)c2c(c1OC(C)=O)OC[C@@H](Cc1ccc(O)cc1)C2=O ZINC000014811061 FE Annotated Anodyne in-man C/C(=C\COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O)CO ZINC000014814365 FE Annotated Clean C=C(C)[C@H](O)COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC000014814371 FE Annotated Mild COC(=O)c1c(C)c2c(c(OC)c1OC)C(=O)c1cccc(O)c1C2=O ZINC000014814433 FE Annotated Clean COC(=O)c1c(OC)cc2c(c1C)C(=O)c1c(ccc(O)c1OC)C2=O ZINC000014814469 FE Annotated Clean COc1cc2c(c(O)c1Cl)C(=O)c1c(O)cc(C[C@H](C)O)cc1C2=O ZINC000014819816 FE Annotated Clean COC(=O)[C@H]1C[C@@]23C=CC(=O)N4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000014827778 FE Annotated Anodyne COC(=O)[C@@]1(O)C[C@]2(C(C)=O)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 ZINC000014829323 FE Annotated Anodyne C/C=C1\CN2CC[C@]34c5ccccc5N(C)[C@]23C(=O)C[C@H]1[C@H]4C(=O)OC ZINC000014829401 FE Annotated Anodyne O=C1NC(c2c[nH]c3ccc(O)cc23)=C/C1=C1\C(=O)Nc2ccc(O)cc21 ZINC000014829620 FE Annotated Clean CC[C@@]12CC[C@@H]3N(C(C)=O)c4c(O)cccc4[C@@]34CCN(CC[C@@H]1O)[C@@H]24 ZINC000014850363 FE Annotated Anodyne CO[C@@]1(Cc2c[nH]c3cc(Br)ccc23)C(=O)N(C)C(=N)N1C ZINC000014854584 FE Annotated Anodyne C=C1[C@H]2CC[C@@]3([C@H]1O)[C@@H](C2)[C@@]12CCC[C@@](C)(CN(CC=O)C1)[C@H]2C[C@H]3O ZINC000014857652 FE Annotated Mild in-vitro biogenic C=C1C[C@@]23C(=O)C[C@@H]1C[C@H]2[C@]12CCC[C@](C)(CN(CCO)C1)[C@H]2C[C@H]3O ZINC000014857668 FE Annotated Mild C=C(C)[C@@H]1C[C@@H]2O[C@@]1(O)C(=O)[C@@H](C)CC(=O)/C=C(/C)C[C@H]1C=C2C(=O)O1 ZINC000014859795 FE Annotated Mild CC(=O)OCC1=CC[C@H]([C@@](C)(O)C/C=C/[C@@](C)(O)COC(C)=O)CC1 ZINC000014859854 FE Annotated Anodyne COc1ccc(N2C(=O)CN(C(=O)CCn3ccc(C)n3)CC2(C)C)cc1 ZINC000014880530 FE Annotated Anodyne COc1cc([C@H]2c3c(ccc(O)c3OC)C=C(C=O)[C@@H]2CO)ccc1O ZINC000014883365 FE Annotated Reactive COc1cc([C@@H]2c3c(ccc(O)c3OC)C=C(C=O)[C@@H]2CO)ccc1O ZINC000014883367 FE Annotated Reactive in-vitro biogenic COC(=O)[C@H]1[C@@H]2CC(=O)c3[nH]c4ccccc4c3C[C@@H]1N(C)C=C2C=O ZINC000014883677 FE Annotated Reactive COC(=O)[C@@H]1[C@@H]2CC(=O)c3[nH]c4ccccc4c3C[C@@H]1N(C)C=C2C=O ZINC000014883679 FE Annotated Reactive O=C1O/C(=C(/C(=O)O)c2ccc(O)cc2)C(O)=C1c1ccc(O)c(O)c1 ZINC000014885485 FE Annotated Clean in-man endogenous CN(C=O)CCc1c[nH]c2c1C(=O)c1c(-c3ccc(O)cc3)c[nH]c1C2=O ZINC000014888134 FE Annotated Clean CN1Cc2c3c(cc(O)c2[C@@H]2[C@@H](O)Cc4cc5c(cc4[C@@H]21)OCO5)OCO3 ZINC000014922999 FE Annotated Anodyne in-vitro biogenic O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@@H]2O[C@@H]2C3=O)c2cccc(O)c21 ZINC000014927404 FE Annotated Clean C[C@@H]1C[C@@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000014927540 FE Annotated Anodyne CN1CCc2cc3c(cc2[C@H]1Cc1ccc2c(c1CO)OCO2)OCO3 ZINC000014930663 FE Annotated Anodyne CN1CCc2cc3c(cc2[C@@H]1[C@@H]1O[C@@H](O)c2cc4c(cc21)OCO4)OCO3 ZINC000014930673 FE Annotated Anodyne COc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)=CN2)c1C#N ZINC000014943530 FE Annotated Mild CC(C)c1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C#N ZINC000014944869 FE Annotated Mild COC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O ZINC000014947200 FE Annotated Anodyne O=C1C=CC[C@H](/C=C/C[C@H](O)C[C@@H](O)C[C@@H](O)/C=C/c2ccccc2)O1 ZINC000014947607 FE Annotated Anodyne in-vitro biogenic C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CCSC1 ZINC000014947730 FE Annotated Anodyne C[C@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(N2CC[C@@H](O)C2=O)cc1 ZINC000014949212 FE Annotated Anodyne CCOC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O ZINC000014959925 FE Annotated Anodyne COC1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000014961816 FE Annotated Anodyne COC1CCN(C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000014961817 FE Annotated Anodyne C/C(=C1/SC(=N)NC1=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 ZINC000014963253 FE Annotated Anodyne in-vivo COc1cccc(N2CCN(c3nncc(-c4ccccc4)n3)CC2=O)c1 ZINC000014968248 FE Annotated Anodyne COc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1OC ZINC000014975934 FE Annotated Anodyne C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 ZINC000145122799 FE Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@]34O[C@H]5OC(=O)[C@@H](C=C3C=C(OC)OC(=O)[C@@H]14)[C@]52C ZINC000145180291 FE Annotated Mild CN(C)c1ccnc(C(=O)N/N=C2\N=C(N)c3c2ccc2ccccc32)c1 ZINC000145243715 FE Annotated Reactive CC(=O)Nc1cn2cc(-c3cnc(N)c(OCC(F)(F)F)n3)ccc2n1 ZINC000145311749 FE Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C(=O)O[C@H]5O[C@@H](O)[C@]3([C@H](O)C[C@H]12)[C@H]54 ZINC000145316078 FE Annotated Anodyne C[C@@H]1N=CC([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)=N1 ZINC000146159624 FE Annotated Anodyne C[C@H]1N=CC([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)=N1 ZINC000146159817 FE Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@H]2CS1 ZINC000146167252 FE Annotated Anodyne C[C@@H]1C[C@]23C[C@](C)(CCC[C@@H]2[C@@]1(CO)CC/C(=C/CO)CO)OC3=O ZINC000146259609 FE Annotated Anodyne CCCC[P@@]1(=O)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O ZINC000146453297 FE Annotated Anodyne CCN(CCOc1nc(-c2ccncn2)cc(=O)n1C)c1cccc(C)c1 ZINC000146540046 FE Annotated Anodyne N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000146679122 FE Annotated Anodyne in-vitro NC(=O)c1cccc2[nH]n(C3CCN(C[C@H]4CC=CCC4)CC3)c(=O)c12 ZINC000146724480 FE Annotated Anodyne NC(=O)c1cccc2[nH]n(C3CCN(C[C@@H]4CC=CCC4)CC3)c(=O)c12 ZINC000146724688 FE Annotated Anodyne Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C[C@H]2CC=CCC2)CC1 ZINC000146753996 FE Annotated Anodyne Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000146754129 FE Annotated Anodyne NC(=O)c1cccc2[nH]n(C3CCN(Cc4cccs4)CC3)c(=O)c12 ZINC000146754977 FE Annotated Anodyne NS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000146796565 FE Annotated Anodyne CCOC(=O)[C@@H]1CN[C@H](c2cc(Br)cc(OC)c2O)S1 ZINC000146850599 FE Annotated Clean CCOC(=O)[C@H]1CN[C@H](c2cc(Br)cc(OC)c2O)S1 ZINC000146850791 FE Annotated Clean CCOC(=O)[C@@H]1CN[C@@H](c2cc(Br)cc(OC)c2O)S1 ZINC000146850990 FE Annotated Clean CCOC(=O)[C@H]1CN[C@@H](c2cc(Br)cc(OC)c2O)S1 ZINC000146851173 FE Annotated Clean Cc1cnc(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)c(C)c1 ZINC000146948722 FE Annotated Anodyne N#Cc1c([C@H]2C[C@@H]2C(=O)O)[nH]c(SCc2cccc(F)c2F)nc1=O ZINC000147423157 FE Annotated Anodyne CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C#N)cn2)on1 ZINC000147479585 FE Annotated Anodyne C=C(CCO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000147524483 FE Annotated Mild NC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000147570682 FE Annotated Anodyne CCN(CC)CCNC(=O)Cc1csc(-c2ncc(C#N)c(C)c2O)n1 ZINC000147575831 FE Annotated Anodyne COc1cc(S(=O)(=O)c2ccccc2CO)cc2c3c(oc12)CCNC3 ZINC000147593125 FE Annotated Anodyne O=S(=O)(c1ccccc1)c1cc(OCCO)c2oc3c(c2c1)CNCC3 ZINC000147601311 FE Annotated Anodyne COC[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2cc(C#N)c(F)cc2F)CO1 ZINC000147751063 FE Annotated Anodyne CCN(CCCN1C=CN(C)/C1=C/N=O)S(=O)(=O)c1ccccc1 ZINC000148120172 FE Annotated Anodyne CCCN(CCN1C=CN(C)/C1=C/N=O)S(=O)(=O)c1ccccc1 ZINC000148124296 FE Annotated Anodyne O=C(NCCO)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148129342 FE Annotated Anodyne N#Cc1cnc(-c2nc(CC(=O)NCCc3ccccn3)cs2)c(O)c1 ZINC000148188802 FE Annotated Anodyne Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3cc(C#N)ccc3F)CO2)cn1 ZINC000148302282 FE Annotated Anodyne CNC(=O)c1cc(-c2ncnc(C)c2C#Cc2ccc(N)nc2)ccc1F ZINC000148575320 FE Annotated Mild COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@H]43 ZINC000148633270 FE Annotated Anodyne in-vitro COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@H]43 ZINC000148633485 FE Annotated Anodyne in-vitro COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@H]43 ZINC000148633679 FE Annotated Anodyne in-vitro COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@H]43 ZINC000148633863 FE Annotated Anodyne in-vitro COc1ccc2c(c1)-c1c(ccc3nc(C(=O)O)cc(O)c13)S2(=O)=O ZINC000148666867 FE Annotated Anodyne CCCC[P@]1(=O)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O ZINC000148799956 FE Annotated Anodyne CCOC1CCN(c2ncnc(CC)c2C#Cc2ccc(N)nc2)CC1 ZINC000148836709 FE Annotated Mild Cc1ncnc(N2CCC(O)(C(C)C)CC2)c1C#Cc1ccc(N)nc1 ZINC000148896797 FE Annotated Mild CCc1ncnc(-c2cccc(C(=O)NC)c2)c1C#Cc1ccc(N)nc1 ZINC000148951487 FE Annotated Mild COc1cc2c(c3c(=O)cc(C(=O)O)[nH]c13)-c1ccccc1S2(=O)=O ZINC000149033637 FE Annotated Anodyne COc1cc2[nH]c(C(=O)O)cc(=O)c2c2c1S(=O)(=O)c1ccccc1-2 ZINC000149037498 FE Annotated Anodyne COc1cccc2c1CCN1C(=O)CN=C(c3ccnc(N(C)C)c3)C=C21 ZINC000149055636 FE Annotated Anodyne CCc1cn(C2=NCC(=O)N3CCc4c(cccc4[C@@H](C)O)C3=C2)cn1 ZINC000149079566 FE Annotated Anodyne CCc1cn(C2=NCC(=O)N3CCc4c(cccc4[C@H](C)O)C3=C2)cn1 ZINC000149079792 FE Annotated Anodyne CCc1ncnc(N2CCC(O)(CC)CC2)c1C#Cc1ccc(N)nc1 ZINC000149161974 FE Annotated Mild CCc1ncnc(N2CCC(COC)CC2)c1C#Cc1ccc(N)nc1 ZINC000149197998 FE Annotated Mild CCc1ncnc(N2CCc3ncccc3C2)c1C#Cc1ccc(N)nc1 ZINC000149198970 FE Annotated Mild CO[C@@H](C)c1cccc2c1CCN1C(=O)CN=C(c3ccn(C)n3)C=C21 ZINC000149199989 FE Annotated Anodyne CO[C@H](C)c1cccc2c1CCN1C(=O)CN=C(c3ccn(C)n3)C=C21 ZINC000149200132 FE Annotated Anodyne Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cncnc4)C3=C2)cn1 ZINC000149203831 FE Annotated Anodyne O=C1CN=C(n2cnc(C3(O)CC3)c2)C=C2c3cccc(C4CC4)c3CCN12 ZINC000149212961 FE Annotated Anodyne CC(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3ccn(C)c3n2)C1 ZINC000149228879 FE Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1OC1(CCC1)C21COC1 ZINC000149228882 FE Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1OC1(CCC1)C21COC1 ZINC000149229143 FE Annotated Anodyne Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnccn4)C3=C2)cn1 ZINC000149232166 FE Annotated Anodyne C[C@@H](O)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1 ZINC000149247739 FE Annotated Anodyne C[C@H](O)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1 ZINC000149247941 FE Annotated Anodyne CCc1ncnc(N2CCC(C(C)(C)O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149259902 FE Annotated Mild O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3ccnc(C4CC4)c3CCN12 ZINC000149266059 FE Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@@H](C1CC1)C21COC1 ZINC000149290268 FE Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@@H](C1CC1)C21COC1 ZINC000149290457 FE Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@H](C1CC1)C21COC1 ZINC000149290656 FE Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@H](C1CC1)C21COC1 ZINC000149290860 FE Annotated Anodyne CC[C@@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 ZINC000149291905 FE Annotated Anodyne CC[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 ZINC000149292102 FE Annotated Anodyne CC[C@@H]1Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 ZINC000149292291 FE Annotated Anodyne CC[C@H]1Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 ZINC000149292530 FE Annotated Anodyne Cc1ccncc1N1CCN(c2ccc3c(c2)C(C)(C)C(=O)N3CO)C1=O ZINC000149328852 FE Annotated Anodyne Cn1c(OC[C@H]2CCN(c3ccsc3)C2)nc(-c2ccncn2)cc1=O ZINC000149419285 FE Annotated Anodyne CC(=O)O[C@@H]1/C=C/C(=O)O[C@H](C)CCC(=O)/C=C/C(=O)O[C@H](C)CC1 ZINC000149490902 FE Annotated Mild CC[C@]1(O)C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24 ZINC000149692465 FE Annotated Anodyne Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]nn5)n4)CCC3)cc2)cn1 ZINC000149812430 FE Annotated Anodyne COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C#N)n1 ZINC000149852371 FE Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cc(C(N)=O)n1 ZINC000149877832 FE Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C(N)=O)n1 ZINC000149947663 FE Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(C2CN(c3nc(N(C)C)ncc3F)C2)cc1 ZINC000149971791 FE Annotated Anodyne COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C#N)n1 ZINC000149995013 FE Annotated Anodyne CCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 ZINC000001541550 FE Annotated Anodyne Nc1c(F)ccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CC1CC1 ZINC000001549125 FE Annotated Anodyne CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)ccc21 ZINC000001549129 FE Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O ZINC000001566973 FE Annotated Anodyne COC(=O)[C@]12C[C@@H]3C[C@@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000001568204 FE Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H](C(C)=O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000001568208 FE Annotated Anodyne CNC(=O)OCc1nc(SC)n(-c2ccccc2)c1COC(=O)NC ZINC000001580123 FE Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(-c1ccc(Br)cc1)c(N)[n+]2[O-] ZINC000001616535 FE Annotated Anodyne O=S(=O)(C1=C[C@@H](S(=O)(=O)c2ccccc2)COC1)c1ccccc1 ZINC000001617491 FE Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1C(=O)N/C(=C\c2ccc(F)cc2)C1=O ZINC000001619979 FE Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1C(=O)N/C(=C\c2ccc(F)cc2)C1=O ZINC000001619981 FE Annotated Anodyne O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@H]2[C@H]2[C@@H](C1)C2(Cl)Cl ZINC000001620784 FE Annotated Anodyne CCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1 ZINC000001623197 FE Annotated Anodyne Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1C ZINC000001623974 FE Annotated Anodyne COc1ccc(NC(=O)C2=CC(=O)c3ccc(O)cc3C2=O)c(OC)c1 ZINC000001629836 FE Annotated Mild O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001632062 FE Annotated Reactive O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001632063 FE Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc([N+](=O)[O-])cc2)N1n1cnc2ccccc2c1=O ZINC000001632094 FE Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)N1n1cnc2ccccc2c1=O ZINC000001632095 FE Annotated Reactive COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1n1cnc2ccccc2c1=O ZINC000001632096 FE Annotated Reactive COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1n1cnc2ccccc2c1=O ZINC000001632097 FE Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 ZINC000001632098 FE Annotated Reactive COc1ccc([C@@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 ZINC000001632099 FE Annotated Reactive CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)[C@@H]1O)Nc1ccccc14)[C@H]32 ZINC000001632208 FE Annotated Anodyne CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccc(O)cc2)cc1 ZINC000001633103 FE Annotated Reactive CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccc(O)cc2)cc1 ZINC000001633104 FE Annotated Reactive CC1(C)OCN(c2ccc(S(N)(=O)=O)cc2)Cn2c1nc1ccccc12 ZINC000001633133 FE Annotated Anodyne Cc1nc(N(CCO)CCO)c2sc(=S)n(-c3ccccc3)c2n1 ZINC000001633230 FE Annotated Anodyne COc1cc(COC(=O)N[C@H](C(=O)O)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000001634808 FE Annotated Bother CN(C(=O)Cc1ccccc1)n1cnn(CC(=O)OC(C)(C)C)c1=S ZINC000001637804 FE Annotated Anodyne CCCCOCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000001638152 FE Annotated Mild CC(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000001645243 FE Annotated Anodyne Nc1nc(Cl)c(N)c(NCC2(CO)CC(OCc3ccccc3)C2)n1 ZINC000001645757 FE Annotated Anodyne CC(=O)Oc1ccc(-c2nnc(-c3ccc(OC(C)=O)cc3)nn2)cc1 ZINC000001646752 FE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ncn(COCCO)c3n2)cc1 ZINC000001647882 FE Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)OC[C@H]1CCCN2CCCC[C@H]12 ZINC000001650226 FE Annotated Anodyne COc1cc(OC)cc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000001652633 FE Annotated Mild N#Cc1c(N)n(-c2cccc(C(=O)O)c2)c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000001652635 FE Annotated Mild Cn1ccc(C(=O)N2CCSC2=S)c(OCc2ccccc2)c1=O ZINC000001652887 FE Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N(CCCCCN)OCCCN)c(C)c1 ZINC000001653374 FE Annotated Anodyne COC(=O)[C@H]1CC(C=[N+](C)C)=C(SC)N1C(=O)OCc1ccccc1 ZINC000001653529 FE Annotated Mild Cc1cc(C)c(S(=O)(=O)N(CCCCCCN)OCCCN)c(C)c1 ZINC000001653991 FE Annotated Anodyne CCOC(=O)n1c2ccccc2c2c(O)c(OC)c3c(c21)C(=O)NC3=O ZINC000001654590 FE Annotated Anodyne COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=O)cc(OC)c1OC ZINC000001654985 FE Annotated Mild COc1cc2c3c(cc(Cl)nc3c1OC)[C@](O)(CC(C)=O)C(=O)N2 ZINC000001656635 FE Annotated Anodyne COP(=O)(OC)[C@@](O)(c1ccccc1)[C@@H](O)[C@@H](O)c1ccccc1 ZINC000001656850 FE Annotated Anodyne COP(=O)(OC)[C@@](O)(c1ccccc1)[C@@H](O)[C@H](O)c1ccccc1 ZINC000001656851 FE Annotated Anodyne N#Cc1nc(Sc2cnsn2)c(Sc2cnsn2)nc1C#N ZINC000001657690 FE Annotated Mild O=S(=O)(/N=C(\O)Nc1nncs1)n1c(=S)sc2ccccc21 ZINC000001657918 FE Annotated Mild COC1=C(OC)C(=O)C(Cc2c(Cl)nc3n2CCS3)=C(C)C1=O ZINC000001662909 FE Annotated Mild COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H](C(=O)O)[C@H]2CO)ccc1O ZINC000001665311 FE Annotated Anodyne O=C(O)C[C@H]1OCC=C2CN3CC[C@]45c6ccccc6N[C@H]4[C@H]1[C@H]2C[C@H]35 ZINC000001711028 FE Annotated Anodyne C=c1[nH]n(-c2ccccc2)c(=O)/c1=C/c1ccc(OC)c(Br)c1 ZINC000001793672 FE Annotated Anodyne CCOC(=O)C[n+]1cccc(C2(c3cc4ccccc4[nH]3)OCCO2)c1 ZINC000001858572 FE Annotated Mild NNC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000001860804 FE Annotated Reactive COC(=O)C/N=C1\NC(=S)N(Cc2ccc(OC)cc2)C12CCCC2 ZINC000001861978 FE Annotated Mild O=c1c(Sc2ncccn2)c(Sc2ncccn2)cnn1CCl ZINC000001864885 FE Annotated Reactive CC1(C)C[C@H](O)C[C@]2(C)C(CCC3=CC(=O)OC3)=C(CO)C[C@H](O)[C@H]12 ZINC000015061229 FE Annotated Anodyne Cc1nonc1CN(C)C(=O)c1coc(CN2CCc3ccccc3C2)n1 ZINC000015062722 FE Annotated Anodyne COCc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)o1 ZINC000015063353 FE Annotated Anodyne COCc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)o1 ZINC000015063354 FE Annotated Anodyne COc1cccc(C[C@@]2(CO)CCCN(C(=O)C3=C(C)OCCO3)C2)c1 ZINC000015068947 FE Annotated Anodyne COc1cccc(C[C@]2(CO)CCCN(C(=O)C3=C(C)OCCO3)C2)c1 ZINC000015068949 FE Annotated Anodyne O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN1CCCC(F)(F)F ZINC000015070150 FE Annotated Anodyne O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1CCCC(F)(F)F ZINC000015070152 FE Annotated Anodyne O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1C[C@@H]1CCCO1 ZINC000015072139 FE Annotated Anodyne O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1C[C@@H]1CCCO1 ZINC000015072141 FE Annotated Anodyne O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1C[C@H]1CCCO1 ZINC000015072143 FE Annotated Anodyne O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1C[C@H]1CCCO1 ZINC000015072146 FE Annotated Anodyne CCCc1ccc2oc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)OC)c(C)c2c1 ZINC000015075256 FE Annotated Anodyne CCCc1ccc2oc(C(=O)N3CCNC(=O)[C@H]3CC(=O)OC)c(C)c2c1 ZINC000015075257 FE Annotated Anodyne CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](NC(=O)c2ccoc2)C1 ZINC000015079462 FE Annotated Anodyne CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](NC(=O)c2ccoc2)C1 ZINC000015079463 FE Annotated Anodyne Cc1n[nH]c(C)c1CCN(C)C(=O)c1cn(Cc2ccccc2F)nn1 ZINC000015080580 FE Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3=O ZINC000015110564 FE Annotated Anodyne in-vitro biogenic O=C1c2cc3ccoc3cc2O[C@@H]2COc3cc4c(cc3[C@@]12O)OCO4 ZINC000015147375 FE Annotated Anodyne in-man endogenous O=C1c2cc3ccoc3cc2O[C@H]2COc3cc4c(cc3[C@]12O)OCO4 ZINC000015147377 FE Annotated Anodyne in-man endogenous CN1CCc2cc3c(cc2[C@H]1[C@@H]1O[C@@H](O)c2c1ccc1c2OCO1)OCO3 ZINC000015149504 FE Annotated Anodyne C[C@]1(CO)[C@@H](O)CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@]3(C)CC[C@@H]12 ZINC000015158642 FE Annotated Anodyne in-vitro biogenic C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@H](CC(=O)C1)O2 ZINC000015199742 FE Annotated Mild C=C(C)[C@H]1C/C=C(/C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@H](CC(=O)C1)O2 ZINC000015199744 FE Annotated Mild CC[C@@H](C)[C@@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@H]32 ZINC000015200272 FE Annotated Mild CC[C@H](C)[C@@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@H]32 ZINC000015200274 FE Annotated Mild CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@H]32 ZINC000015200278 FE Annotated Anodyne C/C=C1\CN(C)C(=O)[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 ZINC000015203409 FE Annotated Anodyne COC(=O)c1cc2c(c(O)c1OC)CCN1CCC3=CC[C@H](OC)C[C@]321 ZINC000015203810 FE Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@H]12 ZINC000015209568 FE Annotated Mild COc1c(OC/C=C(\C)C[C@@H]2C=C(CO)C(=O)O2)ccc2ccc(=O)oc12 ZINC000015212029 FE Annotated Anodyne C=C1C[C@@H](C[C@]2(C)O[C@@H]2COc2ccc3ccc(=O)oc3c2O)OC1=O ZINC000015212358 FE Annotated Mild in-vitro biogenic C=C1C[C@H](C[C@@]2(C)O[C@@H]2COc2ccc3ccc(=O)oc3c2O)OC1=O ZINC000015212367 FE Annotated Mild C=C[C@@](C)(O)C[C@@H](/C=C(\C)[C@@H](C[C@@H](O)C(=C)C)OC(C)=O)OC(C)=O ZINC000015213787 FE Annotated Mild COC1=C[C@@]23CC[N+](C)([O-])[C@@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O ZINC000015216566 FE Annotated Mild C/C=C1/C[N+]2([O-])CC[C@@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@@H]1C[C@H]42 ZINC000015217163 FE Annotated Bother COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N+](C)([O-])CC2 ZINC000015219610 FE Annotated Bother COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)[N+](C)(C)CC2 ZINC000015219626 FE Annotated Bother CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1C2=O)OCO4)OCO3 ZINC000015219657 FE Annotated Anodyne C/C=C\c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1O ZINC000015219856 FE Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](OC(C)=O)C=C[C@@]31CCN(C(C)=O)C2 ZINC000015250799 FE Annotated Anodyne C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000015256543 FE Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000015256546 FE Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000015256549 FE Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000015256552 FE Annotated Mild in-man endogenous C=C1[C@H](O)[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 ZINC000015256555 FE Annotated Mild in-man endogenous C=C1[C@H](O)[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 ZINC000015256558 FE Annotated Mild in-man endogenous C=C1[C@H](O)[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 ZINC000015256562 FE Annotated Mild in-man endogenous C=C1[C@H](O)[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 ZINC000015256565 FE Annotated Mild in-man endogenous COC1=C(c2ccc(OC)cc2)C(=O)[C@H](O)[C@@](O)(c2ccc(OC)cc2)C1 ZINC000015257974 FE Annotated Mild O=C1[C@@H]2CO[C@@]1(c1ccc3c(c1)OCO3)CO[C@@H]2c1ccc2c(c1)OCO2 ZINC000015262113 FE Annotated Anodyne C[n+]1cccc(-c2ncc(-c3ccc(OC[C@H](O)C(C)(C)O)cc3)o2)c1 ZINC000015266395 FE Annotated Anodyne COC1=C(OC)[C@@]23CCc4ccc(OC)c(OC)c4[C@@]2(CCN3C)CC1=O ZINC000015267736 FE Annotated Anodyne COC1=C(OC)[C@@]23CCc4ccc(O)c(OC)c4[C@@]2(CCN3C)CC1=O ZINC000015267740 FE Annotated Mild in-vitro biogenic COC1=C(OC)[C@]23CCc4ccc(O)c(OC)c4[C@]2(CCN3C)CC1=O ZINC000015267743 FE Annotated Mild C[C@H]1OC=C2c3c(c4ccccc4n3C(=O)CO)CCN3C[C@@H]1[C@H]2CC3=O ZINC000015269076 FE Annotated Anodyne C[C@H]1OC=C2c3c(c4ccccc4n3C(=O)CO)CCN3C[C@@H]1[C@@H]2CC3=O ZINC000015269082 FE Annotated Anodyne C#CCOc1cnc(C(=O)Nc2cccc(CNc3cccnc3N)c2)cn1 ZINC000150184406 FE Annotated Mild O=C(c1cc2ncc(Br)cn2n1)N1CCc2cccnc2CC1 ZINC000150217666 FE Annotated Anodyne Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000150338573 FE Annotated Anodyne Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000150338574 FE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000150338615 FE Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000150338616 FE Annotated Anodyne CCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000150338618 FE Annotated Anodyne Cc1c(N2CCSCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000150561838 FE Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3ccc(F)cc3)nn2c1O ZINC000015668903 FE Annotated Anodyne CCOC(=O)Cc1c(C)nc2nc(NCc3ccccc3C)nn2c1O ZINC000015668914 FE Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3F)nn2c1O ZINC000015668916 FE Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3cccs3)nn2c1O ZINC000015668936 FE Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(SC)cc3)nc2n1 ZINC000015668966 FE Annotated Anodyne COc1cccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)c1OC ZINC000015669041 FE Annotated Anodyne CC(C)(C)CC(=O)N1CC[C@H]2CC(=O)N(CCc3c[nH]cn3)CC[C@H]2C1 ZINC000015672899 FE Annotated Anodyne O=C1C=C[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1N2Cc1ccccc1 ZINC000015769386 FE Annotated Mild CN1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2F)C3)CC1 ZINC000015779394 FE Annotated Anodyne CC(C)CN1CCc2nc(N3CCN(c4ccccn4)CC3)ncc2C1 ZINC000015779629 FE Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1 ZINC000015837327 FE Annotated Reactive COc1ccc(C2=NN=C/C2=C\NNC(=O)c2cccs2)cc1OC ZINC000015837331 FE Annotated Reactive CCOC1=C/C(=C/NNC(=O)c2ccc(NC(=O)C3CC3)cc2)C=CC1=O ZINC000015879922 FE Annotated Reactive COc1ccccc1OCC(=O)NN/C=C1\C(=O)C=Cc2ccccc21 ZINC000015890091 FE Annotated Reactive CS(=O)(=O)Nc1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1 ZINC000015935004 FE Annotated Clean Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 ZINC000015936411 FE Annotated Anodyne Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 ZINC000015936412 FE Annotated Anodyne CCN1C(NCCCCO)=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C ZINC000015937393 FE Annotated Anodyne CCN1C(NCCOC)=N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000015937413 FE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)NN/C=C2\C=Nc3ccccc32)c1 ZINC000015952110 FE Annotated Anodyne Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)cc1 ZINC000015952260 FE Annotated Anodyne COC(=O)CNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952443 FE Annotated Clean COC(=O)CNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952444 FE Annotated Clean COC(=O)CNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000015952445 FE Annotated Clean COC(=O)CNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 ZINC000015952446 FE Annotated Clean Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)NCCCN1CCOCC1)N2 ZINC000015952459 FE Annotated Clean Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)NCCCN1CCOCC1)N2 ZINC000015952460 FE Annotated Clean Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)NCCCN1CCOCC1)N2 ZINC000015952461 FE Annotated Clean Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)NCCCN1CCOCC1)N2 ZINC000015952462 FE Annotated Clean COc1ccc2[nH]c(=O)c(-c3nnn(-c4ccc(Cl)nc4)n3)cc2c1 ZINC000015952726 FE Annotated Anodyne O=C(CCl)C1=C/C(=C/NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N=C1 ZINC000015953215 FE Annotated Reactive CCn1c(C)nc2cc(C(=O)NN/C=C3\C=CC=C(OC)C3=O)ccc21 ZINC000015961994 FE Annotated Reactive CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(F)cc3)c(O)n2n1 ZINC000015973621 FE Annotated Anodyne O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1ccc(Cn2cccn2)o1 ZINC000015973656 FE Annotated Reactive COc1ccc2c(c1)c(C(=O)NN/C=C1/C=CC(=O)C(O)=C1)c(C)n2C ZINC000015974043 FE Annotated Reactive O=C1C=C/C(=C/NNc2ncnc3c2ncn3Cc2ccccc2)C=C1O ZINC000015974294 FE Annotated Mild O=C1C2=C3C(=C/C1=C\NNC(=O)c1ccccc1O)CCCN3CCC2 ZINC000015974303 FE Annotated Reactive COC1=C/C(=C\NNc2nncc(-c3ccc(OC)cc3)n2)C=CC1=O ZINC000015974347 FE Annotated Mild COc1ccc(/C=N\n2c(S)nnc2-c2[nH]nc3c2CCC3)cc1OC ZINC000015987598 FE Annotated Mild Cc1ccccc1C(=O)Nc1nnc(CC(=O)N/N=C\c2ccco2)s1 ZINC000015987621 FE Annotated Reactive COc1cc(/C=N\n2c(S)nnc2-c2cc(C)n[nH]2)cc(OC)c1OC ZINC000015987693 FE Annotated Mild COc1ccc(OC)c(/C=N\n2c(S)nnc2-c2[nH]nc3c2CCC3)c1 ZINC000015987712 FE Annotated Mild COC(=O)/C1=C2\Nc3ccccc3[C@@]23CCN(C/C=C\[C@@](C)(C=O)C1)C3=O ZINC000156705374 FE Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@H](C)CC)CC/C=C(\CO)C(=O)C[C@@H]12 ZINC000156903076 FE Annotated Mild biogenic CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000016265470 FE Annotated Clean COC1=c2c(cc3c(OC)c(OC)c(OC)c4ccnc2c43)C=CC1=O ZINC000164276461 FE Annotated Mild C=C(C)[C@H]1CC[C@]2(O)C(=O)O[C@@H]3CC(C)=C[C@]4(C=C(C)[C@](O)(C1)O4)O[C@@H]32 ZINC000165089858 FE Annotated Mild COC(=O)Cn1ncc(N2[C@H]3C[C@@H](CC(C)(C)C3)[C@H]2C)c(Cl)c1=O ZINC000165794718 FE Annotated Anodyne COC1=C(OC)[C@H]2[C@H]3Cc4cc(OC)c(OC)cc4[C@@]2(CCN3C)CC1=O ZINC000165827463 FE Annotated Mild C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@]12O)[C@@](O)(CO)C3 ZINC000166422850 FE Annotated Anodyne NCC=C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000166645367 FE Annotated Anodyne COC(=O)[C@]12C[C@@H]3C[C@@H]([C@@H](C)O)[C@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000166945433 FE Annotated Anodyne NC(=O)c1ccccc(N[C@H](CNCCS)c2ccccc2)ncnc1 ZINC000166947409 FE Annotated Mild C=[N+]([O-])c1cccc([C@@H](COC)Nc2ncnc3c(C(N)=O)cccc23)c1 ZINC000166960061 FE Annotated Mild C=[N+]([O-])c1cccc([C@H](COC)Nc2ncnc3c(C(N)=O)cccc23)c1 ZINC000166960165 FE Annotated Mild COC1=CC=CC[C@@H]1[C@@H](CN(C)C)Nc1ncnc2c(C(N)=O)cccc12 ZINC000167069604 FE Annotated Anodyne COC1=CC=CC[C@H]1[C@@H](CN(C)C)Nc1ncnc2c(C(N)=O)cccc12 ZINC000167069706 FE Annotated Anodyne COC1=CC=CC[C@@H]1[C@H](CN(C)C)Nc1ncnc2c(C(N)=O)cccc12 ZINC000167069804 FE Annotated Anodyne COC1=CC=CC[C@H]1[C@H](CN(C)C)Nc1ncnc2c(C(N)=O)cccc12 ZINC000167069913 FE Annotated Anodyne O=C(CCO)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000167621836 FE Annotated Anodyne CS(=O)(=O)CC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 ZINC000168158735 FE Annotated Anodyne CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000168200076 FE Annotated Anodyne COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nc(C)cn23)cn1 ZINC000168327090 FE Annotated Anodyne N#Cc1ccnc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)n1 ZINC000168370419 FE Annotated Mild N#Cc1cncc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)n1 ZINC000168435789 FE Annotated Mild CN(C)CC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000168483920 FE Annotated Anodyne CC[C@@]1(O)C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24 ZINC000169174451 FE Annotated Anodyne O=C(c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CCC1 ZINC000169252421 FE Annotated Anodyne CNc1ccccc1C(=O)O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN21)[C@@H]35 ZINC000169290837 FE Annotated Anodyne CNc1ccccc1C(=O)O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@]1(OCCCN12)[C@@H]35 ZINC000169290838 FE Annotated Anodyne CNc1ccccc1C(=O)O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN13)[C@H]6[C@H]52 ZINC000169290839 FE Annotated Anodyne CNc1ccccc1C(=O)O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@]3(OCCCN31)[C@H]6[C@H]52 ZINC000169290840 FE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CCC(=O)n1cnc2ccccc21)[C@@H]1C[C@H]31 ZINC000169290853 FE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 ZINC000169290854 FE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 ZINC000169290856 FE Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 ZINC000169290858 FE Annotated Anodyne C/C1=C/C(=O)[C@@H](C(C)C)C[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1 ZINC000169292420 FE Annotated Mild O=C1OC[C@@H]([C@@H](O)c2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000169292499 FE Annotated Anodyne O=C1OC[C@H]([C@@H](O)c2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000169292500 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1cnc2ccccc2c1 ZINC000169293734 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 ZINC000169293735 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 ZINC000169293736 FE Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cnc2ccccc2c1 ZINC000169293737 FE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294346 FE Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294347 FE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169294348 FE Annotated Anodyne C=CC[C@H](Nc1ccccc1)[C@]12C=C[C@@H](O1)C(C(=O)OC)=C2C(=O)OC ZINC000169294665 FE Annotated Mild Cn1cc2c(c1)-c1c(cc(S(=O)(=O)c3ccccc3)c(=O)n1C)CC2 ZINC000169294705 FE Annotated Anodyne O=C(NC1CCCC1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000169295896 FE Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000169295897 FE Annotated Anodyne Cc1cc(/N=N\c2ccccc2)c(NC[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1C ZINC000169297650 FE Annotated Clean Cc1cc(/N=N\c2ccccc2)c(NC[C@H](O)[C@@H](O)[C@@H](O)CO)cc1C ZINC000169297652 FE Annotated Clean COC1(C#C[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1 ZINC000169298080 FE Annotated Mild Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1Cl ZINC000169299399 FE Annotated Anodyne Cc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1Cl ZINC000169299400 FE Annotated Anodyne Cc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1Cl ZINC000169299401 FE Annotated Anodyne Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)NCCCN1CCOCC1)N2 ZINC000169299591 FE Annotated Clean Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)NCCCN1CCOCC1)N2 ZINC000169299593 FE Annotated Clean COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN[C@H]1[C@@H]1OC(C)(C)O[C@H]21 ZINC000169301007 FE Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)[C@@H]1O)Nc1ccccc14)[C@@H]32 ZINC000169301122 FE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169302274 FE Annotated Anodyne CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169302275 FE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169302277 FE Annotated Anodyne COc1ccc(CCN/C=C2/C=C(Br)C(=O)OC2=O)cc1 ZINC000169303654 FE Annotated Reactive CC(C)[C@H](NC(=O)OC(C)(C)C)c1cc(C(=O)NCCO)c(N)s1 ZINC000169303886 FE Annotated Anodyne O=C(O)C[C@H]1OCC=C2CN3CC[C@@]45c6ccccc6N[C@@H]4[C@@H]1[C@@H]2C[C@@H]35 ZINC000169303980 FE Annotated Anodyne Cc1ccc(-[n+]2noc(O)c2CN2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000169304514 FE Annotated Anodyne C=CCNC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O ZINC000169304700 FE Annotated Mild O=C(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc2ccccc2o1 ZINC000169304721 FE Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CC(F)(F)F ZINC000169304867 FE Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1CC(F)(F)F ZINC000169304868 FE Annotated Anodyne CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCc1ccco1 ZINC000169305122 FE Annotated Anodyne CC(C)(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCc1ccco1 ZINC000169305123 FE Annotated Anodyne CNCCN(C)Cc1nc2ccc(C#N)cc2c(=O)n1-c1ccccc1F ZINC000169305379 FE Annotated Mild O=C(Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1O)c1ccc2c(c1)OCO2 ZINC000169305397 FE Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4cncnc4)n3n2)c1 ZINC000169306688 FE Annotated Anodyne Cc1ccc(NC[C@@H](O)[C@@H](O)[C@@H](O)CO)c(/N=N\c2ccccc2)c1C ZINC000169308664 FE Annotated Clean Cc1ccc(NC[C@H](O)[C@@H](O)[C@@H](O)CO)c(/N=N\c2ccccc2)c1C ZINC000169308667 FE Annotated Clean C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CNCC3CCNCC3)[C@@H]2CC1 ZINC000169308982 FE Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](CO)C2 ZINC000169309343 FE Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2C[C@@H](CO)C[C@@H]1Cc1[nH]ncc12 ZINC000169309345 FE Annotated Anodyne CC(C)CCNC(=O)Cn1cc(Br)c2ncccc2c1=O ZINC000169309822 FE Annotated Anodyne O=C1CC(Nc2ccccc2Nc2ccc(N3CCCCC3)nn2)=NN1 ZINC000169310447 FE Annotated Anodyne C[n+]1nn(-c2ccc(C(F)(F)F)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000169310470 FE Annotated Clean C/C(NCCOc1ccccc1)=C1/C(=O)[C@@H]2CO[C@@H](C(C)(C)C)N2C1=O ZINC000169310874 FE Annotated Mild C/C(NCCOc1ccccc1Cl)=C1/C(=O)[C@@H]2CCCC(=O)N2C1=O ZINC000169310876 FE Annotated Mild COC(=O)[C@@]12CO[C@@H](C(C)(C)C)N1C(=O)/C(=C(\C)Nc1ccccc1)C2=O ZINC000169310878 FE Annotated Mild C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(C(=O)N4CCO[C@H]41)[C@H]2C[C@H]3O ZINC000169312924 FE Annotated Mild C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCO)[C@H]1O[C@@H]3C[C@H]42 ZINC000169312930 FE Annotated Mild C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(CN(CCO)C1)[C@H]2C[C@H]3O ZINC000169312937 FE Annotated Mild C[C@](O)(COc1ccc(F)cc1C#N)C(=O)N1CCc2c(C#N)cccc21 ZINC000169313291 FE Annotated Mild C[C@](O)(COc1ccc(C#N)cc1F)C(=O)N1CCc2c(C#N)cccc21 ZINC000169313295 FE Annotated Mild COc1ccc2c(=O)c(-c3ccccc3)c(C(=O)Nc3nnn[nH]3)oc2c1 ZINC000169315151 FE Annotated Anodyne CCCCc1ccc(NC(=O)C(=O)OCC)cc1NC(=O)C(=O)OCC ZINC000169316022 FE Annotated Anodyne CCOC(=O)c1ccccc1N/C(C)=C1\C(=O)OC(=O)C(C(C)=O)=C1O ZINC000169316275 FE Annotated Reactive Cc1ccc2c(c1)[C@]1(C)C=C(NC(=O)CN3CCCCC3)C(=O)C[C@@H]1O2 ZINC000169316322 FE Annotated Mild Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCCC3)[C@@H]1O2 ZINC000169316339 FE Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](C)O)CC(=O)O1 ZINC000169316354 FE Annotated Anodyne C[C@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169316356 FE Annotated Anodyne CCCCNC(=O)n1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 ZINC000169316554 FE Annotated Anodyne CCC(=O)Nc1ccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169316794 FE Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(NC(=O)C(C)C)cc2)C(=O)OC1=O ZINC000169316795 FE Annotated Reactive CCOC(=O)Nc1cccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169316807 FE Annotated Reactive CN(CCCl)[P@@]1(=O)OCC[C@@H](OO)N1CCBr ZINC000169319569 FE Annotated Reactive CN(CCCl)[P@]1(=O)OCC[C@@H](OO)N1CCBr ZINC000169319570 FE Annotated Reactive CN(CCBr)[P@@]1(=O)OCC[C@@H](OO)N1CCCl ZINC000169319571 FE Annotated Reactive CN(CCBr)[P@]1(=O)OCC[C@@H](OO)N1CCCl ZINC000169319572 FE Annotated Reactive CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)CCC(=O)O)c3ccccc23)S1 ZINC000169319782 FE Annotated Anodyne CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)CCC(=O)O)c3ccccc23)S1 ZINC000169319783 FE Annotated Anodyne CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)CCC(=O)O)c3ccccc23)S1 ZINC000169319784 FE Annotated Anodyne CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)CCC(=O)O)c3ccccc23)S1 ZINC000169319785 FE Annotated Anodyne COc1cccc2c1S(=O)(=O)c1ccc3[nH]c(C(=O)O)cc(=O)c3c1-2 ZINC000169319964 FE Annotated Anodyne CS(=O)(=O)Nc1ccccc1-c1cc2ccccc2n1S(C)(=O)=O ZINC000169320878 FE Annotated Anodyne Cc1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322208 FE Annotated Anodyne Cc1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322211 FE Annotated Anodyne Cc1ccccc1Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000169322251 FE Annotated Anodyne Cc1ccccc1Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000169322252 FE Annotated Anodyne Cc1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322253 FE Annotated Anodyne Cc1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322254 FE Annotated Anodyne Cc1ccccc1Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000169323732 FE Annotated Anodyne Cc1ccccc1Nc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000169323734 FE Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323944 FE Annotated Anodyne O=S(=O)(c1ccc(F)cc1)c1nc2ccccc2nc1N1CCOCC1 ZINC000169324544 FE Annotated Anodyne O=S(=O)(N/N=C/c1cccc[n+]1[O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000169324664 FE Annotated Mild CCN1CNS(=O)(=O)c2cc(C(=O)OCCc3ccccc3)ccc21 ZINC000169325231 FE Annotated Anodyne O=C1NC(=O)[C@@H](C[C@@H]2COc3ccc(Br)cc3C2=O)S1 ZINC000169325620 FE Annotated Anodyne O=C1NC(=O)[C@H](C[C@@H]2COc3ccc(Br)cc3C2=O)S1 ZINC000169325621 FE Annotated Anodyne O=C1NC(=O)[C@@H](C[C@H]2COc3ccc(Br)cc3C2=O)S1 ZINC000169325622 FE Annotated Anodyne O=C1NC(=O)[C@H](C[C@H]2COc3ccc(Br)cc3C2=O)S1 ZINC000169325623 FE Annotated Anodyne O=C1N[C@@H]2[C@@H](NCc3ccccc3)CCC[C@H]2N(Cc2ccccc2)C1=O ZINC000169325644 FE Annotated Anodyne CNCc1nn(C)c(=O)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000169331248 FE Annotated Anodyne COc1ccc(-n2nnnc2OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331786 FE Annotated Bother COc1ccc(-n2nnnc2SCc2cc(N)cc([N+](=O)[O-])c2)cc1 ZINC000169332056 FE Annotated Bother COC(C)(C)Cn1cc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 ZINC000169333460 FE Annotated Anodyne CCCNC(=S)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000169336419 FE Annotated Anodyne CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(Br)cc2)C(=O)OC1=O ZINC000169336535 FE Annotated Reactive O=C1Oc2ccccc2C(=O)/C1=N/Nc1ncc(Br)s1 ZINC000169337394 FE Annotated Mild CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 ZINC000169340089 FE Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 ZINC000169340091 FE Annotated Anodyne C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C/C(C)=C\C(=O)[C@H](OC)CC(=O)C1)[C@H]2O ZINC000169340930 FE Annotated Mild C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C/C(C)=C\C(=O)[C@H](OC)CC(=O)C1)[C@H]2O ZINC000169340933 FE Annotated Mild NC(=S)N/N=C1/C=C(Nc2ccccc2)C(Nc2ccccc2)=NC1=O ZINC000169341095 FE Annotated Mild C[C@@H]1CCC/C=C\[C@@H]2C[C@@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 ZINC000169342826 FE Annotated Anodyne C[C@@H]1CCC/C=C/[C@@H]2C[C@@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 ZINC000169342829 FE Annotated Anodyne Cc1c(F)c(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H]([N+](=O)[O-])[C@H]3O ZINC000169342985 FE Annotated Bother CC1(C)CCc2c3c(c4oc(=O)c5c(c4c2O1)CCC5)[C@H](O)[C@@H]([N+](=O)[O-])O3 ZINC000169342987 FE Annotated Bother O=C(Nc1ccc(Br)cc1)C1=C(O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O ZINC000169344895 FE Annotated Mild O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O ZINC000169344896 FE Annotated Mild O=C(Nc1ccc(Br)cc1)C1=C(O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O ZINC000169344898 FE Annotated Mild O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O ZINC000169344900 FE Annotated Mild CCOC(=O)c1cnn2c(N/N=C/c3ccc([N+](=O)[O-])o3)cc(C)nc12 ZINC000169347802 FE Annotated Mild C[C@@H]1C[C@H]2C(=O)C(C)(C)[C@@H](O)CC[C@]2(O)[C@]1(C)CCC1=CC(=O)OC1 ZINC000169348823 FE Annotated Anodyne C[C@@H]1CC[C@]2(O)[C@H](C[C@H](O)C2(C)C)C(=O)[C@]1(C)CCC1=CC(=O)OC1 ZINC000169348824 FE Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)[C@@H](C)O)=C\C[C@H]12 ZINC000169349067 FE Annotated Mild COc1ccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1OC ZINC000169349247 FE Annotated Bother Nc1[nH]cnc2c(CN3C[C@@H](O)[C@@H](CSCc4ccccc4)C3)cnc1-2 ZINC000169350015 FE Annotated Anodyne Cn1c(=O)c2c(Cl)cccc2c(=O)n1CCCNC(=O)OC(C)(C)C ZINC000169350347 FE Annotated Anodyne Cn1c(=O)c2cccc(Cl)c2c(=O)n1CCCNC(=O)OC(C)(C)C ZINC000169350364 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](n3cc(CCC)nn3)CC(=O)[C@@]21C ZINC000169351057 FE Annotated Mild Cn1ncc(C(=O)N2CC[C@@H](Nc3cc(=O)[nH]c4ccccc34)C2)c1Cl ZINC000169351296 FE Annotated Anodyne Cn1ncc(C(=O)N2CC[C@H](Nc3cc(=O)[nH]c4ccccc34)C2)c1Cl ZINC000169351297 FE Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(F)cc32)c1C ZINC000169351315 FE Annotated Anodyne CC(C)N1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)CC1 ZINC000169352934 FE Annotated Anodyne Cn1c(C(=O)N2CCCNCC2)c(Cl)c2[nH]c(=O)c3ccccc3c21 ZINC000169352948 FE Annotated Anodyne CN(C)C1CCN(C(=O)c2cc3c(n2C)-c2ccccc2C(=O)NC3)CC1 ZINC000169352951 FE Annotated Anodyne CC(=O)N1CCN(Cc2oc3c(c2C)C(=O)C(=O)c2ccccc2-3)CC1 ZINC000169353279 FE Annotated Clean CC(C)CCO[C@@H]1C=CC(=O)[C@@H](Cn2cc(CCBr)nn2)O1 ZINC000169353706 FE Annotated Reactive CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 ZINC000169355443 FE Annotated Anodyne CCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 ZINC000169355444 FE Annotated Anodyne CCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 ZINC000169355445 FE Annotated Anodyne O=C1C=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1N2Cc1ccccc1 ZINC000169355677 FE Annotated Mild CCC1=C(O)CC(O)=C([C@@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@@H]3N2C)C1 ZINC000169356130 FE Annotated Anodyne CCC1=C(O)CC(O)=C([C@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@@H]3N2C)C1 ZINC000169356131 FE Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169356132 FE Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169356133 FE Annotated Anodyne C[C@H]1CC[C@H]2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169356135 FE Annotated Anodyne C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000169356255 FE Annotated Anodyne C=C(CCO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C\[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000169358651 FE Annotated Mild C=C(CCO)C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C\[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000169358652 FE Annotated Mild C/C1=C/CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4 ZINC000169359659 FE Annotated Anodyne C[C@@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O ZINC000169363427 FE Annotated Anodyne C[C@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O ZINC000169363428 FE Annotated Anodyne COC(=O)CNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169363924 FE Annotated Clean COC(=O)CNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169363925 FE Annotated Clean C[C@H]1CCC/C=C\[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 ZINC000169366691 FE Annotated Anodyne C[C@H]1CCC/C=C\[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 ZINC000169366692 FE Annotated Anodyne C[C@H]1CCC/C=C/[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C/C(=O)O1 ZINC000169366693 FE Annotated Anodyne CC(C)[C@H]1/C=C\[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 ZINC000169367016 FE Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCCO)CC(=O)O1 ZINC000169368287 FE Annotated Anodyne C=C(C)[C@H]1C/C=C(/C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@@H](CC(=O)C1)O2 ZINC000169369437 FE Annotated Mild C[C@@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@@H]2CCN(C)C[C@H]21 ZINC000169373661 FE Annotated Anodyne C[C@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@@H]2CCN(C)C[C@H]21 ZINC000169373662 FE Annotated Anodyne C[C@@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@H]2CCN(C)C[C@@H]12 ZINC000169373663 FE Annotated Anodyne C[C@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@H]2CCN(C)C[C@H]21 ZINC000169373664 FE Annotated Anodyne C[C@]12CC=C3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1[C@@H]1C=C[C@@]2(O)C(=O)O1 ZINC000169495480 FE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)[C@H]1CO[C@@H](c2ccc3c(c2)OCO3)[C@@H]1CO ZINC000169598730 FE Annotated Anodyne in-man C=C[C@]1(C)C=C(C(=O)O)[C@@]2(CC1)OC(=O)[C@H]1[C@](C)(CO)CC[C@@H](O)[C@@]12C ZINC000169638766 FE Annotated Mild C[C@@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1C[C@@H](C1=CCOC1=O)O2 ZINC000169639199 FE Annotated Anodyne C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000169643040 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2CC[C@H](C)[C@@]1(O)C(=O)/C=C/C ZINC000169643569 FE Annotated Mild C=C(C(=O)OC)[C@H]1C[C@@]2(OO)C(=C)CC[C@@H](O)[C@]2(C)C[C@H]1OC(C)=O ZINC000169646384 FE Annotated Reactive CC(C)=C[C@H]1O[C@@]2(C)C[C@H]3O[C@@]14[C@@H](C)[C@@H]1CC[C@H](C)[C@]1(O)[C@](O)(O3)[C@H]24 ZINC000169647072 FE Annotated Anodyne CO[C@@H]1OC2=C(C[C@H]1O)C(=O)C(O)=C1C2=C[C@@H](O)[C@H]2C(C)=C(C)CC[C@]12C ZINC000169648949 FE Annotated Mild C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@@H]3C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000169650994 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@H](O)CC(=O)[C@]21C ZINC000169655186 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000169662913 FE Annotated Anodyne C[C@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@]2(C)C(=O)[C@@H]2C(=O)[C@H]([C@@H](C)O)N(C)C2=O)C1 ZINC000169673053 FE Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1C[C@@H](C1=CCOC1=O)O2 ZINC000169674239 FE Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1C[C@H](C1=CCOC1=O)O2 ZINC000169674240 FE Annotated Anodyne COc1ccc(F)c(CCNC(=S)NN2C=C[C@@H](Cl)C=N2)c1C#N ZINC000169684772 FE Annotated Reactive COc1ccc(F)c(CCNC(=S)NN2C=C[C@H](Cl)C=N2)c1C#N ZINC000169684773 FE Annotated Reactive C[C@@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2cc(O)[nH]c2=O)cc1 ZINC000169685084 FE Annotated Anodyne C[C@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2cc(O)[nH]c2=O)cc1 ZINC000169685085 FE Annotated Anodyne C[C@@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2c(O)c[nH]c2=O)cc1 ZINC000169685086 FE Annotated Anodyne C[C@H](C(=O)Nc1cc(C2CC2)n[nH]1)c1ccc(-n2c(O)c[nH]c2=O)cc1 ZINC000169685087 FE Annotated Anodyne NS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH][nH]cc4c23)cc1 ZINC000169685139 FE Annotated Clean NS(=O)(=O)c1ccc(/N=C/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1 ZINC000169685145 FE Annotated Mild COCCNC(=O)c1ccc(OCc2c([C@@H]3CCCCN3)noc2C)nc1 ZINC000169685418 FE Annotated Anodyne COCCNC(=O)c1ccc(OCc2c([C@H]3CCCCN3)noc2C)nc1 ZINC000169685419 FE Annotated Anodyne O=C(NC1CC1)c1ccc(OCc2conc2[C@@H]2CC[C@@H](F)CN2)nc1 ZINC000169685449 FE Annotated Anodyne O=C(NC1CC1)c1ccc(OCc2conc2[C@H]2CC[C@@H](F)CN2)nc1 ZINC000169685450 FE Annotated Anodyne O=C(NC1CC1)c1ccc(OCc2conc2[C@@H]2CC[C@H](F)CN2)nc1 ZINC000169685451 FE Annotated Anodyne O=C(NC1CC1)c1ccc(OCc2conc2[C@H]2CC[C@H](F)CN2)nc1 ZINC000169685452 FE Annotated Anodyne CCOC(=O)C1=C(C)OC(=N)[C-](C#N)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000169686877 FE Annotated Mild CCOC(=O)C1=C(C)OC(=N)[C-](C#N)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000169686878 FE Annotated Mild COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O ZINC000169687302 FE Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O ZINC000169687303 FE Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O ZINC000169687304 FE Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)c2ccccc2)C(=O)C(=O)N1C[C@@H](C)O ZINC000169687305 FE Annotated Anodyne COc1cc([C@@H]2c3c(cc(C)oc3=O)OC(=N)[C@@H]2C#N)cc2c1OCO2 ZINC000169687535 FE Annotated Mild COc1cc([C@H]2c3c(cc(C)oc3=O)OC(=N)[C@@H]2C#N)cc2c1OCO2 ZINC000169687536 FE Annotated Mild COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1OC ZINC000169687589 FE Annotated Anodyne COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1OC ZINC000169687590 FE Annotated Anodyne C[C@@H](NC(=O)Cn1c(NCCO)nc2ccccc21)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000169687857 FE Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000169688098 FE Annotated Anodyne COc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000169688099 FE Annotated Anodyne COc1ccc([C@@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000169688100 FE Annotated Anodyne COc1ccc([C@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000169688101 FE Annotated Anodyne NS(=O)(=O)c1ccc(/N=N/Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000169688572 FE Annotated Clean Cc1ncc(C=O)c(CNNC(=O)c2ccc(Br)cc2)c1O ZINC000169689095 FE Annotated Reactive O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)Nc1cnc2ccccc2c1 ZINC000169689782 FE Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@@H]21)Nc1cnc2ccccc2c1 ZINC000169689783 FE Annotated Anodyne Cc1ccccc1-n1c(O)c(/C=N/c2ccc(N(C)C)cc2)c(=O)[nH]c1=O ZINC000169689799 FE Annotated Mild COc1cc(C)cc(C(=O)O)c1[C@H]1C(=O)C(=O)c2c(O)cccc2C1=O ZINC000169689845 FE Annotated Clean COc1cc(C)cc(C(=O)O)c1[C@@H]1C(=O)C(=O)c2c(O)cccc2C1=O ZINC000169689846 FE Annotated Clean CCOc1ccc[c-](/C=N/NC(=S)Nc2ccccc2[N+](=O)[O-])c1=O ZINC000169689914 FE Annotated Mild CCN(CC)CCC/N=C(\C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O ZINC000169690270 FE Annotated Mild COc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1 ZINC000169690673 FE Annotated Anodyne COc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1 ZINC000169690674 FE Annotated Anodyne COc1ccc([C@@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1 ZINC000169690675 FE Annotated Anodyne COc1ccc([C@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1 ZINC000169690676 FE Annotated Anodyne COc1ccccc1NC(=O)[C@@H]1C(C)=Nc2nnnn2[C@@H]1c1ccncc1 ZINC000169690989 FE Annotated Anodyne COc1ccccc1NC(=O)[C@H]1C(C)=Nc2nnnn2[C@@H]1c1ccncc1 ZINC000169690990 FE Annotated Anodyne COc1ccccc1NC(=O)[C@@H]1C(C)=Nc2nnnn2[C@H]1c1ccncc1 ZINC000169690991 FE Annotated Anodyne COc1ccccc1NC(=O)[C@H]1C(C)=Nc2nnnn2[C@H]1c1ccncc1 ZINC000169690992 FE Annotated Anodyne CC1=NC(=S)N[C@@H](c2c(C)cc(C)cc2C)[C@H]1C(=O)N1CCOCC1 ZINC000169691254 FE Annotated Anodyne CC1=NC(=S)N[C@H](c2c(C)cc(C)cc2C)[C@H]1C(=O)N1CCOCC1 ZINC000169691255 FE Annotated Anodyne CC1=NC(=S)N[C@@H](c2c(C)cc(C)cc2C)[C@@H]1C(=O)N1CCOCC1 ZINC000169691256 FE Annotated Anodyne CC1=NC(=S)N[C@H](c2c(C)cc(C)cc2C)[C@@H]1C(=O)N1CCOCC1 ZINC000169691257 FE Annotated Anodyne COC1=CC=C/C(=C\NNC(=S)N[C@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@H]32)C1=O ZINC000169691269 FE Annotated Mild COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@H]32)C1=O ZINC000169691270 FE Annotated Mild C=c1[nH]/c(=C/c2cc(C)n(-c3ccccc3C)c2C)c(O)c1C(=O)OC ZINC000169691523 FE Annotated Clean Cc1ccc(NC(=O)C[n+]2ccn([C-]3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000169691812 FE Annotated Mild Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c([C@@H]3C=CC(=O)C(=O)C3)c12 ZINC000169691895 FE Annotated Mild Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c([C@H]3C=CC(=O)C(=O)C3)c12 ZINC000169691896 FE Annotated Mild C=CCS/C(N)=N\N=C\[c-]1cc(Br)cc([N+](=O)[O-])c1=O ZINC000169691915 FE Annotated Mild O=C(Cc1sc2ncnn2c1O)Nc1ccc(Br)cc1 ZINC000169691929 FE Annotated Anodyne CC(C)(C)c1ccc(NC(=O)C2=CN3C=CS(=O)(=O)N[C@@H]3C=C2)cc1 ZINC000169691967 FE Annotated Anodyne CC(C)(C)c1ccc(NC(=O)C2=CN3C=CS(=O)(=O)N[C@H]3C=C2)cc1 ZINC000169691968 FE Annotated Anodyne COc1ccc(CCn2c(/N=N/C(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000169692009 FE Annotated Clean C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[c-]1ccccc1=O ZINC000169692236 FE Annotated Reactive CCC#CC[C@@H](C)[C@@H](O)C#C[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/COCC(=O)O)C[C@H]21 ZINC000169692546 FE Annotated Mild CCC#CC[C@H](C)[C@@H](O)C#C[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/COCC(=O)O)C[C@H]21 ZINC000169692547 FE Annotated Mild CCC#CC[C@@H](C)[C@H](O)C#C[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/COCC(=O)O)C[C@H]21 ZINC000169692548 FE Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/COCC(=O)O)C[C@H]21 ZINC000169692549 FE Annotated Mild Cc1ccc(S(=O)(=O)n2c(O)c3n(c2=O)-c2ccccc2C3)cc1C ZINC000169692731 FE Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](C(=O)/C=C/c2c[nH]c3ccccc23)C1=O ZINC000169693303 FE Annotated Mild CC(C)C[C@@H]1NC(=O)[C@@H]([S@@](=O)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000169693708 FE Annotated Anodyne CC(C)C[C@H]1NC(=O)[C@@H]([S@@](=O)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000169693709 FE Annotated Anodyne CC(C)C[C@H]1NC(=O)[C@H]([S@@](=O)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000169693710 FE Annotated Anodyne CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(S(C)(=O)=O)c3c2)[C@@H]1C#N ZINC000169694580 FE Annotated Reactive CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(S(C)(=O)=O)c3c2)[C@@H]1C#N ZINC000169694581 FE Annotated Reactive CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(S(C)(=O)=O)c3c2)[C@H]1C#N ZINC000169694582 FE Annotated Reactive CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(S(C)(=O)=O)c3c2)[C@H]1C#N ZINC000169694583 FE Annotated Reactive N#CCC(=O)N1CCCC[C@@]12CCN(c1c(Cl)cnc3[nH]ncc13)C2 ZINC000169699030 FE Annotated Mild N#CCC(=O)N1CCCC[C@]12CCN(c1c(Cl)cnc3[nH]ncc13)C2 ZINC000169699031 FE Annotated Mild CC(C)(C)OC(=O)NCCn1cc(C(=O)c2ccc(O)cc2O)ccc1=O ZINC000169699086 FE Annotated Anodyne O=Cc1cc(-c2cccc(C(=O)N3CCOCC3)c2)cc([N+](=O)[O-])c1O ZINC000169699647 FE Annotated Bother CN1CCN(C(=O)c2cccc(-c3cc(C=O)c(O)c([N+](=O)[O-])c3)c2)CC1 ZINC000169699674 FE Annotated Bother COc1cc(-c2ccc(C(=O)N3CCN(C)CC3)s2)cc(C=O)c1O ZINC000169699681 FE Annotated Anodyne CCc1ncnc(N2CCC(C)(OC)CC2)c1C#Cc1ccc(N)nc1 ZINC000169699822 FE Annotated Mild NC(=O)c1cccc2c(N[C@@H](CCO)c3cccc([N+](=O)[O-])c3)ncnc12 ZINC000169700717 FE Annotated Bother NC(=O)c1cccc2c(N[C@H](CCO)c3cccc([N+](=O)[O-])c3)ncnc12 ZINC000169700718 FE Annotated Bother OC[C@@H]1CCCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2c[nH]nc2n1 ZINC000169702555 FE Annotated Anodyne OC[C@H]1CCCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2c[nH]nc2n1 ZINC000169702556 FE Annotated Anodyne NC1=N[C@@]2(c3ccc(F)s3)CN(c3ncc(F)cn3)C[C@H]2CS1 ZINC000169703446 FE Annotated Anodyne OCCNc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1 ZINC000169703793 FE Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@@H](C#N)C3)n2)cc1 ZINC000169706359 FE Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CC[C@@H](C#N)C3)n2)cc1 ZINC000169706360 FE Annotated Mild O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(O)c3)n(-c3ccccc3)n2)CN1 ZINC000169707058 FE Annotated Anodyne CCn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)s2)cn1 ZINC000169708973 FE Annotated Mild CN1CCC(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)s2)CC1 ZINC000169708977 FE Annotated Mild O=C1N=Nc2nc(CNS(=O)(=O)c3ccccc3)nc3cccc1c23 ZINC000169710190 FE Annotated Anodyne NC1=N[C@@]2(c3ccccc3F)CO[C@@H](COc3cnccn3)C[C@H]2CS1 ZINC000169711636 FE Annotated Anodyne NC1=N[C@@]2(c3ccccc3F)CO[C@@H](COc3ncccn3)C[C@H]2CS1 ZINC000169711637 FE Annotated Anodyne Cc1nc2c(s1)CN(c1ncnn3c(C)nc([C@H]4CCOC4)c13)CC2 ZINC000169711654 FE Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4nn(C5CC5)cc4C3)ncnn12 ZINC000169711657 FE Annotated Anodyne CCc1onc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711662 FE Annotated Anodyne CCc1noc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711663 FE Annotated Anodyne CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(CC(C)C)c13)CC2 ZINC000169711680 FE Annotated Anodyne Cc1ccc2c(n1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711704 FE Annotated Anodyne CCc1nn(C)c2c1CN(c1ncnn3c(C)nc([C@H]4CCCO4)c13)CC2 ZINC000169711712 FE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(C(C)C)c4C3)ncnn12 ZINC000169711722 FE Annotated Anodyne Cc1nc(C2CCOCC2)c2c(N3CCc4ncccc4C3)ncnn12 ZINC000169711726 FE Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4c(cnn4C4CC4)C3)ncnn12 ZINC000169711729 FE Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4nn(C(C)C)cc4C3)ncnn12 ZINC000169711731 FE Annotated Anodyne Cc1ccc2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 ZINC000169711770 FE Annotated Anodyne Cc1cc2c(cn1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711792 FE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(C5CC5)c4C3)ncnn12 ZINC000169711807 FE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4noc(C5CC5)c4C3)ncnn12 ZINC000169711808 FE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)oc4C3)ncnn12 ZINC000169711811 FE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nn(C5CC5)cc4C3)ncnn12 ZINC000169711813 FE Annotated Anodyne [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3nc(C#N)ncc3Cl)nn12 ZINC000169711971 FE Annotated Mild Cn1c(NCC(=O)c2ccc(Cl)cc2)nc(-c2ncncc2F)cc1=O ZINC000169711975 FE Annotated Anodyne CS(=O)(=O)c1c(-c2[nH]c(=O)[nH]c2O)cc(Cl)cc1C(F)(F)F ZINC000169712830 FE Annotated Anodyne C/N=C(/NCCNCc1ccc(CN(C(C)C)C(C)C)o1)C(C#N)C#N ZINC000169714633 FE Annotated Mild C[C@@H]1CCCCN1Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 ZINC000169714650 FE Annotated Mild C[C@H]1CCCCN1Cc1ccc(CNCCN2CCN=C2C(C#N)C#N)o1 ZINC000169714651 FE Annotated Mild O=S(=O)(Nc1ncccn1)c1ccc(-c2sc(S)nc2O)cc1 ZINC000169715189 FE Annotated Anodyne C=c1[nH]n(C(=O)c2ccc(Cl)cc2)c(=O)/c1=C/c1ccc(Cl)cc1 ZINC000169715649 FE Annotated Anodyne Cc1c(/C=C/CC(=O)N2CCN(C)CC2)c(O)c2c(O)cccc2c1O ZINC000169716687 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)cc3)c(=O)n12 ZINC000169718521 FE Annotated Mild CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](CC)N2 ZINC000169719743 FE Annotated Anodyne CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)CC[C@@H](C)N2 ZINC000169719745 FE Annotated Anodyne CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](C)N2 ZINC000169719747 FE Annotated Anodyne CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@H](CC)N2 ZINC000169719751 FE Annotated Anodyne CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)[C@H](C)CN2 ZINC000169719753 FE Annotated Anodyne CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)[C@@H](C)CN2 ZINC000169719759 FE Annotated Anodyne [O-][n+]1onc2ccc([CH-]N=[N+]=Cc3ccc(O)c(Br)c3)cc21 ZINC000169720464 FE Annotated Clean N[C@@H](CCCC/N=C/[C@@H]1C(=O)Nc2ccc(Br)cc21)C(=O)O ZINC000169721068 FE Annotated Mild N[C@@H](CCCC/N=C/[C@H]1C(=O)Nc2ccc(Br)cc21)C(=O)O ZINC000169721069 FE Annotated Mild CC(=O)Oc1ccc2c(c1)c1c(O)oc(=O)nc1n2Cc1ccccn1 ZINC000169721494 FE Annotated Anodyne CO[C@H]1C2=[N+]3CCc4c[nH]c5c(O)c6c(c3c45)[C@]13C[C@@H](N6)SC3=CC2=O ZINC000169723192 FE Annotated Mild COC(=O)[C@@H]1C2=Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000169723795 FE Annotated Bother COC(=O)[C@H]1C2=Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000169723796 FE Annotated Bother O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1/C=N/c1cccc(O)c1 ZINC000169724447 FE Annotated Mild O=c1n(CCCCNCc2ccc3ccccc3n2)c(O)c2n1CCC2 ZINC000169725353 FE Annotated Anodyne N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCCCCC2)o1 ZINC000169727027 FE Annotated Mild C=c1[nH]n(-c2ccccc2)c(=O)/c1=C1\C=C(C)N(c2ccccc2)C(=O)O1 ZINC000169727392 FE Annotated Anodyne O=S(=O)(Nc1sc(S)nc1O)c1ccc(-c2ncccn2)cc1 ZINC000169728820 FE Annotated Anodyne Cc1ccccc1[C@@H]1NC(=S)Nc2c1c(=O)nc1sc([N+](=O)[O-])cn21 ZINC000169729546 FE Annotated Bother Cc1ccccc1[C@H]1NC(=S)Nc2c1c(=O)nc1sc([N+](=O)[O-])cn21 ZINC000169729547 FE Annotated Bother Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C ZINC000017020646 FE Annotated Anodyne O=C1C=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]1N2Cc1ccccc1 ZINC000017138768 FE Annotated Mild CC1(C)[C@H]2CC[C@@]13C(=O)[C@@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000017191176 FE Annotated Anodyne CC1(C)[C@@H]2CC[C@]13C(=O)[C@@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000017191181 FE Annotated Anodyne C[C@H]1CCC[C@@]2(O1)O[C@@H]1CC(=O)O[C@@H]1C1=C2C(=O)c2ccccc2C1=O ZINC000017211223 FE Annotated Mild CCN1C(=O)N2[C@H](OC)c3ccccc3[C@@H](Br)[C@@]2(OC)C1=O ZINC000017215615 FE Annotated Reactive CCN1C(=O)N2[C@H](OC)c3ccccc3[C@H](Br)[C@@]2(OC)C1=O ZINC000017215617 FE Annotated Reactive CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)/C2=C/c2ccco2)cc1 ZINC000017217982 FE Annotated Reactive CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)/C2=C/c2ccco2)cc1 ZINC000017217985 FE Annotated Reactive CC(/C=C/c1ncccc1OCCCCCC(=O)O)=N\NC1=NCCN1 ZINC000017218709 FE Annotated Mild Cc1cc(=O)nc(NN2[C@@H](c3c(O)ccc4ccccc34)C(=O)[C@H]2Cl)[nH]1 ZINC000017219016 FE Annotated Reactive COc1ccccc1[C@H]1c2cc3c(cc2O[C@]2(OC)COC(=O)[C@@H]12)OCO3 ZINC000017249909 FE Annotated Anodyne COc1ccccc1[C@@H]1c2cc3c(cc2O[C@]2(OC)COC(=O)[C@@H]12)OCO3 ZINC000017249914 FE Annotated Anodyne O=C1c2ccccc2C(=O)c2c(OC[C@H]3CO3)ccc(OC[C@@H]3CO3)c21 ZINC000017257089 FE Annotated Clean CC(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000017257957 FE Annotated Anodyne CC(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000017257961 FE Annotated Anodyne CC(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000017257965 FE Annotated Anodyne Nc1ncc(/C=N/O)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 ZINC000017258559 FE Annotated Mild COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 ZINC000017353449 FE Annotated Anodyne COC(=O)[C@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 ZINC000017353450 FE Annotated Anodyne Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C ZINC000017424297 FE Annotated Anodyne Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C ZINC000017424301 FE Annotated Anodyne Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C ZINC000017424305 FE Annotated Anodyne O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(B(O)O)ccc1O ZINC000170124800 FE Annotated Reactive C/C(N)=C/C(=O)c1[nH]c(C(=O)O)cc1[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000017730509 FE Annotated Mild C=CC1=CCc2ccccc2[C@@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 ZINC000018068586 FE Annotated Bother C/C(N)=C/C(=O)c1[nH]c(C(=O)O)cc1[C@H]1CCN(Cc2ccccc2)C1=O ZINC000018090133 FE Annotated Mild O=C1Nc2cccc(C3CCNCC3)c2/C1=C/c1[nH]cc2c1CCNC2=O ZINC000018099248 FE Annotated Anodyne COc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCOCC3)=C(O)C2)cc1 ZINC000018114214 FE Annotated Mild CC(=O)ON/C=C1\C(=O)N2C=CC=C(C)C2=N\C1=N\Cc1ccccc1 ZINC000018152398 FE Annotated Mild C=CC1=CCc2ccccc2[C@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 ZINC000018167900 FE Annotated Bother C[C@@H](C(=O)/N=c1/sc2ccccc2n1C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000018205948 FE Annotated Anodyne CC(=O)Nc1ccc2nc(CN3CCC[C@@H](N4CCOCC4)C3)ccc2c1 ZINC000019221120 FE Annotated Anodyne CC(=O)Nc1ccc2nc(CN3CCC[C@H](N4CCOCC4)C3)ccc2c1 ZINC000019221124 FE Annotated Anodyne N#CC1(C#N)N[C@@H](c2cccs2)C(C#N)(C#N)N[C@H]1c1cccs1 ZINC000019365554 FE Annotated Mild N#CC1(C#N)N[C@H](c2cccs2)C(C#N)(C#N)N[C@@H]1c1cccs1 ZINC000019365556 FE Annotated Mild N#CC1(C#N)N[C@@H](c2ccsc2)C(C#N)(C#N)N[C@H]1c1ccsc1 ZINC000019365557 FE Annotated Mild N#CC1(C#N)N[C@H](c2ccsc2)C(C#N)(C#N)N[C@@H]1c1ccsc1 ZINC000019365559 FE Annotated Mild CC(C)[C@H](c1nnnn1C(C)(C)C)N1CCN(Cc2cccnc2)CC1 ZINC000019445947 FE Annotated Anodyne CC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCN(Cc2cccnc2)CC1 ZINC000019445949 FE Annotated Anodyne CN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1 ZINC000019589877 FE Annotated Anodyne CN1CCN([C@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1 ZINC000019589878 FE Annotated Anodyne CCc1c(-c2nc(-c3c(C)ncc4c3CCNC4)no2)c(=O)cc(C)n1C ZINC000019608330 FE Annotated Anodyne Cn1c(=O)n(C)c2cc(CNC(=O)c3ccc([C@@H]4CCCN4)s3)ccc21 ZINC000019730958 FE Annotated Anodyne Cn1c(=O)n(C)c2cc(CNC(=O)c3ccc([C@H]4CCCN4)s3)ccc21 ZINC000019730960 FE Annotated Anodyne Cc1ncc2c(c1-c1noc(CSCCN3CCCC3)n1)CCNC2 ZINC000019731318 FE Annotated Anodyne OCC[C@H]1CN(C2CSCCSC2)CCN1Cc1ccccc1 ZINC000019739849 FE Annotated Anodyne COc1ccc(CN2CCN(Cc3cc[nH]n3)C[C@@H]2CCO)c(C)c1C ZINC000019742107 FE Annotated Anodyne Cc1ccc(CNc2nc(CN3CCN(C=O)CC3)nc3ccccc23)o1 ZINC000019742477 FE Annotated Anodyne Cc1cc(CN2CCC(n3cc(CO)nn3)CC2)c(C)n1-c1cccnc1 ZINC000019782065 FE Annotated Anodyne CC(=O)c1c(C)nn(Cc2nc(-c3c(C)ncc4c3CCNC4)no2)c1C ZINC000019789633 FE Annotated Anodyne CC(C)c1nc(Cn2ncc(N(C)CCc3ccccc3)cc2=O)no1 ZINC000019789835 FE Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3cc4c([nH]c3=O)CCCC4)n1)CCNC2 ZINC000019794698 FE Annotated Anodyne O=C(Cn1ncc(N2CCCCC2)cc1=O)N[C@@H]1CCc2ccccc21 ZINC000019794988 FE Annotated Anodyne O=C(Cn1ncc(N2CCCCC2)cc1=O)N[C@H]1CCc2ccccc21 ZINC000019794989 FE Annotated Anodyne COc1cc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)ncn1 ZINC000019798539 FE Annotated Anodyne CCc1csc(CNC(=O)c2ccc(N[C@H]3CCCCNC3=O)nc2)n1 ZINC000019837753 FE Annotated Anodyne Cn1ncc(N2CCN(Cc3ccc([C@@H]4CCCCO4)s3)CC2)cc1=O ZINC000019851529 FE Annotated Anodyne Cn1ncc(N2CCN(Cc3ccc([C@H]4CCCCO4)s3)CC2)cc1=O ZINC000019851532 FE Annotated Anodyne COc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)o1 ZINC000019852732 FE Annotated Anodyne Cc1ncc2c(c1-c1noc(C[C@@H]3NC(=O)c4ccccc43)n1)CCNC2 ZINC000019885009 FE Annotated Anodyne Cc1ncc2c(c1-c1noc(C[C@H]3NC(=O)c4ccccc43)n1)CCNC2 ZINC000019885011 FE Annotated Anodyne CCOC(=O)N1CCN(C[C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000019901541 FE Annotated Anodyne CCOC(=O)N1CCN(C[C@@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000019901545 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N2C=Cc3cc(C)sc3B2O)c(Cl)c1 ZINC000195047139 FE Annotated Anodyne CCc1cc2c(s1)B(O)N(S(=O)(=O)c1ccccc1Cl)C=C2 ZINC000195063309 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3cc(Cl)c(Cl)cc3B2O)cc1 ZINC000195065454 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3c(Cl)cc(Cl)cc3B2O)cc1 ZINC000195067515 FE Annotated Anodyne CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@@H](O1)[C@]34OO2 ZINC000195105924 FE Annotated Reactive CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@@H](O1)[C@]34OO2 ZINC000195105939 FE Annotated Reactive CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@@H](O1)[C@@]43OO2 ZINC000195105945 FE Annotated Reactive CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@@H](O1)[C@@]43OO2 ZINC000195105962 FE Annotated Reactive C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)[C@@H](C)O)=C\C[C@H]12 ZINC000195115921 FE Annotated Mild O=C1[C@@H]2[C@H](C(=O)N1CCC(=O)n1cnc3ccccc31)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000195122619 FE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1CCC(=O)n1cnc2ccccc21)[C@@H]1C[C@H]31 ZINC000195122632 FE Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 ZINC000195122643 FE Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCC(=O)n1cnc3ccccc31)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 ZINC000195122654 FE Annotated Anodyne O=C(OB(c1ccc(Cl)cc1)c1ccc(Cl)nc1)c1ncccc1O ZINC000195137491 FE Annotated Anodyne CN1C(=O)[C@H]2[C@@H]3O[C@H](C(c4ccc(O)cc4)=C3c3ccc(O)cc3)[C@@H]2C1=O ZINC000195173856 FE Annotated Anodyne O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@H]2C1=O ZINC000195274650 FE Annotated Mild O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@@H]3C=C[C@H](O3)[C@H]2C1=O ZINC000195274665 FE Annotated Mild C=C(C)C[C@H]1N(c2cccc(OC)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@]21O3 ZINC000195307410 FE Annotated Mild O=C(NC1CCCC1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000195309642 FE Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)Nc1cnc2ccccc2c1 ZINC000195331111 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cccc2c1CCCC2 ZINC000195343555 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1cccc2c1CCCC2 ZINC000195343568 FE Annotated Anodyne COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 ZINC000195386627 FE Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 ZINC000195386632 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CC=C(c2ccccc2)CC1 ZINC000195409756 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CC=C(c2ccccc2)CC1 ZINC000195409765 FE Annotated Anodyne COc1ccc([C@@H]2NC3=C(CCCC3)[C@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1 ZINC000195414211 FE Annotated Mild COc1ccc([C@H]2NC3=C(CCCC3)[C@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1 ZINC000195414215 FE Annotated Mild CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1[N+](=O)[O-] ZINC000195438701 FE Annotated Bother CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000195444077 FE Annotated Anodyne CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000195460006 FE Annotated Bother CCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 ZINC000195468008 FE Annotated Anodyne O=C1C=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]1N2Cc1ccccc1 ZINC000195473912 FE Annotated Mild O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C[C@H]2[C@H]1C2(Cl)Cl ZINC000195479052 FE Annotated Anodyne O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@H]2[C@H]2[C@H](C1)C2(Cl)Cl ZINC000195479056 FE Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl ZINC000195480068 FE Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NCCc1ccccc1Cl ZINC000195480071 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@H]3C[C@@H]2[C@@H](Cl)[C@@H]3Cl)cc1 ZINC000195483106 FE Annotated Reactive Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@H]3C[C@H]2[C@@H](Cl)[C@@H]3Cl)cc1 ZINC000195483109 FE Annotated Reactive Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@@H]3C[C@H]2[C@@H](Cl)[C@@H]3Cl)cc1 ZINC000195483113 FE Annotated Reactive CC1(C)[C@@H]2CC[C@@]13C(=O)[C@@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000195489560 FE Annotated Anodyne CC1(C)[C@H]2CC[C@]13C(=O)[C@@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000195489567 FE Annotated Anodyne CC(=N/N=C(C)/C(C)=N/N=C(C)/C(C)=N/N)/C(C)=N/N=C(C)/C(C)=N/N ZINC000195492920 FE Annotated Mild CC[C@@H](C)[C@@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C/[C@@H]3OC(=O)[C@@]1(C)[C@H]32 ZINC000195505867 FE Annotated Mild CC[C@H](C)[C@@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C/[C@@H]3OC(=O)[C@@]1(C)[C@H]32 ZINC000195505870 FE Annotated Mild COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 ZINC000195514288 FE Annotated Anodyne COC(=O)[C@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@@H]43 ZINC000195514290 FE Annotated Anodyne O=C(O)C[C@@H]1OCC=C2C[N+]3([O-])CC[C@]45c6ccccc6N[C@H]4[C@@H]1[C@@H]2C[C@@H]53 ZINC000195514908 FE Annotated Bother O=C(O)C[C@H]1OCC=C2C[N+]3([O-])CC[C@]45c6ccccc6N[C@H]4[C@@H]1[C@@H]2C[C@@H]53 ZINC000195514911 FE Annotated Bother O=C(O)C[C@@H]1OCC=C2C[N+]3([O-])CC[C@@]45c6ccccc6N[C@H]4[C@@H]1[C@@H]2C[C@@H]53 ZINC000195514912 FE Annotated Bother O=C(O)C[C@H]1OCC=C2C[N+]3([O-])CC[C@@]45c6ccccc6N[C@H]4[C@@H]1[C@@H]2C[C@@H]53 ZINC000195514914 FE Annotated Bother O=C(CN1C(=O)c2ccccc2C1=O)OC[C@@H]1CCCN2CCCC[C@@H]12 ZINC000195515397 FE Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)OC[C@H]1CCCN2CCCC[C@@H]12 ZINC000195515399 FE Annotated Anodyne c1ccc([Sn-](c2ccccc2)c2ccccc2)cc1 ZINC000195803421 FE Annotated Anodyne in-vitro C=C(C(=O)O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)OC[C@]21C(=O)C[C@H]2OC[C@@H]1C2(C)C ZINC000195894274 FE Annotated Mild C[C@@H](C(=O)O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)OC[C@]21C(=O)C[C@H]2OC[C@@H]1C2(C)C ZINC000196025615 FE Annotated Anodyne C[C@@]12C[C@@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 ZINC000196486219 FE Annotated Anodyne C[C@H](O)[C@@H]1CO[C@@H](O)[C@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2N1C ZINC000196754862 FE Annotated Anodyne Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCN(C)C)=[N+]1[B-]2(F)F ZINC000196857605 FE Annotated Anodyne in-vitro C=C1CC[C@@H]2CC[C@]34O[C@@]3(C2(C)C)[C@@](O)(C/C(C)=C/[C@@H](O)C1)O[C@@H]4O ZINC000197347159 FE Annotated Mild CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000197359161 FE Annotated Mild C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)[C@@H]1C=CC[C@]23O ZINC000197364173 FE Annotated Anodyne C[C@]12[C@@H]3C[C@]4(C)O[C@H](C5=C[C@H](O)OC5=O)C[C@]4(C)[C@@H]1CCC[C@H]2C(=O)O3 ZINC000197396041 FE Annotated Anodyne C[C@]12[C@@H]3C[C@]4(C)O[C@H](C5=CC(=O)O[C@@H]5O)C[C@]4(C)[C@@H]1CCC[C@H]2C(=O)O3 ZINC000197396068 FE Annotated Anodyne C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(C)[C@H]1O)[C@]32O ZINC000197843309 FE Annotated Anodyne C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(CO)[C@H]1O)[C@@H]23 ZINC000197843321 FE Annotated Anodyne C[C@@H]1CO[C@H]2C3=C(C(=O)C=CC3=O)[C@H]3OC(=O)[C@@H]4CC[C@H]5[C@H]1CC[C@@]52[C@@H]34 ZINC000197875490 FE Annotated Mild O=C1OCC2=C1[C@H](c1ccccc1)c1cc3c(cc1N2CCO)OCO3 ZINC000198345054 FE Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccccc1)c1cc3c(cc1N2CCO)OCO3 ZINC000198345067 FE Annotated Anodyne O=C1OCC2=C1[C@H](c1ccccc1)c1cc3c(cc1N2CCO)OCCO3 ZINC000198347818 FE Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccccc1)c1cc3c(cc1N2CCO)OCCO3 ZINC000198347828 FE Annotated Anodyne O=C1C=CC[C@H](/C=C/C[C@H]2C[C@@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 ZINC000198360167 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@H](C)[C@@]12C ZINC000198487376 FE Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C[C@H]12)C[C@H](CO)O4 ZINC000198494559 FE Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)O[C@@H](CO)C3 ZINC000198494579 FE Annotated Mild CC[C@H]1C[C@H](/C=C\CC(C(=O)OC)C(=O)OC)O[P@](=O)(OC)O1 ZINC000198501213 FE Annotated Anodyne CC[C@H]1C[C@H](/C=C/CC(C(=O)OC)C(=O)OC)O[P@](=O)(OC)O1 ZINC000198501230 FE Annotated Anodyne CC[C@H]1C[C@H](/C=C\CC(C(=O)OC)C(=O)OC)O[P@@](=O)(OC)O1 ZINC000198501244 FE Annotated Anodyne CC[C@H]1C[C@H](/C=C/CC(C(=O)OC)C(=O)OC)O[P@@](=O)(OC)O1 ZINC000198501262 FE Annotated Anodyne COc1cc2c(cc1OC(C)=O)C(=O)O[C@@H]1CC=C3CC[N+](C)([O-])[C@H]3[C@H]21 ZINC000198639500 FE Annotated Bother Cn1c(O[C@@H]2CCCN(c3ccccc3)C2)nc(-c2ccncn2)cc1=O ZINC000198757544 FE Annotated Anodyne Cn1c(O[C@H]2CCCN(c3ccccc3)C2)nc(-c2ccncn2)cc1=O ZINC000198757563 FE Annotated Anodyne COCc1cn(CC(=O)c2sc(NC(=O)C(C)(C)C)nc2C)nn1 ZINC000199204935 FE Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 ZINC000199207886 FE Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 ZINC000199207902 FE Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 ZINC000199208183 FE Annotated Anodyne CC(C)(C)NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 ZINC000199208200 FE Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CSC[C@@]2(C)C(=O)NC(C)C)c1 ZINC000199230960 FE Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CSC[C@]2(C)C(=O)NC(C)C)c1 ZINC000199230979 FE Annotated Anodyne CC(C)CN1C(=O)CSC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199231486 FE Annotated Anodyne CC(C)CN1C(=O)CSC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199231504 FE Annotated Anodyne COCCN1C(=O)CC[C@]1(C)c1nnnn1-c1ccc2ccccc2c1 ZINC000199242824 FE Annotated Anodyne COCCN1C(=O)CC[C@@]1(C)c1nnnn1-c1ccc2ccccc2c1 ZINC000199242842 FE Annotated Anodyne CC(C)[C@@H](C(=O)NC1CCCC1)N1CCN(c2ncccc2C#N)CC1 ZINC000199247900 FE Annotated Mild CC(C)[C@H](C(=O)NC1CCCC1)N1CCN(c2ncccc2C#N)CC1 ZINC000199247911 FE Annotated Mild CC(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCc1cccs1 ZINC000199248249 FE Annotated Anodyne CC(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCc1cccs1 ZINC000199248263 FE Annotated Anodyne CC(C)N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCc1ccccc1 ZINC000199248309 FE Annotated Anodyne CC(C)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCc1ccccc1 ZINC000199248320 FE Annotated Anodyne O=C(NCC(F)(F)F)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 ZINC000199248745 FE Annotated Anodyne O=C(NCC(F)(F)F)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCC1 ZINC000199248758 FE Annotated Anodyne C=C1C[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)CO[C@H](O)[C@@H]12 ZINC000199305973 FE Annotated Mild CC(=O)O[C@@H](C)CCC[C@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)/C=C/CC[C@@H]1O ZINC000199307514 FE Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=C[C@]4(C1)[C@H](C)OO[C@@]234 ZINC000199478098 FE Annotated Reactive O=Cc1c(O)ccc2[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3)nc12 ZINC000199613589 FE Annotated Anodyne COc1cc(C(=O)N[C@H]2CCCCN(C(C)C)C2=O)cc(OC)c1OC ZINC000199718574 FE Annotated Anodyne COc1cc(C(=O)N[C@@H]2CCCCN(C(C)C)C2=O)cc(OC)c1OC ZINC000199718600 FE Annotated Anodyne CC(C)S(=O)(=O)N1Cc2ccc(Br)cc2-n2nncc2C1 ZINC000199735999 FE Annotated Anodyne CS(=O)(=O)Cc1cc(O)c(O)c(Br)c1Br ZINC000199773702 FE Annotated Clean C[C@@H]1C[C@H]2O[C@H](O)[C@H]3CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO ZINC000199928930 FE Annotated Anodyne CCCCOc1ccc2c(c1)[C@@H](N(C)S(C)(=O)=O)[C@H](O)C(C)(C)O2 ZINC000002007046 FE Annotated Anodyne CCCCOc1ccc2c(c1)[C@H](N(C)S(C)(=O)=O)[C@@H](O)C(C)(C)O2 ZINC000002007059 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CCCN4C(=O)C[C@]5(c6ccccc6N[C@]15CC2)[C@H]43 ZINC000002123690 FE Annotated Anodyne COc1cc(/C=N\n2c(S)nnc2-c2[nH]nc3c2CCC3)ccc1O ZINC000002449648 FE Annotated Mild CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC3)c21 ZINC000002456169 FE Annotated Anodyne CCCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000002458820 FE Annotated Anodyne CCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 ZINC000002459235 FE Annotated Anodyne O=C(NC1CCCC1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000002460796 FE Annotated Anodyne O=C(CCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)cc1F ZINC000002460830 FE Annotated Anodyne O=C(CS(=O)(=O)c1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 ZINC000002461671 FE Annotated Anodyne O=C(CCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccc(F)c(F)c1 ZINC000002461874 FE Annotated Anodyne CC1(C)CC(=O)c2cc(OCC(=O)NCCCN3CCCC3)ccc2O1 ZINC000002464930 FE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCCN2CCCC2)cc1 ZINC000002465000 FE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCCN2CCCC2)cc1 ZINC000002465002 FE Annotated Anodyne CCCCN(C)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000002465464 FE Annotated Anodyne CC(C)Cn1cc(C(=O)NCCN(C)C)c2c3ccccc3n(C)c2c1=O ZINC000002466231 FE Annotated Anodyne CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002466613 FE Annotated Anodyne CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002466615 FE Annotated Anodyne CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466616 FE Annotated Anodyne CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466617 FE Annotated Anodyne O=C(Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21)NCc1ccco1 ZINC000002467777 FE Annotated Anodyne O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21)c1ccccc1 ZINC000002467848 FE Annotated Anodyne O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)c1ccccc1 ZINC000002467850 FE Annotated Anodyne CCCCOC(=O)C1=C(C)O[C@@]23OC(N)=C(C#N)[C@@]12C(=O)c1ccccc13 ZINC000002474569 FE Annotated Reactive O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000002480316 FE Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCOCCO)cc1 ZINC000002480988 FE Annotated Anodyne O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000002483241 FE Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCOCCO ZINC000002483901 FE Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC(C)(C)O2 ZINC000002487194 FE Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC(C)(C)O2 ZINC000002487196 FE Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC(C)(C)O2 ZINC000002487198 FE Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC(C)(C)O2 ZINC000002487200 FE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000002487868 FE Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491917 FE Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491918 FE Annotated Anodyne COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002491975 FE Annotated Anodyne COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002491978 FE Annotated Anodyne N#CCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000002493033 FE Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000002493035 FE Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000002493037 FE Annotated Mild N#CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000002493039 FE Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000002493272 FE Annotated Anodyne N#C[C@@H](c1nc2ccccc2nc1OCCO)S(=O)(=O)c1ccccc1 ZINC000002496441 FE Annotated Mild N#C[C@H](c1nc2ccccc2nc1OCCO)S(=O)(=O)c1ccccc1 ZINC000002496443 FE Annotated Mild CCOC(=O)Cc1nc2nc(N3C[C@H](CC)CC[C@H]3C)ccc2[nH]c1=O ZINC000002497956 FE Annotated Anodyne CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000002499789 FE Annotated Anodyne Cc1cc(-n2nc(C)c(/C=N/CC(=O)O)c2O)ccc1Br ZINC000020036797 FE Annotated Mild Fc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1 ZINC000020098331 FE Annotated Anodyne C[C@@H]1CC(C)(C)NC(=S)N1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000020107456 FE Annotated Anodyne C[C@H]1CC(C)(C)NC(=S)N1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000020107458 FE Annotated Anodyne CN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000020115928 FE Annotated Anodyne CN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000020115930 FE Annotated Anodyne CN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000020115932 FE Annotated Anodyne CN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000020115934 FE Annotated Anodyne COCCC[C@@H]1CCCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)C1 ZINC000020118970 FE Annotated Anodyne COCCC[C@H]1CCCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)C1 ZINC000020118972 FE Annotated Anodyne C[C@@H](O)c1cn(C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nn1 ZINC000020138457 FE Annotated Anodyne C[C@H](O)c1cn(C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nn1 ZINC000020138460 FE Annotated Anodyne O=C(c1ccco1)N1CCN(Cc2nnc(-c3ccccc3F)o2)CC1 ZINC000020177864 FE Annotated Anodyne Cc1nn(CCO)cc1CN1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000020201450 FE Annotated Anodyne O=C(CN1CC2(CCCC2)CC1=O)N1CCC(O)(c2ccccc2)CC1 ZINC000020201889 FE Annotated Anodyne CN1CCC(N2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)CC1 ZINC000020202607 FE Annotated Anodyne CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CC3CCOCC3)CC2)[C@H]1O ZINC000020211441 FE Annotated Anodyne OCc1cn(C[C@@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)nn1 ZINC000020255838 FE Annotated Anodyne OCc1cn(C[C@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)nn1 ZINC000020255840 FE Annotated Anodyne C[C@@H](Cc1ccsc1)NC(=O)Cn1ncc(N2CCCCC2)cc1=O ZINC000020295209 FE Annotated Anodyne C[C@H](Cc1ccsc1)NC(=O)Cn1ncc(N2CCCCC2)cc1=O ZINC000020295212 FE Annotated Anodyne Cn1ccnc1C(=O)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1 ZINC000020351307 FE Annotated Anodyne Cc1cc(CC(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)on1 ZINC000020351710 FE Annotated Anodyne O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCc1ccccn1 ZINC000020416488 FE Annotated Anodyne O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCCC1 ZINC000020418779 FE Annotated Anodyne CCC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020437985 FE Annotated Anodyne CCC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020437988 FE Annotated Anodyne CCC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020437991 FE Annotated Anodyne O=C(Cn1cccn1)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1 ZINC000020450319 FE Annotated Anodyne CC(=O)N1CCOc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21 ZINC000020488145 FE Annotated Anodyne COC(=O)CCCn1c(C)cc2cc(=O)cc3c-2c1C(=O)[C@@](C)(OC)O3 ZINC000200021448 FE Annotated Anodyne C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000200260503 FE Annotated Anodyne C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000200260533 FE Annotated Anodyne O=C(CCn1nnc2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000201447361 FE Annotated Anodyne Cc1ccc(NC(=O)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1C ZINC000201455211 FE Annotated Reactive CC(C)CC(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000201464839 FE Annotated Anodyne CC(C)CC(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000201464877 FE Annotated Anodyne C=CCCC(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000201465084 FE Annotated Mild C=CCCC(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000201465118 FE Annotated Mild CC(C)[C@@H]1NC(=O)[C@H]2C[C@@]3(c4ccccc4)c4ccccc4N[C@H]3N2C1=O ZINC000201482043 FE Annotated Anodyne OB(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000201556863 FE Annotated Reactive N#Cc1ccc(-c2cccc(S(=O)(=O)N3CC[C@H](N4CCC4)C3)n2)cc1 ZINC000201744983 FE Annotated Mild N#Cc1ccc(-c2cccc(S(=O)(=O)N3CC[C@@H](N4CCC4)C3)n2)cc1 ZINC000201745009 FE Annotated Mild C[C@@H]1C[N+]2([O-])C[C@H]3CCC(=O)C4=C(CCO)CC[C@@]45C(=O)[C@@H]1C[C@@H]2[C@@]35C ZINC000202304850 FE Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(OCC(=O)O)ccc12 ZINC000202394464 FE Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(OCC(=O)O)cc12 ZINC000202402386 FE Annotated Mild O=C(OCc1cn(Cc2ccccc2C(F)(F)F)nn1)N1CCOCC1 ZINC000203463064 FE Annotated Anodyne O=C(OCc1cn(Cc2cccc(C(F)(F)F)c2)nn1)N1CCOCC1 ZINC000203463070 FE Annotated Anodyne C#CCNC(=O)C[C@@H]1C(=O)N(CC=C)C2=CCCCCC[C@]21C(=O)OCC ZINC000203464734 FE Annotated Mild CCCCCn1nnnc1[C@]1(C)Cn2nccc2C(=O)N1Cc1ccco1 ZINC000203465713 FE Annotated Anodyne CCCCCn1nnnc1[C@@]1(C)Cn2nccc2C(=O)N1Cc1ccco1 ZINC000203465719 FE Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)N2CCCC2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466617 FE Annotated Mild CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCCC1 ZINC000203468923 FE Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCCC1 ZINC000203469083 FE Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)N2CCCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469323 FE Annotated Mild COC(=O)[C@H]1C[C@@]2(C)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1 ZINC000203471042 FE Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000203472452 FE Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000203473422 FE Annotated Anodyne C=C1[C@H](O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O ZINC000203473426 FE Annotated Mild CCOC(=O)C1=NO[C@](C(=O)Nc2cc(C)cc(C)c2)(C(=O)C2CC2)C1 ZINC000203474055 FE Annotated Anodyne CCOC(=O)C1=NO[C@@](C(=O)Nc2cc(C)cc(C)c2)(C(=O)C2CC2)C1 ZINC000203474060 FE Annotated Anodyne CC(=O)[C@]1(C(=O)N2CCOCC2)CC(c2ccccc2C(F)(F)F)=NO1 ZINC000203474298 FE Annotated Anodyne CC(=O)[C@@]1(C(=O)N2CCOCC2)CC(c2ccccc2C(F)(F)F)=NO1 ZINC000203474302 FE Annotated Anodyne O=C(CCCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccn1 ZINC000203474869 FE Annotated Anodyne O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccn1 ZINC000203474874 FE Annotated Anodyne Cc1cc(C)nc(N2CCC(C(=O)N(C)CCc3ccccn3)CC2)n1 ZINC000203475245 FE Annotated Anodyne CC[C@H](O)/C(C)=C/[C@@H](O)CCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1 ZINC000203525554 FE Annotated Reactive COC(=O)C[C@@H]1OO[C@@](CCC[C@]2(O)C=C(C)[C@H](C)O2)(OC)C[C@@H]1C ZINC000203525569 FE Annotated Reactive C[C@@H](O)[C@@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F ZINC000204409506 FE Annotated Anodyne COC(=O)c1cncc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)c1 ZINC000204937565 FE Annotated Mild N#Cc1ncc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1F ZINC000204947112 FE Annotated Mild O=C1O/C(=C(\C(=O)O)c2ccc(O)cc2)C(O)=C1c1ccc(O)c(O)c1 ZINC000204965162 FE Annotated Clean O=C(CCN1C(=O)c2ccccc2Sc2ncccc21)N1CCOCC1 ZINC000020512061 FE Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@H](C)c1ccccc1 ZINC000020531787 FE Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@@H](C)c1ccccc1 ZINC000020531788 FE Annotated Anodyne CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC(C)C ZINC000020531879 FE Annotated Anodyne NCC1CCN(c2cnn(CCCOCc3ccccc3)c(=O)c2)CC1 ZINC000020536735 FE Annotated Anodyne CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CN3CCCC3)CC2)[C@H]1O ZINC000020538112 FE Annotated Anodyne Cc1ncc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)s1 ZINC000020539204 FE Annotated Anodyne CCc1csc(CNC(=O)c2ccc(N(C)Cc3nnc(C)o3)nc2)n1 ZINC000020543165 FE Annotated Anodyne O=C1NC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)N=C1c1ccccc1 ZINC000020556385 FE Annotated Anodyne CCCn1c2ccccc2c2cnn(CC(=O)NC[C@@H]3CCCO3)c(=O)c21 ZINC000020557127 FE Annotated Anodyne CCCn1c2ccccc2c2cnn(CC(=O)NC[C@H]3CCCO3)c(=O)c21 ZINC000020557129 FE Annotated Anodyne O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCn2c1nc1ccccc12 ZINC000020558996 FE Annotated Anodyne O=c1ccc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)s2)n[nH]1 ZINC000020574745 FE Annotated Anodyne COCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020580954 FE Annotated Anodyne O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCOCC1 ZINC000020581070 FE Annotated Anodyne Cc1nonc1C(=O)N1CCc2[nH]nc(COCc3ccccc3)c2C1 ZINC000020598932 FE Annotated Anodyne O[C@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1N1CCOCC1 ZINC000020599159 FE Annotated Anodyne O=S(=O)(N1CCCC1)N1CCc2[nH]nc(/C=C/c3ccccc3)c2C1 ZINC000020599483 FE Annotated Anodyne CC(C)n1cc(NC(=O)Cn2ccc(-c3ccc4c(c3)OCO4)n2)nn1 ZINC000020600317 FE Annotated Anodyne Cc1n[nH]c(C)c1CCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000020600940 FE Annotated Anodyne CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 ZINC000020687791 FE Annotated Anodyne O=C(NC1CCCC1)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2 ZINC000020724156 FE Annotated Anodyne O=C(NC1CCCC1)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2 ZINC000020724160 FE Annotated Anodyne CCc1csc(CNC(=O)c2ccc(NCc3ccncn3)nc2)n1 ZINC000020774915 FE Annotated Anodyne CCCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cn[nH]c3)CC2)[C@H]1O ZINC000020777829 FE Annotated Anodyne COCCN1CCN(C(=O)c2cc(COc3cc(C)ccc3C)on2)CC1 ZINC000020785336 FE Annotated Anodyne CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)C3CCOCC3)CC2)[C@H]1O ZINC000020821428 FE Annotated Anodyne CN1C[C@@]2(C)CN([C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)C[C@@](C)(C1)C2 ZINC000020862251 FE Annotated Anodyne COCCN1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1=O ZINC000020866143 FE Annotated Anodyne COCCN1CCC[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1=O ZINC000020866147 FE Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3ccnn3C)n1)CCN(c1cnccn1)C2 ZINC000020906979 FE Annotated Anodyne O=C(c1ccncc1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O ZINC000020907796 FE Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)c1noc2ncnc(N3CCCC3)c12 ZINC000020993716 FE Annotated Anodyne CC(C)=CCN1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@@H]1CCO ZINC000020995256 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000020997880 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CCOCC3)C2)cc1Cl ZINC000020997882 FE Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CCC1=C(C(=O)OC1)[C@@H](O)/C=C\[C@@H]32 ZINC000205031702 FE Annotated Anodyne COC(=O)[C@@H]1CC[C@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000205054080 FE Annotated Mild COC(=O)[C@H]1CC[C@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000205054101 FE Annotated Mild Cn1c(-c2ncc(Cc3c[nH]c(N)[n+]3C)o2)cc(Br)c1Cl ZINC000205206238 FE Annotated Anodyne CC(C)NC(=O)c1nnc2n1CCN(C(=O)c1ccc3sccc3c1)C2 ZINC000205218159 FE Annotated Anodyne O[C@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1 ZINC000205224993 FE Annotated Anodyne O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1 ZINC000205225017 FE Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 ZINC000205229221 FE Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 ZINC000205229236 FE Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1 ZINC000205229248 FE Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1 ZINC000205229263 FE Annotated Anodyne Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=CC=C[C@@H]5N4)c3N)cc2[nH]1 ZINC000205252126 FE Annotated Mild Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=CC=C[C@@H]5N4)c3N)cc2[nH]1 ZINC000205252138 FE Annotated Mild Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=CC=C[C@H]5N4)c3N)cc2[nH]1 ZINC000205252154 FE Annotated Mild Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=CC=C[C@H]5N4)c3N)cc2[nH]1 ZINC000205252170 FE Annotated Mild CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2C(=O)CC[C@H](C)[C@]21C ZINC000205257923 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=C[C@]2(O)C(=O)CC[C@H](C)[C@@]12C ZINC000205258044 FE Annotated Anodyne C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@@](CO)(C(=O)OC)[C@H]1C[C@H]24 ZINC000205357954 FE Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cl)cc21 ZINC000205477220 FE Annotated Anodyne COc1cc([C@@H]2CC(=O)C[C@H]([C@@H](O)Cc3ccc(O)cc3)O2)ccc1O ZINC000205499156 FE Annotated Anodyne O=C(NCc1ccc(F)cc1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O ZINC000205681166 FE Annotated Anodyne O=C(NCc1ccccc1F)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O ZINC000205693888 FE Annotated Anodyne O=C(NCc1ccc(F)cc1)c1[nH]c(-c2ccccc2F)nc(=O)c1O ZINC000205693932 FE Annotated Anodyne COc1cc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(N)=O)ccc1O ZINC000205704079 FE Annotated Anodyne C[C@H]1[C@@H](OC(=O)N2CCOCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205711950 FE Annotated Anodyne COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(OC)ccc(OC)c32)cc1 ZINC000205722996 FE Annotated Anodyne COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(OC)ccc(OC)c32)cc1 ZINC000205723014 FE Annotated Anodyne C=C1[C@H]2C[C@H](OC(C)=O)[C@@]3(CCl)O[C@@H]1O[C@@H](OC(=O)CC(C)C)[C@@H]23 ZINC000205739509 FE Annotated Reactive CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C1CC1 ZINC000205784584 FE Annotated Mild CN(C)[C@@H]1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 ZINC000205787346 FE Annotated Mild CN(C)[C@H]1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 ZINC000205787364 FE Annotated Mild CC1([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)CC1 ZINC000205800251 FE Annotated Mild CC1([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)CC1 ZINC000205800264 FE Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)CF ZINC000205806630 FE Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)CF ZINC000205806649 FE Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)CF ZINC000205812305 FE Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)CF ZINC000205812323 FE Annotated Mild N#Cc1n[nH]c2c1CN([C@H]1CS[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000205836261 FE Annotated Mild COc1cc(O)c2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C(N)=O ZINC000205840295 FE Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000206016408 FE Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000206016429 FE Annotated Anodyne COCCCNC(=O)[C@@H](C)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O ZINC000206018633 FE Annotated Anodyne COC(=O)[C@@]1(C#N)CC(=O)N([C@@H](CO)c2ccccc2)[C@H]1c1ccccc1 ZINC000206021359 FE Annotated Mild CCOC(=O)N1C(=O)C[C@@H](C(=O)N2CCCC2)[C@H]1c1ccc(OC)cc1 ZINC000206024445 FE Annotated Anodyne CCOC(=O)N1C(=O)C[C@H](C(=O)N2CCCC2)[C@H]1c1ccc(OC)cc1 ZINC000206024460 FE Annotated Anodyne C[C@]12Nc3ccccc3C(=O)N1Cc1cnnn1-c1cc3c(cc12)OCO3 ZINC000206036924 FE Annotated Anodyne C[C@@]12Nc3ccccc3C(=O)N1Cc1cnnn1-c1cc3c(cc12)OCO3 ZINC000206036950 FE Annotated Anodyne CCCNC(=O)c1nnc2n1CCN(C(=O)c1ccc3sccc3c1)C2 ZINC000206049122 FE Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H]1C(=O)NC(=S)N1c1ccccc1 ZINC000206054315 FE Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H]1C(=O)NC(=S)N1c1ccccc1 ZINC000206054345 FE Annotated Anodyne Cn1nc2c(c1B1OC(C)(C)C(C)(C)O1)CN(C(=O)OC(C)(C)C)CC2 ZINC000206064113 FE Annotated Mild CC1(C)OB(c2cccc(NS(=O)(=O)c3ccccc3)n2)OC1(C)C ZINC000206169308 FE Annotated Mild CC1(C)OB(c2ccnc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C ZINC000206169342 FE Annotated Mild CC1(C)OB(c2cccnc2NS(=O)(=O)c2ccccc2)OC1(C)C ZINC000206169376 FE Annotated Mild CC1(C)OB(c2cc(NS(=O)(=O)c3ccccc3)ccn2)OC1(C)C ZINC000206169413 FE Annotated Mild CC1(C)OB(c2ccncc2NS(=O)(=O)c2ccccc2)OC1(C)C ZINC000206169453 FE Annotated Mild CC1(C)OB(c2ccc(NS(=O)(=O)c3ccccc3)cn2)OC1(C)C ZINC000206169480 FE Annotated Mild CC1(C)OB(c2cnccc2NS(=O)(=O)c2ccccc2)OC1(C)C ZINC000206169512 FE Annotated Mild Cc1ccc(S(=O)(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1 ZINC000206169848 FE Annotated Mild Cc1ccc(S(=O)(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 ZINC000206169891 FE Annotated Mild Cc1ccc(S(=O)(=O)Nc2ncccc2B2OC(C)(C)C(C)(C)O2)cc1 ZINC000206169974 FE Annotated Mild Cc1ccc(S(=O)(=O)Nc2ccncc2B2OC(C)(C)C(C)(C)O2)cc1 ZINC000206170098 FE Annotated Mild Cc1ccc(S(=O)(=O)Nc2cnccc2B2OC(C)(C)C(C)(C)O2)cc1 ZINC000206170135 FE Annotated Mild CC1(C)OB(c2cnc(-n3cccn3)c(Br)c2)OC1(C)C ZINC000206188588 FE Annotated Mild CC1(C)OB(c2cnc(-n3ccnc3)c(Br)c2)OC1(C)C ZINC000206188725 FE Annotated Mild CC1(C)OB(c2cc(C(F)(F)F)cnc2N2CCOCC2)OC1(C)C ZINC000206190340 FE Annotated Mild COc1nc(N(C)Cc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 ZINC000206195256 FE Annotated Mild CNc1nc(N(C)Cc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 ZINC000206196632 FE Annotated Mild CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N1CCOCC1 ZINC000206202182 FE Annotated Mild CC1(C)OB(c2cnc(N3CCOCC3)c(C(F)(F)F)c2)OC1(C)C ZINC000206202851 FE Annotated Mild COc1ncnc(N(C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 ZINC000206203776 FE Annotated Mild Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(O)cc3)C(=O)C[C@@H]12 ZINC000206390862 FE Annotated Anodyne Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(O)cc3)C(=O)C[C@H]12 ZINC000206390897 FE Annotated Anodyne CCN(CC)CCCN1C(=O)C[C@H]2C(=C(N)Oc3ccc(C)cc32)C1=O ZINC000206391334 FE Annotated Anodyne CCN(CC)CCCN1C(=O)C[C@@H]2C(=C(N)Oc3ccc(C)cc32)C1=O ZINC000206391365 FE Annotated Anodyne NC1=C2C(=O)N(CCc3ccc(O)cc3)C(=O)C[C@H]2c2ccccc2O1 ZINC000206391976 FE Annotated Anodyne NC1=C2C(=O)N(CCc3ccc(O)cc3)C(=O)C[C@@H]2c2ccccc2O1 ZINC000206392013 FE Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(F)cc3)C(=O)C[C@@H]12 ZINC000206393296 FE Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(F)cc3)C(=O)C[C@H]12 ZINC000206393332 FE Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3cccs3)C(=O)C[C@@H]12 ZINC000206393709 FE Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3cccs3)C(=O)C[C@H]12 ZINC000206393744 FE Annotated Anodyne Nc1ncnn2c([C@@H]3CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000206408629 FE Annotated Anodyne COc1cc(-c2cc([C@@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000206411055 FE Annotated Anodyne COc1cc(-c2cc([C@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000206411089 FE Annotated Anodyne CCc1cc(-c2cc([C@@H]3CCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000206417382 FE Annotated Anodyne CCc1cc(-c2cc([C@H]3CCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000206417415 FE Annotated Anodyne Cc1cc(-c2cc([C@@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000206419724 FE Annotated Anodyne Cc1cc(-c2cc([C@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000206419759 FE Annotated Anodyne C[C@H]1[C@H](c2ccc3c(c2)OCO3)O[C@@](O)(c2ccc3c(c2)OCO3)[C@]1(C)O ZINC000206832260 FE Annotated Anodyne CC[C@@H]1C(=O)C[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)[C@H]3CCC[C@@H]1[C@@H]32 ZINC000206955068 FE Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1O ZINC000207021287 FE Annotated Anodyne C[C@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000207117456 FE Annotated Anodyne O=C1CC[C@@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)NN1 ZINC000207160026 FE Annotated Anodyne O=C1CC[C@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)NN1 ZINC000207160069 FE Annotated Anodyne 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@]1(O)C(=O)[C@@H]23 ZINC000207656214 FE Annotated Anodyne CC1(C)OB(c2ccc(NS(=O)(=O)c3ccccc3)nc2)OC1(C)C ZINC000208201182 FE Annotated Mild C[C@H]1[C@H](C)C[C@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@@]1(O)[C@H]24)OCO5 ZINC000208249128 FE Annotated Mild COc1ccc([C@@H]2CCN[C@@H]3[C@@H]2C(=O)NC(=O)N3Cc2ccco2)cc1 ZINC000208262943 FE Annotated Anodyne COc1ccc([C@@H]2CCN[C@H]3[C@@H]2C(=O)NC(=O)N3Cc2ccco2)cc1 ZINC000208263007 FE Annotated Anodyne CCN(CCCN1C=CN(C)/C1=C\N=O)S(=O)(=O)c1ccccc1 ZINC000209132643 FE Annotated Anodyne CCCN(CCN1C=CN(C)/C1=C\N=O)S(=O)(=O)c1ccccc1 ZINC000209133775 FE Annotated Anodyne Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl ZINC000209660823 FE Annotated Anodyne CCN(CCN1CCOCC1)c1cn(C23CC4CC(CC(C4)C2)C3)nn1 ZINC000209686693 FE Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(CC)cc3)nc2n1 ZINC000021178290 FE Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3ccc(C(C)C)cc3)nc2n1 ZINC000021178295 FE Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(Cl)cc3)nc2n1 ZINC000021178361 FE Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccccc3Cl)nc2n1 ZINC000021178406 FE Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3cccc(Cl)c3)nc2n1 ZINC000021178471 FE Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3)nn2c1O ZINC000021178516 FE Annotated Anodyne CCOC(=O)Cc1c(C)nc2nc(NCc3ccc(CC)cc3)nn2c1O ZINC000021178539 FE Annotated Anodyne CN1CCN(c2ncc3c(n2)CCN(Cc2ccccc2Cl)C3)CC1 ZINC000021262246 FE Annotated Anodyne CCN1CCN(c2ncc3c(n2)CCN(Cc2ccccc2C)C3)CC1 ZINC000021262357 FE Annotated Anodyne Cc1cc(=O)[nH]c(SCc2cc(=O)n3nc(-c4ccco4)sc3n2)n1 ZINC000021368945 FE Annotated Anodyne COc1cc([C@@H]2Oc3ccc4[nH]cc5c4c3[C@@H]2C(=O)NCC5=O)ccc1O ZINC000210900391 FE Annotated Anodyne COc1cc(O)c2c(c1)OC[C@]1(Cc3c1cc(OC)c(OC)c3O)C2=O ZINC000211223541 FE Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccc(O)cc12 ZINC000211242489 FE Annotated Anodyne O=Cc1c2n(c(=O)c3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3 ZINC000211369188 FE Annotated Anodyne C[C@H](CNC(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O)N(C)c1ccccc1 ZINC000212179680 FE Annotated Anodyne C[C@H](CNC(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O)N(C)c1ccccc1 ZINC000212179806 FE Annotated Anodyne CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@]2(C)CC1=O)O[C@@H](CO)C4 ZINC000212357930 FE Annotated Mild C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1cccs1 ZINC000212565141 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1cccs1 ZINC000212565202 FE Annotated Anodyne COc1ccc(C[C@@H]2C(=O)OC[C@H]2[C@H](O)c2ccc(OC)c(O)c2)cc1O ZINC000212776537 FE Annotated Anodyne O=C(CN1C(=O)NC(=O)[C@H]2CCCC[C@H]21)NCc1nc2ccccc2s1 ZINC000214428611 FE Annotated Anodyne O=C(CN1C(=O)NC(=O)[C@H]2CCCC[C@@H]21)NCc1nc2ccccc2s1 ZINC000214428669 FE Annotated Anodyne O=C(CN1C(=O)NC(=O)[C@@H]2CCCC[C@H]21)NCc1nc2ccccc2s1 ZINC000214428726 FE Annotated Anodyne O=C(CN1C(=O)NC(=O)[C@@H]2CCCC[C@@H]21)NCc1nc2ccccc2s1 ZINC000214428779 FE Annotated Anodyne C=C1[C@H]2CC[C@]3([C@@H](C2)[C@@]24CCC[C@](C)(CN(CCO)C2)[C@H]4C[C@H]3O)[C@@H]1O ZINC000214500018 FE Annotated Mild C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CCC1=C(C(=O)OC1)[C@@H](O)/C=C/[C@@H]32 ZINC000214802744 FE Annotated Anodyne CCN1CCC[C@@H]1CNC1=NS(=O)(=O)C(c2ccc(OC)cc2)=C1C ZINC000021525884 FE Annotated Anodyne CCN1CCC[C@H]1CNC1=NS(=O)(=O)C(c2ccc(OC)cc2)=C1C ZINC000021525885 FE Annotated Anodyne O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NCCC1=CCCCC1 ZINC000021529625 FE Annotated Anodyne CCOC(=O)c1noc2nc(C)n(CCOc3ccc(F)cc3)c(=O)c12 ZINC000021648705 FE Annotated Anodyne O=C(C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)N1CCCC1 ZINC000021871482 FE Annotated Anodyne C[C@H]1CC[C@@H](C)P1c1c(P2[C@@H](C)CC[C@H]2C)c(=O)n(C)n(C)c1=O ZINC000215625393 FE Annotated Anodyne C[C@H]1CC[C@H](C)P1c1c(P2[C@@H](C)CC[C@H]2C)c(=O)n(C)n(C)c1=O ZINC000215625440 FE Annotated Anodyne C[C@H]1CC[C@@H](C)P1c1c(P2[C@H](C)CC[C@H]2C)c(=O)n(C)n(C)c1=O ZINC000215625496 FE Annotated Anodyne C#CCSc1nc(NNC(N)=O)c(C#N)c(-c2cccc(Cl)c2)n1 ZINC000215894965 FE Annotated Reactive C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000215989740 FE Annotated Mild C#CCSc1nc(NNC(N)=O)c(C#N)c(-c2ccc(F)c(F)c2)n1 ZINC000215990087 FE Annotated Reactive C#CCSc1nc(NNC(N)=O)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000215990156 FE Annotated Reactive C[C@H]1CN(c2nc(N3CCOCC3)c3ccc(Cl)nc3n2)C[C@H](C)O1 ZINC000217542914 FE Annotated Anodyne C[C@@H]1CN(c2nc(N3CCOCC3)c3ccc(Cl)nc3n2)C[C@@H](C)O1 ZINC000217542998 FE Annotated Anodyne COC[C@H]1C[C@H]2CSC(N)=N[C@]2(c2cc(C#N)c(F)cc2F)CO1 ZINC000217566056 FE Annotated Mild CC1(C)Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 ZINC000218001653 FE Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 ZINC000218001741 FE Annotated Anodyne N#C[C@H]1CCC2(C[C@H]1n1cc(C(N)=O)c(Nc3ccccc3)n1)OCCO2 ZINC000218555122 FE Annotated Mild N#C[C@H]1CCC2(C[C@@H]1n1cc(C(N)=O)c(Nc3ccccc3)n1)OCCO2 ZINC000218555199 FE Annotated Mild N#C[C@@H]1CCC2(C[C@H]1n1cc(C(N)=O)c(Nc3ccccc3)n1)OCCO2 ZINC000218555281 FE Annotated Mild N#C[C@@H]1CCC2(C[C@@H]1n1cc(C(N)=O)c(Nc3ccccc3)n1)OCCO2 ZINC000218555368 FE Annotated Mild CN1C[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1=O ZINC000218967250 FE Annotated Anodyne C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccccc1Cl ZINC000219121838 FE Annotated Anodyne C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cc(N)ccc1Cl ZINC000219134329 FE Annotated Anodyne N/C(=N\N=C\c1ccc(Cl)cc1N)N/N=C/c1ccc(Cl)cc1N ZINC000219150775 FE Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23CC[C@@H]1[C@@]4(CO)C(=O)OC ZINC000219274213 FE Annotated Anodyne Cc1[nH]ncc1-c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219296967 FE Annotated Mild Cc1[nH]ncc1-c1ccc(C[C@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219296993 FE Annotated Mild Cc1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)n[nH]1 ZINC000219319637 FE Annotated Mild Cc1cc(-c2ccc(C[C@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)n[nH]1 ZINC000219319666 FE Annotated Mild CO/C(=C/C(=O)O)[C@H]1c2cc3cccc(O)c3c(O)c2C(=O)C[C@]1(C)O ZINC000219391638 FE Annotated Anodyne NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCC3)c(F)cc1C1CC2C1 ZINC000219495526 FE Annotated Mild Cn1c(C(N)=O)nc2c1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219502457 FE Annotated Mild CN(C)CCSSCCNC(=O)Nc1ccc(C(=O)O)c(O)c1 ZINC000219708047 FE Annotated Reactive CNC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C ZINC000219866717 FE Annotated Anodyne CNC(=O)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C ZINC000219866767 FE Annotated Anodyne CNC(=O)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)O)C(C)(C)C ZINC000219866810 FE Annotated Anodyne CN1CCN(CCC(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)CC1 ZINC000022036058 FE Annotated Reactive NCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000022445049 FE Annotated Anodyne CN1CCN(Cc2nnc(S)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000022454550 FE Annotated Anodyne c1cc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)ccn1 ZINC000022457896 FE Annotated Anodyne c1cc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)ccn1 ZINC000022457902 FE Annotated Anodyne CCCCCCC1=NOC[C@@]1(C)C(=O)NCCCN1CCN(C)CC1 ZINC000022462943 FE Annotated Anodyne CCCCCCC1=NOC[C@]1(C)C(=O)NCCCN1CCN(C)CC1 ZINC000022462952 FE Annotated Anodyne CC(C)(C)C(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000022472645 FE Annotated Anodyne CCCCC(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000022472647 FE Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1ccccc1-2 ZINC000220209016 FE Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1ccccc1-2 ZINC000220209082 FE Annotated Anodyne Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)n1)[C@@H]2c1ccc(Cl)cc1 ZINC000220381513 FE Annotated Anodyne Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)n1)[C@H]2c1ccc(Cl)cc1 ZINC000220381567 FE Annotated Anodyne NC1=N[C@](CF)(c2cc(-c3cncc(F)c3)c(CO)cc2F)[C@H]2C[C@@H]2O1 ZINC000220656817 FE Annotated Anodyne NC1=N[C@](CF)(c2cc(-c3cncc(F)c3)c(CO)cc2F)[C@H]2C[C@H]2O1 ZINC000220656882 FE Annotated Anodyne O=C(Nc1ccn(S(=O)(=O)c2ccc(Cl)nc2)c1)c1ccccn1 ZINC000220905471 FE Annotated Anodyne COC(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cn1 ZINC000221133670 FE Annotated Mild CNC(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221162654 FE Annotated Mild CNC(=O)c1ccc(Nc2nn([C@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1 ZINC000221162773 FE Annotated Mild C[C@]1(C#N)CC[C@H](O)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000221209347 FE Annotated Mild Cc1nc(-c2cnc(N)nc2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000221282218 FE Annotated Anodyne Cc1nc(-c2cnc(N)nc2)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000221282270 FE Annotated Anodyne CCOc1ccc(B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O)cn1 ZINC000221635647 FE Annotated Mild CCOc1ccc2cc(-c3nn([C@@H](C)CCO)c(N)c3C(N)=O)cnc2c1 ZINC000221712132 FE Annotated Anodyne CCOc1ccc2cc(-c3nn([C@H](C)CCO)c(N)c3C(N)=O)cnc2c1 ZINC000221712192 FE Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H](CO)[C@H]2OC(=O)C(O)=C2O)cc1 ZINC000221742355 FE Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)O[C@H](CO)[C@H]2OC(=O)C(O)=C2O)cc1 ZINC000221742461 FE Annotated Anodyne COC(=O)[C@@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221848029 FE Annotated Mild COC(=O)[C@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221848086 FE Annotated Mild CN[C@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000221849798 FE Annotated Mild CN[C@@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000221849928 FE Annotated Mild CN[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000221883729 FE Annotated Mild CN[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000221884130 FE Annotated Mild CN(CCCCCN(C)c1ccc(C(N)N)cc1)c1ccc(C(N)N)cc1 ZINC000222339467 FE Annotated Clean N#C[C@@H]1C[C@@H](CN)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222970212 FE Annotated Mild N#C[C@@H]1C[C@@H](CN)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222970273 FE Annotated Mild N#C[C@@H]1C[C@H](CN)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222970331 FE Annotated Mild N#C[C@@H]1C[C@H](CN)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222970384 FE Annotated Mild N#C[C@@H]1C[C@@H](CO)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222970727 FE Annotated Mild N#C[C@@H]1C[C@@H](CO)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222970792 FE Annotated Mild N#C[C@@H]1C[C@H](CO)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222970851 FE Annotated Mild N#C[C@@H]1C[C@H](CO)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1 ZINC000222970914 FE Annotated Mild CN[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222973359 FE Annotated Mild CN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222973428 FE Annotated Mild CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)[C@@H](C#N)C1 ZINC000222975038 FE Annotated Mild CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)[C@@H](C#N)C1 ZINC000222975095 FE Annotated Mild Nc1ncnn2c([C@H]3CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000223127432 FE Annotated Anodyne Cn1cc([C@H]2C[C@H]3CSC(N)=N[C@]3(c3cc(C#N)ccc3F)CO2)cn1 ZINC000223177694 FE Annotated Mild NC(=O)CNc1nc(-c2ccncc2)nc2c(Br)csc12 ZINC000223662574 FE Annotated Anodyne C[C@@H](O)CNc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 ZINC000223671437 FE Annotated Anodyne C[C@H](O)C#Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 ZINC000223672187 FE Annotated Mild C[C@H](O)CNc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 ZINC000223678270 FE Annotated Anodyne CNC(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 ZINC000223678708 FE Annotated Anodyne CC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 ZINC000223690693 FE Annotated Anodyne O=C(Nc1cn[nH]c1-c1ccccn1)c1nn(C2CCNCC2)cc1Cl ZINC000223872936 FE Annotated Anodyne in-vitro CN1CCCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)S1(=O)=O ZINC000223902813 FE Annotated Anodyne CC(C)[C@H](C)n1cc(-c2cc(C(C)(C)O)n(C)n2)c2[nH]nc(N)c2c1=O ZINC000224387620 FE Annotated Anodyne in-vitro CN(C)C[C@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224569009 FE Annotated Anodyne CN(C)C[C@@H](O)COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224569056 FE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3CS(N)(=O)=O)cc2F)cn1 ZINC000224668762 FE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(N)(=O)=O)c(F)c2F)cn1 ZINC000224682339 FE Annotated Anodyne CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224728344 FE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CC(O)C3)cc2F)cn1 ZINC000224805067 FE Annotated Anodyne CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1 ZINC000224806571 FE Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CC(O)C3)cc2F)cn1 ZINC000224809108 FE Annotated Anodyne c1cncc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)c1 ZINC000022574774 FE Annotated Anodyne c1cncc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)c1 ZINC000022584620 FE Annotated Anodyne c1cncc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@@H]3C2)c1 ZINC000022584623 FE Annotated Anodyne COc1ccc(-c2[nH]ncc2CNCC(C)(C)N2CCOCC2)cc1F ZINC000022851181 FE Annotated Anodyne c1cncc([C@@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)c1 ZINC000022862951 FE Annotated Anodyne c1cc([C@H](c2nnnn2C2CCCCC2)N2CCN3CCC[C@H]3C2)ccn1 ZINC000022862975 FE Annotated Anodyne CCn1cc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c(C)n1 ZINC000022913412 FE Annotated Anodyne CC(C)N1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1CCO ZINC000022918565 FE Annotated Mild CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3c2CCC3)CC1 ZINC000022931066 FE Annotated Anodyne OCC[C@@H]1CN(C2CSCCSC2)CCN1Cc1ccccc1 ZINC000022932691 FE Annotated Anodyne CCOC(=O)N1CCC(N2CCN(CCC(C)C)[C@@H](CCO)C2)CC1 ZINC000022932735 FE Annotated Anodyne O=C(O)[C@H]1NCCN(Cc2ccc3c(ccc4ccccc43)c2)[C@H]1C(=O)O ZINC000022933604 FE Annotated Bother CC(C)Oc1cc(CN2CCN(CCO)CC2)cc(OC(C)C)c1O ZINC000022934184 FE Annotated Anodyne NCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000022944405 FE Annotated Anodyne NC1=N[C@@](c2cc(NC(=O)[C@H]3CCCO3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226066294 FE Annotated Anodyne CCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000227270148 FE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000227270157 FE Annotated Anodyne CC(C)CCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270782 FE Annotated Anodyne CC(C)CCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270788 FE Annotated Anodyne CCCCN(CCCC)CCN1S(=O)(=O)c2ccccc2S1(=O)=O ZINC000227597098 FE Annotated Anodyne in-vitro CCc1nnc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccncc2)s1 ZINC000023128552 FE Annotated Anodyne CCc1nnc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccncc2)s1 ZINC000023128553 FE Annotated Anodyne CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000023128646 FE Annotated Anodyne CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000023128647 FE Annotated Anodyne O=C(NCc1ccco1)N1CCC(n2cc(-c3ccccn3)nn2)CC1 ZINC000023130408 FE Annotated Anodyne Cc1nc(C2CCN(C(=O)c3c[nH]c(-c4ccccc4)n3)CC2)cc(=O)[nH]1 ZINC000023145712 FE Annotated Anodyne CNCc1cn(C2CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)nn1 ZINC000023146020 FE Annotated Anodyne CCn1nc(CC(C)C)cc1C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000023153310 FE Annotated Anodyne Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)C2)cc(=O)[nH]1 ZINC000023153365 FE Annotated Anodyne Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)C2)cc(=O)[nH]1 ZINC000023153366 FE Annotated Anodyne Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)C2)cc(=O)[nH]1 ZINC000023153367 FE Annotated Anodyne Cc1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)C2)cc(=O)[nH]1 ZINC000023153368 FE Annotated Anodyne Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3cc(=O)[nH]cn3)cc12 ZINC000023153674 FE Annotated Anodyne CCn1cc(NC(=O)Cn2cc(-c3ncnc4scc(C)c34)cn2)nn1 ZINC000023158934 FE Annotated Anodyne CCOc1ccccc1-c1n[nH]c2c1CN(C(=O)c1ccc(=O)[nH]c1)CC2 ZINC000023192150 FE Annotated Anodyne Cc1nc(C2CCN(C(=O)c3coc4c3C(=O)CCC4)CC2)cc(=O)[nH]1 ZINC000023192279 FE Annotated Anodyne CCn1cnnc1CCNC(=O)Nc1nnc(Cc2cccc(C)c2)s1 ZINC000023192790 FE Annotated Anodyne Cc1nc(C2CCN(c3nc(N(C)C)nc4c3CCCC4)CC2)cc(=O)[nH]1 ZINC000023214101 FE Annotated Anodyne CCSc1nc(CC(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)cs1 ZINC000023214273 FE Annotated Anodyne CCN(C)[C@@H]1c2ccccc2C2(CCN(c3nccc(OC)n3)CC2)[C@H]1O ZINC000023214625 FE Annotated Anodyne Cc1ncc2c(c1-c1noc(CC3CCCCC3)n1)CCN(C(=O)CN)C2 ZINC000023231752 FE Annotated Anodyne O=C(c1cn[nH]c1)N1CCC[C@@H](Cn2cc(Cc3ccccc3)nn2)C1 ZINC000023251007 FE Annotated Anodyne O=C(c1cn[nH]c1)N1CCC[C@H](Cn2cc(Cc3ccccc3)nn2)C1 ZINC000023251010 FE Annotated Anodyne Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(=O)[nH]1 ZINC000023251013 FE Annotated Anodyne Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc(=O)[nH]1 ZINC000023251016 FE Annotated Anodyne Cc1cnc(N2CCC(O)(c3cccnc3)CC2)nc1-c1cnn(C)c1 ZINC000023251149 FE Annotated Anodyne Cc1cc(N2CCC(n3cc(CN4CCSCC4)nn3)CC2)ccn1 ZINC000023310813 FE Annotated Anodyne Cc1cccn2c(CNCCc3ccco3)c(C(=O)N3CCOCC3)nc12 ZINC000023337442 FE Annotated Anodyne Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)C2)cc(=O)[nH]1 ZINC000023337860 FE Annotated Anodyne Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)C2)cc(=O)[nH]1 ZINC000023337861 FE Annotated Anodyne O=C(NCc1cc(=O)[nH]cn1)c1ccc(CSc2ccccn2)cc1 ZINC000023367915 FE Annotated Anodyne Cn1c2ccccc2c2cc(CC(=O)NCCc3cc(=O)[nH]cn3)ccc21 ZINC000023369158 FE Annotated Anodyne Cn1cc(CC(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c2ccccc21 ZINC000023379720 FE Annotated Anodyne Cn1cc(CC(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)c2ccccc21 ZINC000023379722 FE Annotated Anodyne CNc1nc(N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)ncc1F ZINC000023380016 FE Annotated Anodyne Cc1nc(C2CCN(Cc3ccc(C#CCCO)cc3)CC2)cc(=O)[nH]1 ZINC000023380313 FE Annotated Mild O=C(c1cn2cc(Cl)ccc2n1)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000023398416 FE Annotated Anodyne O=C(NCc1cc(=O)[nH]cn1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000023398577 FE Annotated Anodyne Cn1nnc(-c2ccc(C(=O)N3CCc4[nH]nc(C(C)(C)C)c4C3)cc2)n1 ZINC000023429124 FE Annotated Anodyne CC(C)(O)C#Cc1ccc(CN2CCC(c3cc(=O)[nH]cn3)CC2)s1 ZINC000023431267 FE Annotated Mild N#CC1(C#N)N[C@@H](c2cccs2)C(C#N)(C#N)N[C@@H]1c1cccs1 ZINC000023478271 FE Annotated Mild N#CC1(C#N)N[C@H](c2ccsc2)C(C#N)(C#N)N[C@H]1c1ccsc1 ZINC000023478272 FE Annotated Mild Cc1cc(-c2[nH]nc3c2CN(Cc2ccccc2OCCO)CC3)no1 ZINC000023478840 FE Annotated Anodyne Cc1nc([C@@H]2CCCN(Cc3ccc(-n4cncn4)cc3)C2)cc(=O)[nH]1 ZINC000023479144 FE Annotated Anodyne Cc1nc([C@H]2CCCN(Cc3ccc(-n4cncn4)cc3)C2)cc(=O)[nH]1 ZINC000023479146 FE Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)C(C)C)[C@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO ZINC000230033075 FE Annotated Mild C=C(C)[C@H]1C[C@@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000230066915 FE Annotated Mild in-man C=C(C)[C@@H]1C[C@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000230066921 FE Annotated Mild in-man C=C(C)[C@H]1C[C@]23C(=O)[C@@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000230066930 FE Annotated Mild in-man C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000230067868 FE Annotated Mild in-man C=C1CC[C@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000230067870 FE Annotated Mild in-man C/C=C(\C)C(=O)O[C@H]1[C@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000230069041 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@@H](CC[C@@H](O)[C@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000230069044 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1[C@]23O[C@@]2(C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C)OC(=O)[C@@H]3C ZINC000230069048 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C)OC(=O)[C@@H]3C ZINC000230069053 FE Annotated Anodyne in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230074059 FE Annotated Mild in-man C=C1C[C@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230074066 FE Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230074072 FE Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230074077 FE Annotated Mild in-man C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](O)[C@H](O)[C@@]13C[C@H](CO)[C@H](CC[C@@H]21)C3 ZINC000230087079 FE Annotated Anodyne in-man C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H]4CO)[C@@H](O)[C@@H](O)[C@@H]12 ZINC000230087084 FE Annotated Anodyne in-man C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H]4CO)[C@@H](O)[C@@H](O)[C@@H]12 ZINC000230087088 FE Annotated Anodyne in-man C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H]4CO)[C@@H](O)[C@@H](O)[C@@H]12 ZINC000230087093 FE Annotated Anodyne in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088076 FE Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088086 FE Annotated Mild in-man C=C1[C@H]2CC[C@@H]3[C@@]4(C=O)CCC[C@@](C)(C(=O)O)[C@@H]4[C@H](C(=O)O)[C@@]3(C2)[C@@H]1O ZINC000230088123 FE Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@]3(C=O)CCC[C@@]1(C)C(=O)O ZINC000230088128 FE Annotated Mild in-man C=C1[C@H]2CC[C@@H]3[C@@]4(C=O)CCC[C@@](C)(C(=O)O)[C@@H]4[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000230088132 FE Annotated Mild in-man C=C1[C@H]2CC[C@@H]3[C@@]4(C=O)CCC[C@@](C)(C(=O)O)[C@@H]4[C@H](C(=O)O)[C@]3(C2)[C@H]1O ZINC000230088138 FE Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088363 FE Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088366 FE Annotated Mild in-man C=C1C[C@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230088370 FE Annotated Mild in-man CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@@H]2[C@@]43C ZINC000230089287 FE Annotated Anodyne in-man CC1=C(O)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@@H]2[C@@]43C ZINC000230089292 FE Annotated Anodyne in-man CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@@H]2[C@@]43C ZINC000230089297 FE Annotated Anodyne in-man CC1=C(O)[C@H]2O[C@]3(O)C(=O)C[C@@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@@]5(C)[C@@H]2[C@@]43C ZINC000230089301 FE Annotated Anodyne in-man CC1=C2[C@H](C[C@@H]3CC[C@@H](O)[C@@H](C)[C@@]3(C)[C@@H]2OC(=O)[C@@]2(C)O[C@@H]2C)OC1=O ZINC000230103372 FE Annotated Anodyne in-man CC1=C2[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@]3(C)[C@H](C)[C@H](O)CC[C@@H]3C[C@H]2OC1=O ZINC000230103376 FE Annotated Anodyne in-man CC1=C2[C@H](C[C@H]3CC[C@@H](O)[C@@H](C)[C@@]3(C)[C@@H]2OC(=O)[C@@]2(C)O[C@@H]2C)OC1=O ZINC000230103383 FE Annotated Anodyne in-man C=C1[C@@H](O)[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 ZINC000230103570 FE Annotated Mild in-man C=C1[C@H](O)[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 ZINC000230103573 FE Annotated Mild in-man C=C1[C@@H](O)[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 ZINC000230103579 FE Annotated Mild in-man C=C1[C@H](O)[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 ZINC000230103584 FE Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230104520 FE Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230104525 FE Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230104535 FE Annotated Mild in-man O=C(N[C@H](c1cccs1)C1CC(O)C1)c1ccc2c(c1)ncn2CCO ZINC000230456151 FE Annotated Anodyne COc1ccc([C@@H](NC(=O)c2cn3ccc(C)cc3n2)C2CC(O)C2)cn1 ZINC000230480766 FE Annotated Anodyne CCOc1ncccc1C(=O)N[C@@H](c1cncc(OC)c1)C1CC(O)C1 ZINC000230492796 FE Annotated Anodyne COc1cncc([C@H](NC(=O)c2cccc3nccnc23)C2CC(O)C2)c1 ZINC000230510323 FE Annotated Anodyne CCc1n[nH]c2c1CN(c1ncnn3c(C)nc(C4CCOCC4)c13)CC2 ZINC000230528166 FE Annotated Anodyne NC1=N[C@]23CC[C@H](NC(=O)c4cccc(Cl)c4)C[C@]2(COC3)CS1 ZINC000230533706 FE Annotated Anodyne in-vitro COc1cncc([C@@H](NC(=O)CCc2c(C)noc2C)C2CC(O)C2)c1 ZINC000230544111 FE Annotated Anodyne O=C(N[C@@H](c1cccs1)C1CC(O)C1)c1cnc2sccn2c1=O ZINC000230563826 FE Annotated Anodyne COc1cncc([C@@H](NC(=O)c2ccc3c(c2)OCO3)C2CC(O)C2)c1 ZINC000230573106 FE Annotated Anodyne O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1scc2c1OCCO2 ZINC000230584503 FE Annotated Anodyne CN1C(=O)COc2ccc(C(=O)N[C@H](c3cccs3)C3CC(O)C3)cc21 ZINC000230586238 FE Annotated Anodyne CC(C)(C)c1nccc(-c2cnc(NC(=O)N3CCC[C@@H]3C(N)=O)s2)n1 ZINC000230815813 FE Annotated Anodyne CC(C)(C)c1nccc(-c2cnc(NC(=O)N3CCC[C@H]3C(N)=O)s2)n1 ZINC000230815828 FE Annotated Anodyne CC(C)n1cc(NC(=O)Cn2cc(-c3ccc4c(c3)CCC4=O)cn2)nn1 ZINC000023542001 FE Annotated Anodyne O=c1cc(C2CCOCC2)nc(-c2cccc(CN3CCOCC3)c2)[nH]1 ZINC000023542485 FE Annotated Anodyne O=C(NCc1n[nH]c(-c2ccncc2)n1)Nc1nnc(C2CCC2)s1 ZINC000023580750 FE Annotated Anodyne CC[C@@H](C(=O)NCc1cc(=O)[nH]cn1)n1cc(C(C)=O)c2ccccc21 ZINC000023581632 FE Annotated Anodyne CC[C@H](C(=O)NCc1cc(=O)[nH]cn1)n1cc(C(C)=O)c2ccccc21 ZINC000023581634 FE Annotated Anodyne CCCCS(=O)(=O)N1CCc2[nH]nc(Cc3ccc(OC)cc3)c2C1 ZINC000023581793 FE Annotated Anodyne Cc1cc(C)n(CCc2nnc(NC(=O)N[C@@H]3CCSC3)s2)n1 ZINC000023619250 FE Annotated Anodyne Cc1cc(C)n(CCc2nnc(NC(=O)N[C@H]3CCSC3)s2)n1 ZINC000023619252 FE Annotated Anodyne CNc1cc(C)nc(N2CCC(n3cc(CN4CCCCC4)nn3)CC2)n1 ZINC000023620141 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@@H](O)OC1=O ZINC000238730742 FE Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@H](C)CC)CC/C=C(/CO)C(=O)C[C@@H]12 ZINC000238730862 FE Annotated Mild C=C1CC[C@@H](O)[C@@]2(CO)CC[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C ZINC000238731049 FE Annotated Mild CN1CCc2cc3c(cc2C(=O)C[C@@H]2C=CC4=C(OCO4)[C@@H]2C1)OCO3 ZINC000238731136 FE Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3 ZINC000238731230 FE Annotated Anodyne CC(C)=CCC(=O)[C@@]1(O)C(O)=C(C(=O)C(C)C)C(=O)[C@@]1(O)CC=C(C)C ZINC000238731277 FE Annotated Mild COc1cccc2c1N(C=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@@]21[C@@H]43 ZINC000238731389 FE Annotated Anodyne C[C@@H]1C(=O)C2=C([C@H]3OCO[C@@H]3C=C2)[C@](O)(c2ccc3c(c2)OCO3)[C@H]1C ZINC000238731413 FE Annotated Mild C=C(C)[C@H]1CC[C@]2(O)C(=O)O[C@@H]3C[C@](C)(CC(=O)/C=C(/C)C(=O)C1)O[C@@H]32 ZINC000238731457 FE Annotated Mild 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)[C@@H]1O ZINC000238731620 FE Annotated Mild C=C1[C@H](O)[C@@]23CC[C@@H]4[C@]5(C)CCC[C@]4(CN(CCO)C5)[C@@H]2C[C@@H]1CC3=O ZINC000238731901 FE Annotated Mild C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@](CO)(C(=O)OC)[C@@H]1C[C@H]24 ZINC000238731906 FE Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4[C@H](O)CN(C2=O)[C@@H]13 ZINC000238731975 FE Annotated Anodyne C/C(=C/CO[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O)C(=O)O ZINC000238732107 FE Annotated Mild CN1CCc2cc3c(cc2[C@H]2O[C@H](O)c4c(ccc5c4OCO5)[C@H]21)OCO3 ZINC000238732109 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@]23C ZINC000238732224 FE Annotated Anodyne CC[C@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 ZINC000238732262 FE Annotated Clean C=C1C[C@]23C[C@H]1CC(=O)[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238732308 FE Annotated Mild C/C=C1/CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC ZINC000238732490 FE 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@@]3(O)C[C@@]2(O)C1 ZINC000238732776 FE Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000238733106 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](O)C(=O)C=C(C)[C@@H]21 ZINC000238733340 FE Annotated Mild C=C1C[C@@H](CC)C(=O)O[C@@H]2CC[C@]3(C)CC=C(COC(=O)[C@@]1(C)O)[N+]23[O-] ZINC000238733410 FE Annotated Mild O[C@H]1CSSC[C@@H](O)CSSC[C@@H](O)CSSC1 ZINC000238733419 FE Annotated Reactive O=C(OC[C@]12O[C@H]1C=C[C@@H](O)[C@H]2OC(=O)c1ccccc1)c1ccccc1 ZINC000238733563 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]23C=CC[N+]4([O-])C[C@H]([C@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]34 ZINC000238733623 FE Annotated Bother C/C=C(\CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238733732 FE Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1[C@]3(C)CCC[C@]21COC3=O ZINC000238734002 FE Annotated Mild Cc1cc2cc3c(c(O)c2c(O)c1[C@H](C)O)C(=O)[C@@](C)(O)C(=O)C3(C)C ZINC000238734036 FE Annotated Anodyne O=C1OC[C@H](Cc2cc3c(cc2O)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000238734070 FE Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2 ZINC000238734474 FE Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](OC(=O)/C(=C/CO)CO)C/C(C)=C/CC1 ZINC000238734532 FE Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@H]4C5=Nc6ccccc6[C@@]51C[C@H]2N4[C@@H](C)[C@H]3C=O ZINC000238734850 FE Annotated Mild O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1)c1cc[nH]c1 ZINC000238735082 FE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC[C@@H](C)CC)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000238735093 FE Annotated Reactive COc1cc(C)c2c(=O)c3c(O)c4c(c(O)c3oc2c1)C(=O)C(O)=CC4=O ZINC000238735113 FE Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@](C)(O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)OC[C@H]1O ZINC000238735132 FE Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]2[C@]1(C)O ZINC000238735407 FE Annotated Anodyne COC(=O)[C@H]1C[C@]23CCC(=O)N4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000238735617 FE Annotated Anodyne C=CC[C@@]12C=C(O)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000238735716 FE Annotated Mild C/C=C/C(=O)[C@]1(O)[C@@H](C)CC[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]1OC(=O)C(C)C ZINC000238735802 FE Annotated Mild O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1)c1ccc[nH]1 ZINC000238735983 FE Annotated Anodyne CC(C)=CC[C@@H](O)/C(C)=C/C[C@H](O)[C@]1(CO)O[C@H]1CC/C(C)=C\CO ZINC000238735989 FE Annotated Anodyne CC(C)=CC(=O)O[C@H]1CC(=O)[C@@]2(C)[C@@H](O)[C@@H]3[C@H](C)C(=O)O[C@@H]3C[C@@H](C)[C@H]12 ZINC000238736470 FE 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@@]3(O)C[C@@]2(O)C1 ZINC000238736482 FE Annotated Anodyne C=C1[C@@H]2CC[C@]3(C(=O)C[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O ZINC000238736735 FE Annotated Mild C/C=C/C(=O)[C@]1(O)[C@@H](C)CC[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]1OC(=O)/C(C)=C/C ZINC000238736815 FE Annotated Mild CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@H]4C5=Nc6ccccc6[C@@]51C[C@H]2N4[C@@H](C)[C@@H]3CO ZINC000238737025 FE Annotated Anodyne C=C1C[C@]23C(=O)C[C@H]1C[C@H]2[C@]12CCC[C@](C)(CN(CCO)C1)[C@H]2C[C@H]3O ZINC000238737331 FE Annotated Mild C=CC[C@@]12C=C(OC)[C@@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000238737381 FE Annotated Mild COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@]43O ZINC000238737691 FE Annotated Anodyne C[C@H]1C[C@@H](O)C2=C3CO[C@@](C)(CC[C@@]31C)[C@H](O)CC[C@@]1(C)O[C@H]1C2=O ZINC000238737721 FE Annotated Mild CCC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=C/CCC/C=C/[C@@H](O)C1=CC=CCC1 ZINC000238737911 FE Annotated Anodyne C[C@@H]1[C@@H](O)C=C2C(=O)[C@@H]3O[C@]3(C)CC[C@H]3O[C@@]3(C)CC[C@]1(C)[C@@]2(C)O ZINC000238738305 FE Annotated Mild C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H]1O[C@@]1(C)CC[C@@H](O)[C@@](C)(O)CCC2=O ZINC000238738543 FE Annotated Mild CC#CC#C/C=C1/O[C@@]2(CC[C@@H](OC(=O)CC(C)C)CO2)[C@H](O)[C@H]1Cl ZINC000238738544 FE Annotated Reactive CN[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@@H]3CC[C@]12C)[C@H]45 ZINC000238738681 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21COC(=O)CC(C)C ZINC000238738864 FE Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC=C2C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238738882 FE Annotated Anodyne C=CC[C@]12C=C(OC)[C@H](O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238738900 FE Annotated Mild CC1=C(CCC2=CC(=O)OC2)[C@@]2(C)C[C@@H](O)C[C@](C)(CO)[C@@H]2[C@@H](O)C1 ZINC000238738987 FE Annotated Anodyne C[C@@H]1C[C@@H](O)[C@]2(C)[C@@]3(C)CC[C@@]2(OC3=O)[C@@]1(CO)C[C@@H](O)c1ccoc1 ZINC000238739072 FE Annotated Anodyne C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238739103 FE Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@H]12 ZINC000238739127 FE Annotated Mild C/C=C1/CN2[C@@H]3C[C@@]45c6cccc(OC)c6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC ZINC000238739156 FE Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2 ZINC000238739335 FE Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=C1[C@@H]1C(=O)C(OC)=C[C@H]21 ZINC000238739415 FE Annotated Mild C[C@H]1C(=O)[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000238739564 FE Annotated Anodyne C=C1CC[C@H]2[C@]3(C)CCC[C@]24[C@H]1C[C@@H](C1=C[C@H](O)OC1=O)O[C@@H]4OC3=O ZINC000238739613 FE Annotated Mild COC(=O)[C@@H]1CO[C@@]2(CCO)CC[C@H]3c4[nH]c5ccccc5c4C[C@@H]1N3C2 ZINC000238739616 FE Annotated Anodyne COC(=O)/C=C1/OC(=O)c2c1ccc1c(CCN(C)C)cc(OC)c(O)c21 ZINC000238739784 FE Annotated Anodyne C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@H]3N(CC[C@@]34Nc3ccccc3C4=O)C[C@@H]12 ZINC000238739872 FE Annotated Anodyne COC1=C[C@@H]2C3=C(C(=O)CCc4cc(OC)c(OC)c(OC)c43)[C@@H]2C1=O ZINC000238740020 FE Annotated Mild CN1Cc2c3c(cc(O)c2[C@@H]2[C@H](O)Cc4cc5c(cc4[C@@H]21)OCO5)OCO3 ZINC000238740040 FE Annotated Anodyne O=C(O)/C=C/c1ccc(O)c(O)c1-c1c(/C=C/C(=O)O)ccc(O)c1O ZINC000238740192 FE Annotated Clean C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@@H](O)[C@@]13COC(=O)C1=CCC[C@H]23 ZINC000238740463 FE Annotated Anodyne C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@H]3C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000238740762 FE Annotated Anodyne C[C@H]1[C@H]2C[C@H]3N1C[C@H]1CCC(=O)C4=C(C(=C2O)C2=C4CCOC2=O)[C@]13C ZINC000238741646 FE Annotated Mild CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@](CCO)(CC[C@@H]12)[C@H]43 ZINC000238741761 FE Annotated Anodyne CC(C)C(=O)O[C@H]1[C@]2(C)[C@@H](C)CC[C@H]3O[C@]32C[C@]23OC(=O)[C@@H](C)[C@]12O3 ZINC000238742069 FE Annotated Anodyne COc1cc2oc(C)cc(=O)c2c(O)c1CC(=O)O/C=C(\C)CC(=O)O ZINC000238742434 FE Annotated Anodyne CC[C@H]1C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1O ZINC000238742497 FE Annotated Clean C/C=C1/CN(C=O)[C@@H]2C[C@@H]1[C@@H](C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000238742694 FE Annotated Anodyne COC(=O)c1cccc2nc3c(C(=O)OC)ccc(OC(C)=O)c3nc12 ZINC000238742713 FE Annotated Bother C=C1C[C@]23CC[C@H]1C[C@@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCO)[C@@H]1O[C@@H]3[C@H](O)[C@H]42 ZINC000238742863 FE Annotated Mild CON1C(=O)[C@@]2(C[C@@H]3N=C([C@@]4(C)O[C@@H]4C)[C@@H]4C[C@H]2OC[C@H]34)c2ccccc21 ZINC000238743012 FE Annotated Anodyne O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4C=CCC[C@@H]34)[C@@H]2C1)c1ccc[nH]1 ZINC000238743161 FE Annotated Anodyne C=CC[C@]12C[C@H](O)C(=O)[C@H]([C@@H]1O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238743216 FE Annotated Mild COC1=C[C@@]23CCN(C)[C@@]2(CCc2cc4c(c(OC)c23)OCO4)CC1=O ZINC000238743255 FE Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000238743292 FE Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238743313 FE Annotated Mild CC1=CC(=O)[C@@]2(C)C(=O)C3=C([C@H](O)[C@H]4OC(=O)[C@@]35CCCC(C)(C)[C@H]45)[C@@H]12 ZINC000238743398 FE Annotated Mild C[C@@H]1O[C@]1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@]3(C[C@H]2[C@]1(C)O)OC3(C)C ZINC000238743510 FE Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@@H](O1)[C@](C)(O)CCC2=O ZINC000238744077 FE Annotated Mild COc1cccc2c1N(C=O)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OC(=O)C4 ZINC000238744136 FE Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C=O)CCC[C@@](C)(C(=O)O)[C@H]4[C@H](C(=O)O)[C@]3(C2)[C@@H]1O ZINC000238744140 FE Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC=C2C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238744152 FE Annotated Anodyne C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)O)C[C@@]54[C@@]2(O)[C@@H]1CC[C@@]34CO ZINC000238744219 FE Annotated Anodyne C=C(C(=O)/C=C/C(C)(C)O)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)/C(C)=C/C ZINC000238744397 FE Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC[C@]2(O)C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238744542 FE Annotated Anodyne C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238744670 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)[C@H](C)CC)C[C@@H](CO)CC/C=C(\C)[C@H]2O ZINC000238744867 FE Annotated Mild CC(C)(O)[C@@]1(O)C=C2[C@@H](O)C[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1 ZINC000238745373 FE Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@@H](CO)[C@H](CC[C@@H]21)C3 ZINC000238745378 FE Annotated Anodyne C/C=C/C#CC#C[C@H](OC(C)=O)[C@H](/C=C/CCCOC(C)=O)OC(C)=O ZINC000238745402 FE Annotated Mild CC[C@]12C=CCN3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000238745523 FE Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccc(OC)cc5N(C(C)=O)[C@H]3[C@H](CO)[C@H]1C[C@H]24 ZINC000238745639 FE Annotated Anodyne COC1=Cc2c(OC)c3nccc4cc(OC)c(OC)c(c2=CC1=O)c43 ZINC000238745894 FE Annotated Mild O=C(OC[C@]12O[C@H]1C=C[C@@H](O)[C@@H]2OC(=O)c1ccccc1)c1ccccc1 ZINC000238746002 FE Annotated Anodyne COc1cc(C2=C(CO)[C@H](CO)Cc3cc(OC)c(O)cc32)ccc1O ZINC000238746364 FE Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2O ZINC000238746397 FE Annotated Clean C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1CC[C@H](OC(C)=O)[C@]12COC(C)=O ZINC000238746498 FE Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C[C@@H](C)O)C=C[C@@]31CCN(C)C2 ZINC000238746579 FE Annotated Anodyne C/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC(O)=CC(=O)O1 ZINC000238746982 FE Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(Nc5ccccc5C4=O)[C@H]3C[C@H]12 ZINC000238747289 FE Annotated Anodyne CC[C@@]12CCCN3CC[C@]4(c5ccc(O)c(O)c5N(C(C)=O)[C@@H]4[C@@H](O)C1)[C@H]32 ZINC000238747384 FE Annotated Clean C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)[C@@H]1C=CC[C@@]32O ZINC000238747392 FE Annotated Anodyne CN1CCc2cc3c(cc2[C@H]2O[C@H](O)c4c(ccc5c4OCO5)[C@@H]21)OCO3 ZINC000238747675 FE Annotated Anodyne COc1ccc(Cn2cc(Cc3cc(O)c(OC)c(O)c3)n(C)c2=N)cc1 ZINC000238747821 FE Annotated Anodyne CC[C@@H]1C[C@@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1C(=O)[C@H]3O ZINC000238748250 FE Annotated Anodyne NC1=C([C@H]2CCC(=O)c3c(O)ccc(O)c32)C(=O)c2c(O)cccc2C1=O ZINC000238748307 FE Annotated Mild COc1cc2c(cc1OC)[C@@]1(O)Cc3ccc4c(c3[C@H]1N(C)CC2)OCO4 ZINC000238748599 FE Annotated Anodyne C=C[C@]1(C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1OC(=O)[C@H](C)CC ZINC000238748683 FE Annotated Mild C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC ZINC000238748999 FE Annotated Anodyne COc1ccc(C(=O)[C@@H]2CO[C@H](c3ccc(OC)c(O)c3)[C@H]2CO)cc1O ZINC000238749377 FE 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@H]3[C@H](O)[C@@]12O ZINC000238749418 FE Annotated Anodyne C[C@@H]1CC(=O)[C@@]2(CO)[C@H](CCC[C@]23CO3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238749505 FE Annotated Anodyne O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4CCCC[C@@H]34)[C@@H]2C1)c1ccc[nH]1 ZINC000238749656 FE Annotated Anodyne C=CC[C@]12C=C(OC)[C@@H](O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238749694 FE Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2C[C@@H]1C3=Nc2ccccc21 ZINC000238749721 FE Annotated Anodyne C/C=C(/CO)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 ZINC000238749758 FE Annotated Anodyne C[C@@]12C(=CC[C@]34COC(=O)C3=CCC[C@@H]14)C(=O)O[C@H](c1ccoc1)[C@@H]2O ZINC000238749872 FE Annotated Anodyne C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@H]4[C@@]3(C)[C@H](O)CC[C@@]4(C)C(=O)O)(C2)[C@@H]1O ZINC000238749914 FE Annotated Mild C=C(CC/C=C(\CO)CC/C=C(\C)CO)C(=O)CC/C(=C\CO)CO ZINC000238750032 FE Annotated Mild C=C1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](C(C)C)[C@H]2[C@H]1CC(=O)[C@@H]2OC(C)=O ZINC000238750231 FE Annotated Mild C[C@@H]1CC(=O)[C@@]2(CO)[C@H](CCC[C@]23CO3)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238750271 FE Annotated Anodyne C[C@@H]1C[C@H]2O[C@H](O)[C@H]3CCC[C@@H]4[C@]1(C[C@H](O)c1ccoc1)C(=O)OC[C@]342 ZINC000238750368 FE Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C[C@H]12 ZINC000238750670 FE Annotated Mild OC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)O[C@@H](O)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000238750866 FE Annotated Anodyne CC[C@]1(O)C[C@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@@H]24 ZINC000238750906 FE Annotated Anodyne CC(C)=CC(=O)O[C@H]1CC=C2C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238750942 FE Annotated Anodyne CC(=O)OC/C=C/C#CC#C/C=C/C=C/[C@@H](CCOC(C)=O)OC(C)=O ZINC000238751083 FE Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]1(O)CC[C@@H]1C=COC1=O ZINC000238751211 FE Annotated Anodyne C=C1[C@H](F)[C@]23C[C@H]1CC[C@H]2[C@@]1(C)[C@@H]2[C@@H](OC(=O)[C@]2(C)CC[C@H]1O)[C@@H]3O ZINC000238751252 FE Annotated Mild CN[C@H]1CO[C@@H]2C3=C[C@H]4OC(=O)[C@@]5(C)[C@@H](O)CC[C@](C)([C@H]3CC[C@]12C)[C@@H]45 ZINC000238751258 FE Annotated Anodyne CC(=O)OC/C=C/C#CC#C/C=C\C=C\[C@@H](CCOC(C)=O)OC(C)=O ZINC000238751273 FE Annotated Mild C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238751490 FE Annotated Mild C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]1(C)CCC1=CC(=O)OC1 ZINC000238751524 FE Annotated Anodyne COc1c2c(cc3c1[C@]14CCN(C)[C@H](CC3)C1=C[C@@H](O)[C@@H](OC)C4)OCO2 ZINC000238751776 FE Annotated Anodyne C[C@]12CC[C@H](O)[C@H](O1)c1cc3c(cc1O2)C(=O)c1cc(O)cc(O)c1C3=O ZINC000238751806 FE Annotated Clean C=C1[C@@H]2CC[C@@]3(O)[C@@]4(C)C(=C(C)CC[C@H]4O)C[C@H](O)[C@]3(C2)[C@@H]1OC(C)=O ZINC000238751871 FE Annotated Mild C=C1CC[C@]2(C)[C@@](C)(O)C(=O)CC[C@]2(O)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238752086 FE Annotated Mild C[C@@H]1CC(=O)[C@]23CO[C@@H]4O[C@H](c5ccoc5)C[C@]14[C@H]2CCC[C@]3(O)CO ZINC000238752157 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H](C=O)[C@@H]2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000238752417 FE Annotated Mild C/C=C(\C)C(=O)O[C@@H]1CC(C=O)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000238752432 FE Annotated Reactive C[C@H](O)[C@@H](C)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C ZINC000238752720 FE Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)[C@@]34O[C@]3(C[C@@H]12)OC(=O)[C@@H]4C ZINC000238752728 FE Annotated Anodyne C=C1[C@H](O)[C@]23[C@@H]4C[C@H]1C[C@H]2[C@@]1(CCC[C@@](C)(C=O)[C@H]1C[C@H]3OC(C)=O)C4=O ZINC000238752735 FE Annotated Mild COC(=O)[C@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1C(C=O)=CN2C ZINC000238752922 FE Annotated Reactive COc1cc(O)c2c(c1)C(=O)c1cc(OC)c3c(c1C2=O)O[C@@H]1OCC[C@H]31 ZINC000238753022 FE Annotated Clean C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=C[C@@H]3O[C@@H]3[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000238753109 FE Annotated Anodyne COC(=O)[C@H]1C[C@]23C=CC(=O)[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 ZINC000238753259 FE Annotated Bother COc1c(C)c(OCC=C(C)C)cc2c1CN(CCS(=O)(=O)O)C2=O ZINC000238753311 FE Annotated Anodyne C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238753346 FE Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C ZINC000238753475 FE Annotated Anodyne CO[C@H]1/C=C(\C)C[C@@H](OC(C)=O)[C@@]23O[C@H](O)[C@@H]([C@@H]1OC)[C@@H]2CC3(C)C ZINC000238753848 FE Annotated Anodyne C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC(O)=CC(=O)O1 ZINC000238753874 FE Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H](O)[C@@H]2O)ccc1O ZINC000238754048 FE Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](O)C(=O)C(OC(=O)CC(C)C)=C(C)[C@@H]3C[C@H]12 ZINC000238754148 FE Annotated Mild C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O ZINC000238754484 FE Annotated Clean C[C@@H]1CC(=O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CC[C@H](O)[C@]31CO1 ZINC000238754897 FE Annotated Anodyne CC(=O)O[C@H]1[C@H](C)[C@]2(O[C@@H](C)[C@H]1C)[C@H](C)[C@@H]1OC(=O)[C@@]2(C)C(=O)[C@H]1C ZINC000238755155 FE Annotated Anodyne C/C(=C\CC/C(=C/CO)CO)CCC[C@H](CO)CCCC(CO)CO ZINC000238755217 FE Annotated Anodyne CN1[C@@H]2O[C@@H](c3cc4c(cc32)OCO4)[C@H]2c3cc4c(cc3[C@H](O)[C@@H]21)OCO4 ZINC000238755491 FE Annotated Anodyne COC1(OC)C(Br)=CC(O)(CC#N)C=C1Br ZINC000238755718 FE Annotated Mild C=CC[C@]12C[C@H](OC)C(=O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238755783 FE Annotated Mild COC(=O)C1=C(c2ccc(O)cc2)C(=O)/C(=C\c2ccc(O)c(O)c2)O1 ZINC000238756017 FE Annotated Mild O=C1O/C(=C(/C(=O)O)c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)cc1 ZINC000238756028 FE Annotated Clean C=CC[C@@]12C=C(OC)[C@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000238756132 FE Annotated Mild COC1=CC[C@@H]2C[C@H]3OC(=O)C=C4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238756157 FE Annotated Mild C[C@H]1C[C@H](O)[C@]23CO[C@@]2(CO)CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O ZINC000238756658 FE Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](O[C@@H]2OC)[C@@H](OC)C=C2CCN(C)[C@H]21 ZINC000238756955 FE Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)[C@@H](OC)OC[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000238757141 FE Annotated Anodyne C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000238757148 FE Annotated Anodyne C=C(C)[C@H](O)CC/C(C)=C/[C@H](O)C/C(=C/COC(C)=O)COC(C)=O ZINC000238757163 FE Annotated Mild COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O)[C@H]2O)cc1OC ZINC000238757293 FE Annotated Anodyne C[C@@H]1C[C@@H](O)[C@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238757386 FE Annotated Anodyne COC1=C[C@]23CCN(C)[C@H](CCc4cc(O)c(OC)c(OC)c42)C3=CC1=O ZINC000238757946 FE Annotated Mild C=C1[C@H](O)[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000238758038 FE Annotated Mild CC(C)[C@@H]1C=C2[C@H](O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@]2(O)[C@H](O)C1 ZINC000238758140 FE Annotated Anodyne C=C1C[C@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238758159 FE Annotated Mild CO[C@@]12C[C@H]3[C@H]4CN1CC[C@@]21c2ccccc2N(C(C)=O)[C@H]1[C@@H]3CO[C@@H]4C ZINC000238758166 FE Annotated Anodyne C#C[C@]1(O)[C@@H](O)C[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3[C@@H](OC)C[C@@]21C ZINC000238758308 FE Annotated Mild CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)C4=Nc5ccccc5[C@]4(O)CCN(C2=O)[C@@H]13 ZINC000238758370 FE Annotated Anodyne CC1=CC(=O)[C@H]2[C@@](C)(C(=O)O)CCC[C@@]23C(=O)O[C@@H](c2ccoc2)C[C@@]13O ZINC000238758498 FE Annotated Mild CCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)[C@@H]1C(O)=CC=C[C@H]1C2=O ZINC000238758591 FE Annotated Clean C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](O)C(=O)C=C(C)[C@@H]21 ZINC000238758665 FE 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)O[C@@]3(O)C[C@@H]12 ZINC000238758692 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)[C@]34O[C@@]3(C[C@@H]12)OC(=O)[C@H]4C ZINC000238759143 FE Annotated Anodyne C/C(=C/CO)CC/C=C(\CO)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 ZINC000238759510 FE Annotated Anodyne CO[C@@H]1OC[C@]2(CC/C(=C/CO)CO)[C@H](C)C[C@H](O)[C@@]13C(C)=CCC[C@H]23 ZINC000238759596 FE Annotated Anodyne C=C1[C@H]2CC[C@]3([C@H]1O)[C@H](O)C[C@@H]1[C@@]4(CCC[C@@]1(C)CN(CC=O)C4)[C@H]3C2 ZINC000238759609 FE Annotated Mild C/C=C1/CN(C)C(=O)[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 ZINC000238759716 FE Annotated Anodyne O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4C=CCC[C@H]34)[C@@H]2C1)c1ccc[nH]1 ZINC000238759803 FE Annotated Anodyne C[C@@H]1CC[C@@]23[C@H](O)O[C@H]4C[C@@]2(OC(=O)[C@]43C)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238759877 FE Annotated Anodyne C=C1[C@H](F)[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000238759962 FE Annotated Mild COC1=C(OC)C(=O)[C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4[C@]2(CCN3C)C1 ZINC000238759991 FE Annotated Mild C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@]23C(=O)C[C@H]1[C@H]4C(=O)OC ZINC000238760247 FE Annotated Anodyne C[C@@H]1C[C@]23C(=O)O[C@@]2(C)CCCC[C@@H]3[C@@]1(CO)CC/C(=C/CO)CO ZINC000238760429 FE Annotated Anodyne C=C1C[C@]23CC[C@@]1(O)C[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238760699 FE Annotated Mild COC1=CC(=O)C=C(OC(C)=O)[C@]12Oc1c(Cl)c(C)cc(O)c1C2=O ZINC000238760734 FE Annotated Mild C/C=C(\C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238760745 FE Annotated Mild O=C1c2ccc3ccoc3c2O[C@@H]2COc3cc4c(cc3[C@]12O)OCO4 ZINC000238760879 FE Annotated Anodyne COc1cc(/C=C/CO)cc2c1O[C@H](c1ccc(O)c(CO)c1)[C@H]2CO ZINC000238760990 FE Annotated Anodyne CC[C@@H]1CN(C)[C@H]2C[C@H]3[C@H](N[C@H]4CCCC[C@H]43)C(=O)C[C@@H]1[C@H]2C(=O)OC ZINC000238761042 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H]3O[C@H]3[C@H]3O[C@@]3(C)[C@@H]21 ZINC000238761330 FE Annotated Anodyne C[C@H]1C(=O)[C@H](O)[C@@H]2[C@](C)(CO)CCC[C@@]2(C)[C@]1(O)CCc1ccoc1 ZINC000238761668 FE Annotated Anodyne C=C1[C@@H]2CC[C@@]3(O)[C@@]4(C)C(=C(C)CC[C@H]4O)C[C@H](OC(C)=O)[C@]3(C2)[C@@H]1O ZINC000238761964 FE Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C[C@H]4[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@]4(C)O3 ZINC000238762028 FE Annotated Anodyne COC1=C(OC)[C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4[C@]2(CCN3C)CC1=O ZINC000238762068 FE Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/CO)[C@]3(O)CC[C@](C)(C[C@H](OC[C@@H](C)CC)[C@@H]12)O3 ZINC000238762340 FE Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C[C@H](C)O)C=C[C@@]31CCN(C)C2 ZINC000238762471 FE Annotated Anodyne C=C1[C@H]2CC[C@@]3(C(=O)C[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O ZINC000238762560 FE Annotated Mild COC(=O)[C@@H]1C[C@]23C=CC(=O)N4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000238762620 FE Annotated Anodyne COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1C(C=O)=CN2C ZINC000238762756 FE Annotated Reactive CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C[C@H]2CC(=O)/C3=C/CCNCCC[C@@]321 ZINC000238763220 FE Annotated Mild CC1(C)Oc2cc(O)c3c(c2[C@H](O)[C@@H]1O)OC(c1ccc(O)cc1)=C[C@@H]3O ZINC000238763224 FE Annotated Anodyne C=CC[C@@]12CC(=O)[C@H](O)[C@@H]([C@@H](C)[C@@H]1c1cc(OC)c3c(c1)OCO3)[C@@H]2O ZINC000238763325 FE Annotated Mild C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(C=O)C(=O)OC ZINC000238763373 FE Annotated Mild CC(C)C(=O)c1c(O)c2c(c3c1O[C@H](C(C)(C)O)C3)O[C@H](C(C)(C)O)C2 ZINC000238763462 FE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3N(C)c4ccccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 ZINC000238763584 FE Annotated Anodyne C/C=C1/CN2CC[C@H]1[C@@]1(C(=O)OC)C(=O)[C@@]3(C=Nc4ccccc43)C[C@@H]21 ZINC000238763779 FE Annotated Anodyne CN1Cc2c(ccc3c2OCO3)[C@H]2C(=O)c3cc4c(cc3C[C@@H]21)OCO4 ZINC000238763809 FE Annotated Anodyne CC(=O)OC/C=C/C#CC#C/C=C\C=C/[C@@H](CCOC(C)=O)OC(C)=O ZINC000238763857 FE Annotated Mild CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CC(C)C)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]12O ZINC000238764023 FE Annotated Mild CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@@H](CC2=O)[C@H](CO[C@@H]4C)[C@H]13 ZINC000238764033 FE Annotated Anodyne C/C=C1\CN(C)CC[C@@]23C(=O)C[C@@H]1[C@@H](CO)[C@@H]2N(C(C)=O)c1ccccc13 ZINC000238764035 FE Annotated Anodyne C=C1C[C@H](OC(=O)CC(C)C)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)[C@H](O)[C@@H]1O ZINC000238764521 FE Annotated Mild COC(=O)[C@@]1(CO)C[C@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000238764646 FE Annotated Anodyne CC(=O)C1=CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H](C=O)[C@H]1C[C@H]24 ZINC000238764732 FE Annotated Mild COC(=O)[C@]12C[C@@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2C[C@H]3[C@H](C)O ZINC000238764782 FE Annotated Anodyne CC(C)[C@@]1(O)/C=C/[C@@](C)(O)C/C=C/[C@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 ZINC000238764786 FE Annotated Anodyne C=C1C[C@H]2C=C(CC[C@@](O)(C(C)C)/C=C/[C@](C)(O)CC[C@@H]1O)C(=O)O2 ZINC000238764820 FE Annotated Mild C=C1C[C@H]2C=C(CC[C@@](O)(C(C)C)/C=C/[C@](C)(O)CC[C@H]1O)C(=O)O2 ZINC000238764833 FE Annotated Mild CCC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=C\CCC/C=C\[C@@H](O)C1=CC=CCC1 ZINC000238764932 FE Annotated Anodyne CCC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=C/CCC/C=C\[C@@H](O)C1=CC=CCC1 ZINC000238764941 FE Annotated Anodyne CCC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=C\CCC/C=C/[C@@H](O)C1=CC=CCC1 ZINC000238764955 FE Annotated Anodyne C[C@@H]1CC[C@@]23C(=O)O[C@H]4C[C@@]2(OC(=O)[C@]43C)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238765087 FE Annotated Anodyne COC(=O)[C@@H]1[C@H]2C[C@H]3C4=Nc5ccccc5[C@@H]4CCN3C[C@@H]2[C@H](C)O[C@H]1O ZINC000238765405 FE Annotated Anodyne C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)C[C@H](C)CO)C1 ZINC000238765581 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]23C=CC[N+]4([O-])C[C@H]([C@@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@H]34 ZINC000238765748 FE Annotated Bother C[C@H](/C=C\[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C ZINC000238766109 FE Annotated Anodyne C[C@]12C[C@H](c3ccoc3)O[C@@H](O)[C@@H]1CC[C@@]13COC(=O)[C@@H]1C=CC[C@]23O ZINC000238766120 FE Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000238766187 FE Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@](C)([C@@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000238766201 FE Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]13C=CC(=O)C=C1[C@H](CC2)[N+](C)([O-])CC3 ZINC000238766287 FE Annotated Mild C[C@@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](C)(O)C3 ZINC000238766367 FE Annotated Anodyne C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H](OC(=O)/C(C)=C/CO)C1 ZINC000238767111 FE Annotated Anodyne CO[C@@H]1OC2=C(C[C@H]1O)C(=O)C(O)=C1C2=C[C@@H](O)[C@@H]2C(C)=C(C)CC[C@]12C ZINC000238767220 FE 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@H](O)[C@H]2C1 ZINC000238767354 FE Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@H]1[C@@H](C=O)CC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238767409 FE Annotated Mild Cc1coc2c1[C@@H](O)[C@H]1[C@](C)(O)[C@H](OC(=O)[C@@]3(C)O[C@@H]3C)CC[C@]1(C)C2 ZINC000238767485 FE Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H](C)[C@@H](O)C[C@H](C1)[C@@H]23 ZINC000238767583 FE Annotated Anodyne C[C@]12CC[C@@H](O)[C@H](O1)c1cc3c(cc1O2)C(=O)c1cc(O)cc(O)c1C3=O ZINC000238767639 FE Annotated Clean CC(C)[C@H]1C[C@]23CCCN2C(=O)[C@@]1(/C=C1/Nc2ccccc2C1=O)NC3=O ZINC000238767817 FE Annotated Mild CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@@H]12)[C@@H]43 ZINC000238767931 FE Annotated Anodyne O=C1C=CC[C@H](/C=C/C[C@H]2C[C@@H](O)[C@@H](O)[C@H](/C=C/c3ccccc3)O2)O1 ZINC000238767994 FE Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)C[C@H]12 ZINC000238768073 FE Annotated Mild CCO[C@@]1(C(=O)OC)NC(=O)C(c2ccc(O)cc2)=C1c1ccc(O)cc1 ZINC000238768202 FE Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CC[C@@H](O)[C@@]3(C)CO)[C@@H]1C[C@H](C1=CCOC1=O)O2 ZINC000238768255 FE Annotated Anodyne C/C=C1/CN2CC[C@@H]3Nc4ccccc4[C@@H]3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000238768392 FE Annotated Anodyne C[C@@H]1C[C@H](O)[C@]2(C)[C@H](C[C@@H](O)C[C@]23CO3)[C@@]1(C)CCC1=CC(=O)OC1 ZINC000238768520 FE Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000238768546 FE Annotated Anodyne C=C[C@]1(C)CC[C@@H](C(C)(C)O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C[C@H]1C(=C)C ZINC000238768572 FE Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@]([C@H](C)O)(C1)[C@@H]23 ZINC000238768864 FE Annotated Anodyne C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]1(C=O)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000238768866 FE Annotated Mild C/C(=C\CC/C(=C\CO)CO)CC/C=C(\C)C[C@H](O)[C@H](O)C(C)(C)O ZINC000238768912 FE Annotated Anodyne C/C(=C/CC/C(=C\CO)CO)CC/C=C(\C)C[C@H](O)[C@H](O)C(C)(C)O ZINC000238768924 FE Annotated Anodyne O=C1C=CC[C@H](/C=C/C[C@H]2C[C@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 ZINC000238768929 FE Annotated Anodyne C/C(=C\CC/C(=C/CO)CO)CC/C=C(\C)C[C@H](O)[C@H](O)C(C)(C)O ZINC000238768935 FE Annotated Anodyne COc1cc(C[C@@H]2[C@@H](Cc3ccc4c(c3)OCO4)CO[C@H]2O)ccc1O ZINC000238768941 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCCN4C(=O)C[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000238768948 FE Annotated Anodyne C/C(=C/CC/C(=C/CO)CO)CC/C=C(\C)C[C@H](O)[C@H](O)C(C)(C)O ZINC000238768950 FE Annotated Anodyne Cc1cc2c(c(C)c1CCOC(=O)[C@@H](N)CCC(=O)O)C(=O)C(C)(C)C2 ZINC000238769016 FE Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@@]12O ZINC000238769082 FE Annotated Mild C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238769217 FE Annotated Mild C[C@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@]34Nc3ccccc3C4=O)C[C@H]21 ZINC000238769459 FE Annotated Anodyne C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@H]12 ZINC000238769520 FE Annotated Mild COC1=C(OC)C(=O)[C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4[C@@]2(CCN3C)C1 ZINC000238769543 FE Annotated Mild C=CC[C@]12CC(=O)[C@@H](O)[C@H]([C@@H]1O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238769554 FE Annotated Mild C[C@@](O)(CO)CCC[C@H]1C(=O)CC[C@H]2C[C@@](C)([C@H](O)CO)CC[C@@]21C ZINC000238769561 FE Annotated Anodyne COC(=O)[C@]1(O)C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000238769596 FE Annotated Anodyne CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@@H](O)Cc3c(ccc4c3OCO4)[C@@H]21 ZINC000238769732 FE Annotated Anodyne CC(=O)OC/C=C/C#CC#C/C=C/CC[C@@H](CCOC(C)=O)OC(C)=O ZINC000238769837 FE Annotated Mild C/C=C1/CN2[C@@H]3C[C@@]45c6cccc(OC)c6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC ZINC000238769974 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000238770028 FE Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3=O ZINC000238770495 FE Annotated Clean CC(=O)OCC[C@@H](/C=C\C=C/C#CC#C/C=C/CO)OC(=O)C=C(C)C ZINC000238770624 FE Annotated Mild C[C@]12C[C@H](c3ccoc3)OC(=O)C1=C[C@@H](O)[C@@]13COC(=O)[C@@H]1C=CC[C@H]23 ZINC000238770983 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3[C@@](C)(O)C=CC(=O)[C@@]3(C)CC[C@H]21 ZINC000238771018 FE Annotated Mild COC(=O)C[C@H]1OO[C@](CCC[C@@H](O)/C=C(\C)[C@@H](C)O)(OC)C[C@H]1C ZINC000238771208 FE Annotated Reactive CCC(=O)O[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000238771229 FE Annotated Anodyne C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)/C(C)=C/CO)C1 ZINC000238771282 FE Annotated Anodyne C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C[C@@]1(CO1)[C@]31CC[C@]3(CCOC3=O)O1)OC2=O ZINC000238771307 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)C(=O)C=C[C@@](C)(O)[C@@H]21 ZINC000238771458 FE Annotated Mild CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1[C@H]2O)OCO4)OCO3 ZINC000238771475 FE Annotated Anodyne C=C1[C@H]2CC[C@@]3([C@H](O)C[C@@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@H]3C2)[C@@H]1O ZINC000238771499 FE Annotated Mild C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)[C@]1(C)CC[C@@H](O1)[C@@](C)(O)CCC2=O ZINC000238771602 FE Annotated Mild C[C@@H]1C[C@@H](O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CC[C@H](O)[C@]31CO1 ZINC000238771687 FE Annotated Anodyne C/C=C1\CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1CC1=NCCc3c1n2c1ccccc31 ZINC000238771857 FE Annotated Anodyne COC1=C(OC)C(=O)[C@H]2[C@H]3Cc4cc(OC)c(OC)cc4[C@@]2(CCN3C)C1 ZINC000238772269 FE Annotated Mild O=S(=O)(O)c1nc(Cc2ccc(O)cc2)cnc1Cc1ccc(O)cc1 ZINC000238772294 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)/C=C(/C)C[C@H](O)/C=C(/C)[C@H]2O ZINC000238772406 FE Annotated Mild CC[C@H]1N[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@@H]3C[C@@H]1[C@H]2CO3 ZINC000238772550 FE Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2O ZINC000238772845 FE Annotated Clean COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000238772916 FE Annotated Anodyne CC(C)=CC(=O)O[C@H]1CC[C@]2(O)C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238772999 FE Annotated Anodyne C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O ZINC000238773054 FE Annotated Mild CC(=O)O[C@@H]1C[C@H](c2ccccc2)OC2=C1C(=O)C(C)(C)[C@@H](O)[C@@]2(C)O ZINC000238773220 FE Annotated Mild COC(=O)[C@@H]1C[C@]23CCC=[N+]4C(=O)C[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000238773222 FE Annotated Anodyne CN1CC[C@]23C(=O)C[C@H]4C(=CCOC5=CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 ZINC000238773470 FE Annotated Anodyne C[C@]12CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]1CC[C@]13C[C@H](CC[C@@H]12)[C@](O)(CO)C3 ZINC000238773488 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238773734 FE Annotated Anodyne COc1c(O)c(OC)c2c(c1OC)C(=O)c1cc(OC(C)=O)ccc1C2=O ZINC000238773821 FE Annotated Clean CC[C@@H]1C[C@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O ZINC000238774068 FE Annotated Mild C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000238774156 FE Annotated Mild CC1(C)Oc2ccc([C@H]3COc4cc(O)cc(O)c4C3=O)c(O)c2C[C@@H]1O ZINC000238774365 FE Annotated Anodyne CCO[C@H]1CO[C@@H]2Oc3cc(OC)c4c5c(c(=O)oc4c3[C@H]12)C(=O)CC5 ZINC000238774383 FE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OCCC(C)C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000238774701 FE Annotated Reactive C[C@@H]1C[C@@H](O)[C@]23COC(=O)[C@@]1(C[C@H](O)c1ccoc1)[C@H]2CCC[C@]31CO1 ZINC000238774702 FE Annotated Anodyne C/C(=C/CC[C@@]12O[C@@H](CC/C(C)=C\CO)[C@@](C)(CC[C@@H]1O)OC2=O)CO ZINC000238774819 FE Annotated Anodyne CC(=O)N1c2c(ccc(O)c2O)[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13 ZINC000238775218 FE Annotated Clean COC1=C[C@]23CCN(C)[C@H](CCc4cc5c(c(OC)c42)OCO5)C3=CC1=O ZINC000238775227 FE Annotated Mild C[C@]1([C@H]2C[C@H](c3ccoc3)OC2=O)C[C@H]2OC(=O)C3=CCC[C@@](O)(O1)[C@]32C ZINC000238775270 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H]2O[C@]23C[C@]2(O)OC(=O)C(C)=C2C[C@]3(C)[C@H]1C ZINC000238775396 FE Annotated Anodyne C=C1CO[C@@H]2/C=C(\C)CC[C@H](O)[C@](C)(O)C/C=C\[C@](C)(O)CC[C@]12O ZINC000238775414 FE Annotated Mild C=C1CO[C@@H]2/C=C(/C)CC[C@H](O)[C@](C)(O)C/C=C\[C@](C)(O)CC[C@]12O ZINC000238775428 FE Annotated Mild C=C1CO[C@@H]2/C=C(\C)CC[C@H](O)[C@](C)(O)C/C=C/[C@](C)(O)CC[C@]12O ZINC000238775441 FE Annotated Mild C=C1CO[C@@H]2/C=C(/C)CC[C@H](O)[C@](C)(O)C/C=C/[C@](C)(O)CC[C@]12O ZINC000238775452 FE Annotated Mild C[C@]12CC/C(=C3/C[C@H](c4ccoc4)OC3=O)C[C@@]1(O)CC[C@@H](O)[C@]2(C)O ZINC000238775531 FE Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](O)CC(=O)[C@@]3(COC(=O)CC(C)C)C[C@H]12 ZINC000238775846 FE Annotated Mild COC(=O)[C@@]12CC[C@]34CCCN5C[C@H](C(=O)C3)[C@]1(c1ccccc1N2)[C@H]54 ZINC000238775942 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H](O)/C(C)=C/CC[C@H](CO)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238776298 FE Annotated Mild CC(=O)OC/C=C(\C)C[C@@H](O)/C=C(\C)[C@H](O)C/C=C(\C)COC(C)=O ZINC000238776449 FE Annotated Anodyne C/C(=C\CO)CC/C=C(\CO)CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 ZINC000238776490 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21COC(=O)[C@H](C)CC ZINC000238776594 FE Annotated Mild O=C1OCC([C@H](O)c2ccc3c(c2)OCO3)=C1Cc1ccc2c(c1)OCO2 ZINC000238776632 FE Annotated Anodyne CO[C@@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](CO)[C@@H]4CO)ccc2[C@H]1OC ZINC000238776694 FE Annotated Anodyne C[C@@H]1OC=C(C(=O)O)[C@H]2Cc3c4[nH]c5ccc(O)cc5c4cc[n+]3C[C@@H]12 ZINC000238776730 FE Annotated Anodyne CC(C)[C@H]1[C@@H](O)C(=O)C2=C(O)C3=C(C(=O)O)[C@@H](O)CC[C@@]3(C)CC[C@@]21C ZINC000238776839 FE Annotated Mild CC(=O)OCC1=CO[C@H](OC(C)=O)[C@H]2[C@H](C=O)CC[C@H]3[C@@H]([C@@H]12)C3(C)C ZINC000238777113 FE Annotated Mild CC(=O)N1C=C([C@@H]2[C@@H]3C[C@@H](CN4CC[C@H](O)C[C@@H]34)[C@H]3CCCCN23)CCC1 ZINC000238777320 FE Annotated Anodyne C[C@]1(C(=O)O)C[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@@]4(O)CO ZINC000238777378 FE Annotated Anodyne C[C@@]12CCCC(CO)(CO)[C@H]1CC[C@H](C=O)[C@H]2CCC1=CCOC1=O ZINC000238777422 FE Annotated Mild CC(C)(C(=O)O)[C@H]1CC[C@@]23OC(=O)[C@@](C)(CC[C@H]2[C@]1(C)CC(=O)O)[C@H]3O ZINC000238777610 FE Annotated Anodyne C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 ZINC000238778271 FE Annotated Mild COC(=O)C1=CO[C@@H](C)[C@@H]2CCN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3[C@H]12 ZINC000238778430 FE Annotated Anodyne COC(=O)[C@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@H]43 ZINC000238778443 FE Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000238778711 FE Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@]2(O)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238778762 FE Annotated Mild COc1cc2oc(C)cc(=O)c2c(O)c1COC(=O)/C=C(\C)CC(=O)O ZINC000238778773 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@]2(C)C=CC(=O)C2=C(C)C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000238778897 FE Annotated Mild CC(=O)O[C@H](CCCCC[C@H](O)[C@H](O)CCCCCCO)CC(=O)O ZINC000238778933 FE Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](O)CO[C@@H](OC(=O)[C@H](C)CC)[C@@]3(C)C[C@H]12 ZINC000238778938 FE Annotated Mild COC[C@@]1(O)CC[C@@H]2C1=C[C@]1(O)C(=C(C(C)C)C(=O)[C@H]1C)C[C@H](O)[C@@H]2C ZINC000238779378 FE Annotated Mild CC1=C2[C@@H](OC(=O)C(C)C)[C@]3(C)[C@@H](C)CCC[C@]3(O)C[C@]2(O)OC1=O ZINC000238779483 FE Annotated Anodyne CCCCc1cc(O)cc2c1C(=O)C[C@@](O)(Cc1cc(O)cc(=O)o1)O2 ZINC000238779536 FE Annotated Anodyne C[C@@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@H](CO)[C@@]13C[C@@H](CC[C@@H]21)[C@@](C)(O)C3 ZINC000238779796 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@H](O)[C@H](C)[C@]21C ZINC000238780106 FE Annotated Anodyne C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(C=O)C(=O)OC ZINC000238780309 FE Annotated Mild C[C@@H]1CCC[C@@H]2O[C@H]2COc2ccc(cc2)C[C@@H]2NC(=O)/C(=C\1O)C2=O ZINC000238780380 FE Annotated Mild O=C1CC[C@@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@H](O)CC5=O ZINC000238780532 FE Annotated Anodyne C[C@@H]1CC(=O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CCC[C@]3(O)CO ZINC000238780544 FE Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC(=O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 ZINC000238780603 FE Annotated Anodyne COC(=O)C1=C2Nc3cc(O)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000238780830 FE Annotated Anodyne C/C=C1/C[N+]2([O-])CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@H]1CC2 ZINC000238780919 FE Annotated Bother C/C=C1/CN2CC[C@]34C(=O)[C@H]2C[C@@H]1[C@]3(C(=O)OC)C=Nc1ccccc14 ZINC000238781092 FE Annotated Anodyne C=CC[C@]12C=C(OC)[C@H](O)[C@](OC)([C@@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O ZINC000238781118 FE Annotated Mild C/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC(OC)=CC(=O)O1 ZINC000238781208 FE Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@@]12O ZINC000238781256 FE Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3[C@H](O)[C@]2(C)[C@H]1C ZINC000238781570 FE Annotated Anodyne C[C@@H]1CO[C@@H]2C3=C(C(=O)C=CC3=O)[C@@H]3OC(=O)[C@@H]4CC[C@H]5[C@H]1CC[C@]25[C@@H]43 ZINC000238781900 FE Annotated Mild CC(=O)OCC1=CC[C@@H](OC(C)=O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000238781912 FE Annotated Anodyne O[C@]1(Cc2ccc3c(c2)OCO3)COC[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000238782035 FE Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCC3=CC(=O)O[C@H]3O)CO2)CO1 ZINC000238782133 FE Annotated Anodyne C[C@]12CC/C(=C3/C[C@@H](c4ccoc4)OC3=O)C[C@@]1(O)CC[C@@H](O)[C@]2(C)O ZINC000238782324 FE Annotated Anodyne C[C@@]12C3=CC=C[C@@H]1[C@@]1(C)C[C@@H](c4ccoc4)OC(=O)[C@]1(O)C[C@@H]2OC3=O ZINC000238782410 FE Annotated Anodyne C=C1CC[C@@H](C(C)(C)O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C[C@H]2[C@@H](C)CC[C@@H]12 ZINC000238782928 FE Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CO)[C@H](CC[C@@H]21)C3 ZINC000238782963 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3(O)OC(=O)C(C)=C3[C@@H]3OC[C@@H]1[C@]23C ZINC000238783290 FE Annotated Anodyne CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C[C@H](C)C(=O)/C=C/[C@@]1(C)O ZINC000238783314 FE Annotated Mild C[C@@H]1CC[C@@]23[C@@H](O)O[C@H]4C[C@@]2(OC(=O)[C@]43C)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238783419 FE Annotated Anodyne C=C1CC[C@]2(C)[C@@](C)(O)[C@H](O)CC[C@]2(O)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238783469 FE Annotated Mild C/C=C(\C)C(=O)O[C@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CCC[C@H]12)C(C)C ZINC000238783649 FE Annotated Anodyne CCCC/C=C\N(NC(C)=O)C(=O)[C@H](CO)/N=[N+](/[O-])CCCCCC ZINC000238783824 FE Annotated Reactive C[C@]1([C@@H]2C[C@H](c3ccoc3)OC2=O)C[C@H]2OC(=O)C3=CCC[C@@](O)(O1)[C@]32C ZINC000238784579 FE Annotated Anodyne CC1=CC(=O)O[C@H](/C=C(\C)[C@H](O)C[C@@H](O)[C@H](C)C2=CC(=O)C(C)(C)O2)C1 ZINC000238785027 FE Annotated Mild O=CN1c2ccccc2[C@@]23CC[N+]4([O-])CCC[C@]5(CC[C@]12[C@H](C(=O)O)C5)[C@@H]34 ZINC000238785661 FE Annotated Bother C=C1CO[C@@H]2/C=C(\C)CC[C@H](O)[C@](C)(O)C/C=C\[C@@](C)(O)CC[C@]12O ZINC000238785967 FE Annotated Mild C=C1CO[C@@H]2/C=C(/C)CC[C@H](O)[C@](C)(O)C/C=C\[C@@](C)(O)CC[C@]12O ZINC000238785970 FE Annotated Mild C=C1CO[C@@H]2/C=C(\C)CC[C@H](O)[C@](C)(O)C/C=C/[C@@](C)(O)CC[C@]12O ZINC000238785972 FE Annotated Mild C=C1CO[C@@H]2/C=C(/C)CC[C@H](O)[C@](C)(O)C/C=C/[C@@](C)(O)CC[C@]12O ZINC000238785975 FE Annotated Mild Oc1ccc([C@@H]2OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@]23O)cc1O ZINC000238786076 FE Annotated Clean COC(=O)[C@]1(OC)OC(=O)C(c2ccc(O)cc2)=C1c1ccc(O)cc1 ZINC000238786165 FE Annotated Anodyne CC(C)=C[C@H]1O[C@@]23C(=O)C=CC(=O)C2=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@@]3(C)C1=O ZINC000238786245 FE Annotated Mild C[C@]12C[C@H]3OC(=O)[C@H]4CCC[C@@](O[C@H]5[C@H](c6ccoc6)OC(=O)[C@H]51)(O2)[C@]43C ZINC000238786994 FE Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]13C[C@@H](O)CC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O ZINC000238787044 FE Annotated Clean CC(C)[C@@H]1[C@@H]2C/C(=C\C[C@H](O)[C@H](C)C[C@@H]1OC(=O)[C@H](C)[C@@H](C)O)C(=O)O2 ZINC000238787108 FE Annotated Anodyne Oc1ccc([C@@H]2OC[C@]3(O)[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O ZINC000238787116 FE Annotated Clean COc1c2c3c(c(OC)c1OC)-c1ccccc1[C@H]1C(=O)C(=O)N(CC2)[C@H]31 ZINC000238787161 FE Annotated Anodyne COc1cc(O)c2c(c1)OC[C@]1(Cc3c1cc(OC)c(OC)c3OC)C2=O ZINC000238787264 FE Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=Nc1ccccc14)[C@@H]1C[C@H]2[C@@H](C=O)[C@H](C)[N+]13[O-] ZINC000238788503 FE Annotated Mild C=C1CC[C@]2(O)[C@H](/C=C(\C)CC[C@H]3O[C@@]3(C)CC[C@@H]1O)OC[C@]2(C)O ZINC000238788505 FE Annotated Mild O=CN1c2ccccc2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@H](C(=O)O)C5)[C@H]43 ZINC000238788547 FE Annotated Anodyne COC(=O)c1c(O)ccc2oc3cc(COC(C)=O)cc(O)c3c(=O)c12 ZINC000238788692 FE Annotated Bother CC(=O)N1c2c(O)cccc2[C@]23CC[N+]4=C2[C@](CC(=O)O)(CCC4)CC[C@H]13 ZINC000238788735 FE Annotated Anodyne C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(OC)C[C@@H]1[C@H]5C(=O)OC ZINC000238788738 FE 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(=O)OC3=C[C@]12O ZINC000238788744 FE Annotated Anodyne CC(C)[C@@H]1[C@@H]2C/C(=C\C[C@@H](O)[C@H](C)C[C@@H]1OC(=O)[C@H](C)[C@@H](C)O)C(=O)O2 ZINC000238788808 FE Annotated Anodyne Oc1ccc([C@@H]2OC[C@]3(O)[C@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1O ZINC000238788814 FE Annotated Clean CC(=O)OCC[C@H](/C=C/C=C\C#CC#C/C=C/CO)OC(=O)C=C(C)C ZINC000238788897 FE Annotated Mild COc1cc([C@@H]2OC[C@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@@]23O)ccc1O ZINC000238788919 FE Annotated Anodyne CC(C)[C@@H]1[C@@H]2C/C(=C\CC(=O)[C@H](C)C[C@@H]1OC(=O)[C@H](C)[C@@H](C)O)C(=O)O2 ZINC000238789059 FE Annotated Anodyne C[C@H](/C=C\[C@@](C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C ZINC000238789468 FE Annotated Anodyne CC(=O)O[C@@H]1[C@H]2[C@H]3C[C@H]4C5=Nc6ccccc6[C@]51C[C@@H]2[N+]4([O-])[C@@H](C)[C@@H]3CO ZINC000238789765 FE Annotated Bother CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000248258785 FE Annotated Anodyne CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000249808311 FE Annotated Anodyne CCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000249808317 FE Annotated Anodyne CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CCC(=O)OCC)nc2n1 ZINC000002500169 FE Annotated Anodyne CC(=O)N[C@H]1CCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000002500237 FE Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000002500238 FE Annotated Anodyne COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN(C)C ZINC000002501588 FE Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@H]3C[C@@H]12 ZINC000002510835 FE Annotated Anodyne Cc1ccc2nc(CSc3nnc(-c4ccncc4)n3C)cc(=O)n2c1 ZINC000002629134 FE Annotated Anodyne O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)NC1CC1 ZINC000002633838 FE Annotated Anodyne O=C1c2ccccc2C(=O)N1c1nc2nc(-c3ccccc3)cc(O)n2n1 ZINC000002849339 FE Annotated Anodyne COC(=O)N[C@H]1CSC[C@H]1OC(=O)c1ccc(Br)cc1 ZINC000002855806 FE Annotated Anodyne COC(=O)N[C@@H]1CSC[C@H]1OC(=O)c1ccc(Br)cc1 ZINC000002855807 FE Annotated Anodyne COC(=O)N[C@H]1CSC[C@@H]1OC(=O)c1ccc(Br)cc1 ZINC000002855808 FE Annotated Anodyne COC(=O)N[C@@H]1CSC[C@@H]1OC(=O)c1ccc(Br)cc1 ZINC000002855809 FE Annotated Anodyne O=C(NC1CCC(NC(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F ZINC000002902988 FE Annotated Mild COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1OC ZINC000002904186 FE Annotated Anodyne COCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1OC ZINC000002904187 FE Annotated Anodyne CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(=O)c2ccccc21 ZINC000002923214 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc2c1CCCC2 ZINC000002940223 FE Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CC=C(c2ccccc2)CC1 ZINC000002940252 FE Annotated Anodyne CCCCN(C)CCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000002941333 FE Annotated Anodyne CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCCCCC2)C1=O ZINC000002943586 FE Annotated Anodyne CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCCCCC2)C1=O ZINC000002943588 FE Annotated Anodyne O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1cccs1 ZINC000002952425 FE Annotated Anodyne CC(C)CC/N=C(\O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000002952632 FE Annotated Mild CC(C)CC/N=C(\O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000002952633 FE Annotated Mild N#CCSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCCC1 ZINC000002974009 FE Annotated Mild O=C(NC1CCCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250105333 FE Annotated Anodyne O=C(NC1CCCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250105338 FE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250557191 FE Annotated Anodyne CCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250557194 FE Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000250575216 FE Annotated Anodyne CC(C)COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000250575225 FE Annotated Anodyne CC(C)CCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250601675 FE Annotated Anodyne CC(C)CCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250601676 FE Annotated Anodyne CC(C)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250762939 FE Annotated Anodyne CC(C)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250762941 FE Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)C(C)C)[C@H](C(=C)C(=O)OC)[C@H](O)[C@@H]1C(=C)CO ZINC000252463613 FE Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)C(C)C)[C@H](C(=C)C(=O)OC)[C@@H](O)[C@@H]1C(=C)CO ZINC000252463614 FE Annotated Mild Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@H](F)[C@H]2F)c(O)nc1=O ZINC000253634539 FE Annotated Anodyne Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](F)[C@H]2F)c(O)nc1=O ZINC000253634540 FE Annotated Anodyne Cc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@H](F)[C@@H]2F)c(O)nc1=O ZINC000253634541 FE Annotated Anodyne COc1cc(NN=C2CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 ZINC000253634637 FE Annotated Mild COc1cc(NN=C2CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 ZINC000253634639 FE Annotated Mild O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 ZINC000253637689 FE Annotated Mild O=C(Nc1ccc(Br)cc1)C1=C(O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 ZINC000253637691 FE Annotated Mild O=[N+]([O-])c1ccc(C=c2nc(O)c(=Cc3ccc(Cl)cc3)nc2O)cc1 ZINC000253637998 FE Annotated Bother Nc1[nH]cnc2c(CN3C[C@@H](O)[C@H](CSCc4ccccc4)C3)cnc1-2 ZINC000253638122 FE Annotated Anodyne O=C(OC[C@@H]1C=C[C@H](n2ccc(O)nc2=O)O1)[C@@]12C[C@@H]3CCC[C@H](C1)[C@H]3C2 ZINC000253639351 FE Annotated Anodyne O=C(OC[C@@H]1C=C[C@@H](n2ccc(O)nc2=O)O1)[C@@]12C[C@@H]3CCC[C@H](C1)[C@H]3C2 ZINC000253639352 FE Annotated Anodyne O=C(OC[C@@H]1C=C[C@H](n2ccc(O)nc2=O)O1)C12CC3[C@H](CCC[C@@H]3C1)C2 ZINC000253639356 FE Annotated Anodyne COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1C2=NNC(N)=S ZINC000253650544 FE Annotated Mild C/C=C1/C[N@@+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@@]4(CO)C(=O)OC ZINC000253664762 FE Annotated Bother C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@@]4(CO)C(=O)OC ZINC000253664773 FE Annotated Bother C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@]4(CO)C(=O)OC ZINC000253664777 FE Annotated Bother C/C=C1/C[N@@+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@H]1[C@]4(CO)C(=O)OC ZINC000253664785 FE Annotated Bother CNc1ccccc1C(=O)O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@H]1[C@H]5[C@@H]4[C@H]12 ZINC000253670953 FE Annotated Anodyne CNc1ccccc1C(=O)O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@]41OCCCN12 ZINC000253670956 FE Annotated Anodyne CNc1ccccc1C(=O)O[C@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@]3(OCCCN31)[C@@H]1[C@H]5[C@@H]4[C@H]12 ZINC000253670958 FE Annotated Anodyne CNc1ccccc1C(=O)O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@]1(OCCCN12)[C@H]53 ZINC000253670960 FE Annotated Anodyne C[C@@H]1CCC(=NNc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 ZINC000253690163 FE Annotated Mild C[C@H]1CCC(=NNc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 ZINC000253690169 FE Annotated Mild Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCC[C@H]1C(=O)O)C(C)(C)C2 ZINC000253696984 FE Annotated Clean O=[N+]([O-])c1ccccc1C=c1nc(O)c(=Cc2ccc(Cl)cc2)nc1O ZINC000253737952 FE Annotated Bother Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](O)[C@@H]2OC(=O)[C@H](O)[C@H]2O)cc1C ZINC000253776635 FE Annotated Anodyne C=C(C)[C@@H]1CC=C(CO[P@](=O)(O)OC[C@H](COC=O)OC=O)CC1 ZINC000253806771 FE Annotated Mild N[C@@H]1N=CNc2c(CN3C[C@H](O)[C@H](CSc4ccccc4)C3)c[nH]c21 ZINC000253837819 FE Annotated Anodyne N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@H](CSc4ccccc4)C3)c[nH]c21 ZINC000253837823 FE Annotated Anodyne N[C@@H]1N=CNc2c(CN3C[C@H](CSc4ccccc4)[C@@H](O)C3)c[nH]c21 ZINC000253837827 FE Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3NC(=S)N=C(N)[C@H]32)cc1 ZINC000253917908 FE Annotated Anodyne C[C@@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@H](O)C[C@@H]1O ZINC000253918644 FE Annotated Anodyne C[C@@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@H](O)C[C@H]1O ZINC000253918645 FE Annotated Anodyne C[C@@H]1O[C@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@H]1O ZINC000253918648 FE Annotated Anodyne O=C(CNC(=O)c1ccco1)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000253920452 FE Annotated Clean O=C(NN=Cc1ccc(N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000253928418 FE Annotated Reactive CO[C@@H]1CC[C@H](c2ccc([C@H]3C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000253930025 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc([C@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000253930028 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc([C@@H]3C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000253930031 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc(N3C[C@H](CNC(C)=O)CC3=O)cc2)CCC1=O ZINC000253930670 FE Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000253952969 FE Annotated Anodyne O=C(NC1CCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000253952971 FE Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@H]1OC(C)=O ZINC000253979184 FE Annotated Mild Cc1cc(N=Nc2ccccc2)c(NC[C@H](O)[C@H](O)[C@@H](O)CO)cc1C ZINC000253982907 FE Annotated Clean Cc1cc(N=Nc2ccccc2)c(NC[C@H](O)[C@@H](O)[C@@H](O)CO)cc1C ZINC000253982908 FE Annotated Clean Cc1cc(N=Nc2ccccc2)c(NC[C@H](O)[C@@H](O)[C@H](O)CO)cc1C ZINC000253982910 FE Annotated Clean COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N@+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000253995385 FE Annotated Bother COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCC[N@@+]4([O-])CCC[C@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000253995387 FE Annotated Bother COC1(C#C[C@@H]2C=C[C@@H](OC(C)=O)[C@H](COC(C)=O)O2)CCCCC1 ZINC000254010333 FE Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 ZINC000254010378 FE Annotated Bother COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 ZINC000254010392 FE Annotated Bother Cc1nnc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000254010971 FE Annotated Anodyne aggregator C[C@@H]1CCCC=C[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@H](O)C=CC(=O)O1 ZINC000254019958 FE Annotated Anodyne C[C@@H]1CCCC=C[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@@H](O)C=CC(=O)O1 ZINC000254019968 FE Annotated Anodyne C[C@@H]1CCCC=C[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)C=CC(=O)O1 ZINC000254019979 FE Annotated Anodyne C[C@@H]1CCCC=C[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)C=CC(=O)O1 ZINC000254019985 FE Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)NC[C@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000254046272 FE Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)NC[C@@H](O)CN2[C@H]1c1ccc(Br)cc1 ZINC000254046278 FE Annotated Anodyne CCC1=C(O)CC(O)=C([C@@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@H]3CCCC[C@@H]3N2C)C1 ZINC000254046638 FE Annotated Anodyne CCC1=C(O)CC(O)=C([C@@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@H]3CCCC[C@H]3N2C)C1 ZINC000254046640 FE Annotated Anodyne CCC1=C(O)CC(O)=C([C@@H]2NN[C@H](C)[C@@H]2[C@@H]2N[C@@H]3CCCC[C@H]3N2C)C1 ZINC000254046642 FE Annotated Anodyne OC(Cc1cccc(C=NN2CCOCC2)n1)(C(F)(F)F)C(F)(F)F ZINC000254096164 FE Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000254101050 FE Annotated Bother COC(=O)C1=C2Nc3ccccc3[C@]23CC[N@@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000254101053 FE Annotated Bother COc1ccc([C@@H]2NC3=C(CCCC3)[C@]3(C#N)C(=O)N=C(N)[C@]23C#N)cc1 ZINC000254113748 FE Annotated Mild COc1ccc([C@@H]2C(=O)[C@@H](Cl)N2Nc2nc(C)cc(O)n2)cc1OC ZINC000254200496 FE Annotated Reactive COc1ccc([C@H]2C(=O)[C@@H](Cl)N2Nc2nc(C)cc(O)n2)cc1OC ZINC000254200497 FE Annotated Reactive CC1(C)[C@H]2CC[C@@]13C(=O)[C@H]1O[C@@]3(C2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000254209954 FE Annotated Anodyne CC1(C)[C@H]2CC[C@@]13C(=O)[C@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000254209955 FE Annotated Anodyne CC1(C)[C@H]2CC[C@@]13C(=O)[C@H]1O[C@@]3(C2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000254209956 FE Annotated Anodyne CC1(C)[C@H]2CC[C@@]13C(=O)[C@H]1O[C@@]3(C2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000254209957 FE Annotated Anodyne CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(N=NN2CCCCC2)cc1 ZINC000254301502 FE Annotated Clean Cn1c(=NC(=O)CS(=O)(=O)c2ccc(F)cc2)sc2ccccc21 ZINC000254396167 FE Annotated Anodyne CCCCC(=O)NS(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 ZINC000254412478 FE Annotated Clean COCCn1c(=NC(=O)CSC(C)=O)sc2cc(OC)ccc21 ZINC000254413769 FE Annotated Anodyne CC(C)CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254497366 FE Annotated Mild CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C(C(=O)O)C(=O)O ZINC000254589293 FE Annotated Mild aggregator CCOC(=O)c1sc(=NC(=O)c2ccc(OC)c(OC)c2)n(C)c1C ZINC000254619180 FE Annotated Anodyne Cn1c(=NC(=O)CSCC(=O)N2CCCCC2)sc2ccccc21 ZINC000254632429 FE Annotated Anodyne CC(C)CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254644203 FE Annotated Mild CC(C)CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254644207 FE Annotated Mild CC(C)CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254644209 FE Annotated Mild COCCn1c(=NC(=O)c2ccco2)sc2cc(C(=O)OC)ccc21 ZINC000254702618 FE Annotated Anodyne CCOC(=O)c1sc(=NC(=O)c2ccc(C(=O)OC)cc2)n(C)c1C ZINC000254704008 FE Annotated Anodyne Cn1c(=NC(=O)CS(=O)(=O)c2ccccc2)sc2cc(F)ccc21 ZINC000254741162 FE Annotated Anodyne COc1cc(C=Nn2c(-c3[nH]nc4c3CCC4)n[nH]c2=S)ccc1O ZINC000254747153 FE Annotated Mild COc1cccc(C=Nn2nnnc2N)c1OCc1ccccc1Cl ZINC000254750683 FE Annotated Mild aggregator CCOC(=O)Cn1c(=NC(=O)CSC(C)=O)sc2cc(F)ccc21 ZINC000254822377 FE Annotated Anodyne O=C(NN=C/C=C/c1ccc2c(c1)OCO2)[C@@H]1COc2ccccc2O1 ZINC000254848274 FE Annotated Reactive aggregator O=C(NN=C/C=C/c1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1 ZINC000254848278 FE Annotated Reactive aggregator CCOC(=O)c1ccc(N=c2sc(C(=O)OC)cc(=O)n2C2CC2)cc1 ZINC000254876734 FE Annotated Anodyne CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)CN1CCCCC1 ZINC000025968246 FE Annotated Anodyne CC(C)CC(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](C)CN1CCCCC1 ZINC000025968251 FE Annotated Anodyne C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CC#N)OCO3 ZINC000025987620 FE Annotated Mild C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CC#N)OCO3 ZINC000025987630 FE Annotated Mild COCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@@H]1C)OCO3 ZINC000025988105 FE Annotated Anodyne COCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000025988112 FE Annotated Anodyne C=C1[C@H]2C[C@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000255201640 FE Annotated Mild C=C1[C@@H](O)[C@@]23C[C@@H]4[C@H]5N(CC)C[C@@]6(C)CC[C@H](O)[C@]5([C@H]46)[C@@H]2CC(=O)[C@@H]1C3 ZINC000255208663 FE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](OC)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@H]2O ZINC000255214183 FE Annotated Mild O=C1CC=C2[C@H]3C[C@H]4[C@@]5(CC[N@@+]4([O-])C/C3=C/CO)c3ccccc3N1[C@@H]25 ZINC000255221723 FE Annotated Bother in-vitro CCN1C[C@]2(C)CC=C[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O ZINC000255228407 FE Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@]4([C@@H](O)C[C@@H]5[C@]6(C)CCC[C@]5([C@@H]4C2)[C@@]32OCCN2C6)[C@@H]1O ZINC000255250801 FE Annotated Mild CC[C@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@@]45C[C@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000255267823 FE Annotated Anodyne C[C@@]12OC(=O)[C@]34CC[C@@H]5[C@@]6(C)CC[C@H](O)CC6=CC[C@]5(O)[C@]3(CC[C@@H]41)O2 ZINC000255271180 FE Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@@H](O6)N(CC)[C@H]15)[C@@H]3C[C@H]2O ZINC000255271624 FE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@@H](O6)N(CC)[C@H]15)[C@@H]3C[C@@H]2O ZINC000255271625 FE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@@H](O6)N(CC)[C@@H]15)[C@@H]3C[C@H]2O ZINC000255271626 FE Annotated Mild C[C@@H]1O[C@H](O[C@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255276241 FE Annotated Anodyne C[C@@H]1O[C@@H](O[C@@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)[C@@H](O)[C@@H](O)[C@H]1O ZINC000255276243 FE Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@]4([C@@H]3CC2=O)[C@@H]1[N@@+]([O-])(CC)C5 ZINC000255282870 FE Annotated Mild C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@]5(C)C=N[C@H]1[C@]4([C@@H](OC(C)=O)CC5)[C@@H]3[C@H]2O ZINC000255284370 FE Annotated Mild C=C1[C@H](O)[C@]23C[C@H]1C(=O)C[C@H]2[C@]12[C@@H]4CC[C@]5(C)[C@H]1C[C@H]3[C@H]2N(CC)[C@@H]5O4 ZINC000255285160 FE Annotated Mild CCC[N@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O ZINC000257199122 FE Annotated Bother Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000257201306 FE Annotated Anodyne Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000257201307 FE Annotated Anodyne CC(C)=CCN1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CCO ZINC000257371884 FE Annotated Anodyne CN1CCC(N2CCN(Cc3ccccc3Cl)C[C@H]2CCO)CC1 ZINC000257371921 FE Annotated Anodyne COc1ccc(CN2CCN(Cc3cc[nH]n3)C[C@H]2CCO)c(C)c1C ZINC000257372009 FE Annotated Anodyne CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@]1(C)[C@H]32 ZINC000257373954 FE Annotated Mild CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 ZINC000257373955 FE Annotated Mild CC[C@H](C)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@]1(C)[C@@H]32 ZINC000257373956 FE Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257374056 FE Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257374057 FE Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257374058 FE Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257374059 FE Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257402673 FE Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257402674 FE Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257402675 FE Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257402676 FE Annotated Mild COC1=C(OC)[C@@]23CCc4ccc(OC)c(OC)c4[C@]2(CCN3C)CC1=O ZINC000257411337 FE Annotated Mild CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@@H]4[C@H](C)OC[C@H]([C@H]4CC2=O)[C@@H]13 ZINC000257417202 FE Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN(C)C[C@@H]4[C@H](C)OC[C@H]([C@H]12)[C@H]4CC3=O ZINC000257417203 FE Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@@H]4[C@H](C)OC[C@@H]([C@H]4CC2=O)[C@@H]13 ZINC000257417204 FE Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN(C)C[C@@H]4[C@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O ZINC000257417205 FE Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@@H]21)[C@H](CO)C3 ZINC000257418753 FE Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@H]21)[C@H](CO)C3 ZINC000257418754 FE Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@@]13C[C@H](CO)[C@@H](CC[C@@H]21)C3 ZINC000257418755 FE Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@@]13C[C@H](CO)[C@@H](CC[C@H]21)C3 ZINC000257418756 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](O)[C@H](C)[C@@]21C)OC(=O)[C@H]3C ZINC000257421588 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@]23O[C@@]2(C[C@H]2CC[C@H](O)[C@H](C)[C@@]21C)OC(=O)[C@@H]3C ZINC000257421589 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000257421590 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000257421591 FE Annotated Anodyne C=C1[C@H](O)[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 ZINC000257430209 FE Annotated Mild C=C1[C@H](O)[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 ZINC000257430210 FE Annotated Mild C=C1[C@H](O)[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 ZINC000257430211 FE Annotated Mild C=C1[C@H](O)[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 ZINC000257430212 FE Annotated Mild C=C(C)[C@@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000257481789 FE Annotated Mild C=C(C)[C@@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000257481790 FE Annotated Mild C=C(C)[C@@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@]2(O)C(=O)C[C@H]3C1(C)C ZINC000257481791 FE Annotated Mild C=C(C)[C@@H]1C[C@]23C(=O)[C@H](C(=O)CC(C)C)C(=O)[C@@]2(O)C(=O)C[C@H]3C1(C)C ZINC000257481792 FE Annotated Mild CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@@]2(C)O[C@@H]2C)OC1=O ZINC000257487358 FE Annotated Anodyne CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@]2(C)O[C@H]2C)OC1=O ZINC000257487359 FE Annotated Anodyne CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@]2(C)O[C@@H]2C)OC1=O ZINC000257487360 FE Annotated Anodyne CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@@]2(C)O[C@H]2C)OC1=O ZINC000257487361 FE Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257512210 FE Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257512211 FE Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257512212 FE Annotated Mild C=C1C[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257512213 FE Annotated Mild CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@]23CO3)C1(C)C ZINC000257512598 FE Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@]23CO3)C1(C)C ZINC000257512599 FE Annotated Anodyne CC[C@@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000257531327 FE Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257567974 FE Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257567975 FE Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@H](C)[C@@]21C ZINC000257604058 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CCC(=O)[C@H](C)[C@]21C ZINC000257604059 FE Annotated Anodyne CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@]5(C)[C@H]2[C@@]43C ZINC000257604081 FE Annotated Anodyne CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@]5(C)[C@@H]2[C@]43C ZINC000257604082 FE Annotated Anodyne CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@]5(C)[C@@H]2[C@@]43C ZINC000257604083 FE Annotated Anodyne CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@@H]4C[C@@H]5OC(=O)C=C1[C@]5(C)[C@H]2[C@]43C ZINC000257604284 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@H]43 ZINC000257620475 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C=O)[C@@]15CC2)[C@H]43 ZINC000257620476 FE Annotated Anodyne C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]31C=O ZINC000257621168 FE Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]31C=O ZINC000257621169 FE Annotated Mild C=C1[C@H]2CC[C@H]3[C@@](C2)([C@@H](C(=O)O)[C@H]2[C@@](C)(C(=O)O)CCC[C@@]32C=O)[C@@H]1O ZINC000257621170 FE Annotated Mild C=C1[C@H]2CC[C@H]3[C@](C2)([C@@H]1O)[C@H](C(=O)O)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]31C=O ZINC000257621171 FE Annotated Mild C/C=C1\CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC ZINC000257622255 FE Annotated Anodyne C/C=C1\CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@]4(CO)C(=O)OC ZINC000257622256 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C ZINC000257694454 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C ZINC000257694455 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C ZINC000257694456 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C ZINC000257694457 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C ZINC000257694458 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C ZINC000257694459 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C ZINC000257694460 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C ZINC000257694461 FE Annotated Anodyne C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000257774413 FE Annotated Mild C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O ZINC000257774414 FE Annotated Mild C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@]12O[C@@H]1[C@H](O)C(CO)=CC2=O ZINC000257774415 FE Annotated Mild C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=CC2=O ZINC000257774416 FE Annotated Mild C/C=C1\CN[C@H]2C[C@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000257789045 FE Annotated Anodyne C/C=C1\CN[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000257789048 FE Annotated Anodyne COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000257799589 FE Annotated Anodyne COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000257799590 FE Annotated Anodyne COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000257799591 FE Annotated Anodyne COc1ccc(C=c2nc(O)c(=Cc3ccccc3)n(CC3CC3)c2=O)cc1 ZINC000257909868 FE Annotated Anodyne O=[S@@](Cc1ccccn1)c1nc2ccccc2n1CCN1CCOCC1 ZINC000026006010 FE Annotated Anodyne O=[S@](Cc1ccccn1)c1nc2ccccc2n1CCN1CCOCC1 ZINC000026006018 FE Annotated Anodyne CCC/C=C(\NC(=O)[C@@H]1CC1(Br)Br)C(=O)O ZINC000026020527 FE Annotated Anodyne CCC/C=C(\NC(=O)[C@H]1CC1(Br)Br)C(=O)O ZINC000026020533 FE Annotated Anodyne Cc1cc(F)cc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000026152239 FE Annotated Mild CCc1cc(C#N)cc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000026152946 FE Annotated Mild O=C(O)CCCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12 ZINC000026153114 FE Annotated Clean COc1ccc2nc3c(c(C)nn3[C@H]3CNC[C@@H](CO)O3)c(Cl)c2c1 ZINC000026154534 FE Annotated Anodyne COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCC(OC)CC1 ZINC000026155518 FE Annotated Anodyne COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCC(OC)CC1 ZINC000026155524 FE Annotated Anodyne NC(N)=Nc1nc(C(=O)Nc2nc3cc(F)cc(F)c3s2)cs1 ZINC000026156028 FE Annotated Mild Cc1c(F)ccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000026156889 FE Annotated Mild COc1ccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc2c1C ZINC000026156897 FE Annotated Mild C[C@H]1C[C@@H](S(=O)(=O)c2ccccc2)[C@@]2(OCCC[C@H]2C)O[C@@H]1CO ZINC000026158113 FE Annotated Anodyne Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCC[C@@H]1C(=O)O)C(C)(C)C2 ZINC000026161281 FE Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)O)C(C)(C)C2 ZINC000026161289 FE Annotated Clean O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1ccc(NCCO)nc1 ZINC000026174925 FE Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\OCC(=O)N(C)C)c2ccccc2)cc1 ZINC000026180874 FE Annotated Mild CCN(CC)CCn1c2cc(O)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026263694 FE Annotated Bother CCN(CC)CCn1c2cc(OC)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026264249 FE Annotated Bother CCn1c2cc(N3CCC(O)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026272338 FE Annotated Bother CN1C[C@@H](CCN2CCC2)Oc2ncc(Br)cc2C1=S ZINC000026280080 FE Annotated Anodyne CN1C[C@H](CCN2CCC2)Oc2ncc(Br)cc2C1=S ZINC000026280083 FE Annotated Anodyne CC(C)C[C@@H](N)C(=O)N[C@@H](C12CC3CC(CC(C3)C1)C2)P(=O)(O)O ZINC000026291824 FE Annotated Anodyne CC(C)C[C@H](N)C(=O)N[C@@H](C12CC3CC(CC(C3)C1)C2)P(=O)(O)O ZINC000026291829 FE Annotated Anodyne CC(C)C[C@@H](N)C(=O)N[C@H](C12CC3CC(CC(C3)C1)C2)P(=O)(O)O ZINC000026291833 FE Annotated Anodyne CC(C)C[C@H](N)C(=O)N[C@H](C12CC3CC(CC(C3)C1)C2)P(=O)(O)O ZINC000026291837 FE Annotated Anodyne N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000026375872 FE Annotated Anodyne CCOC(=O)c1c(NCCCN(C)C)c2ccc(C)nc2n(CC)c1=O ZINC000026377731 FE Annotated Anodyne CCOC(=O)c1c(N(C(C)=O)C(C)=O)c2c(C)cc(C)nc2n(CC)c1=O ZINC000026377951 FE Annotated Anodyne Nc1ccc2c3c(cccc13)C(=O)N(CCCn1ccnc1[N+](=O)[O-])C2=O ZINC000026382130 FE Annotated Bother CCOC(=O)c1c(NC(=O)C(F)(F)F)c2cccnc2n(CC)c1=O ZINC000026383834 FE Annotated Anodyne COC(=O)n1c2cc(OC)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026388801 FE Annotated Anodyne C[C@@H]1CO[C@](Cn2cncn2)(c2ccc(F)cc2F)C(C)(C)S1(=O)=O ZINC000026401336 FE Annotated Anodyne C[C@H]1CO[C@](Cn2cncn2)(c2ccc(F)cc2F)C(C)(C)S1(=O)=O ZINC000026401340 FE Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)[C@@H](N)CCCCN)CC[C@](C)(CO)O2 ZINC000026491116 FE Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)[C@@H](N)CCCCN)CC[C@@](C)(CO)O2 ZINC000026491120 FE Annotated Anodyne C[C@H]1C(COc2ccc3ccccc3c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026491789 FE Annotated Anodyne C#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC1(C3)OCCO1 ZINC000026494149 FE Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@H](O)C[C@@H]2C/C(=C/COCC(=O)O)C[C@H]21 ZINC000261074705 FE Annotated Mild in-vitro CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@H](O)C[C@@H]2C/C(=C\COCC(=O)O)C[C@H]21 ZINC000261074708 FE Annotated Mild in-vitro CSc1ncc2c(n1)-c1c(c(C(N)=O)cn1[C@@H]1CC[C@H](N)CC1)CC2 ZINC000261081081 FE Annotated Anodyne C[C@H](C(=O)N=c1sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000261083574 FE Annotated Anodyne C[C@H](C(=O)N=c1sc2ccccc2n1C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000261083575 FE Annotated Anodyne C[C@H](C(=O)N=c1sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000261083576 FE Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(CS(C)(=O)=O)c2cn1)c1ccccc1 ZINC000261101706 FE Annotated Anodyne NC(N)=NC(=O)N1CCc2c(Cl)ccc(-c3c(F)cncc3F)c2C1 ZINC000261102336 FE Annotated Mild CC1=NN(C)[C@@H]2C(=O)N(c3ccc(=O)n(C)c3)[C@@H](c3ccc(Cl)cc3)[C@H]12 ZINC000261106363 FE Annotated Anodyne CC1=NN(C)[C@@H]2C(=O)N(c3ccc(=O)n(C)c3)[C@H](c3ccc(Cl)cc3)[C@H]12 ZINC000261106367 FE Annotated Anodyne CC1=NN(C)[C@@H]2C(=O)N(c3ccc(=O)n(C)c3)[C@H](c3ccc(Cl)cc3)[C@@H]12 ZINC000261106371 FE Annotated Anodyne CC1=NN(C)[C@@H]2C(=O)N(c3ccc(=O)n(C)c3)[C@@H](c3ccc(Cl)cc3)[C@@H]12 ZINC000261106374 FE Annotated Anodyne O[C@@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1COC1 ZINC000261116127 FE Annotated Anodyne O[C@H](CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1COC1 ZINC000261116130 FE Annotated Anodyne Cc1cc(C)cc(-n2ncc(NCCN3CCOCC3)c(Cl)c2=O)c1 ZINC000261142763 FE Annotated Anodyne COc1ccc(Cn2c3nc(=O)nc(O)c-3nc3ccccc32)cc1OC ZINC000261152752 FE Annotated Bother Cc1ccc(C)c(-n2ncc(NCCN3CCOCC3)c(Cl)c2=O)c1 ZINC000261154280 FE Annotated Anodyne C[C@H]1N=CC([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)=N1 ZINC000261167809 FE Annotated Anodyne C[C@@H]1N=CC([C@H]2C[C@@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)=N1 ZINC000261167810 FE Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nnco3)C[C@@H]2CS1 ZINC000261176983 FE Annotated Anodyne COCCNC(=O)Nc1cc2[nH]nc(-c3cc(C)nc(OC)c3)c2cn1 ZINC000261179288 FE Annotated Anodyne COc1cccc(Cn2c3nc(=O)nc(O)c-3nc3ccccc32)c1OC ZINC000261181539 FE Annotated Bother COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@H]23)C1=O ZINC000261186336 FE Annotated Mild COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@@H]23)C1=O ZINC000261186337 FE Annotated Mild COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@@H]32)C1=O ZINC000261186338 FE Annotated Mild C[C@@H]1[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H](C(O)O)[C@H](C)[C@@H]1C ZINC000261515184 FE Annotated Anodyne in-man C[C@@H]1[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H](C(O)O)[C@@H](C)[C@@H]1C ZINC000261515185 FE Annotated Anodyne in-man C[C@@H]1[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H](C(O)O)[C@@H](C)[C@H]1C ZINC000261515186 FE Annotated Anodyne in-man C[C@@H]1[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H](C(O)O)[C@H](C)[C@H]1C ZINC000261515187 FE Annotated Anodyne in-man COc1cc(C)ccc1S(=O)(=O)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000263590290 FE Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 ZINC000263590291 FE Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1 ZINC000263590295 FE Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1 ZINC000263590296 FE Annotated Anodyne COc1ccc(CN2CN3Cc4cc(OC)ccc4[C@H]3CS2(=O)=O)cc1 ZINC000263590474 FE Annotated Anodyne COc1ccc(CN2CN3Cc4cc(F)ccc4[C@H]3CS2(=O)=O)cc1 ZINC000263590560 FE Annotated Anodyne O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccn1 ZINC000263590854 FE Annotated Anodyne COc1ccc(CN2CN3CCc4ccccc4[C@H]3CS2(=O)=O)cc1 ZINC000263591017 FE Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OC)C(=O)CCCCCC=C1C(=O)OC ZINC000263591141 FE Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OC)C(=O)CCCCCC=C1C(=O)OC ZINC000263591142 FE Annotated Anodyne COC1=C/C(=C/NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@H]23)C=CC1=O ZINC000263591767 FE Annotated Mild COC1=C/C(=C/NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@@H]23)C=CC1=O ZINC000263591768 FE Annotated Mild COC1=C/C(=C/NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@@H]32)C=CC1=O ZINC000263591769 FE Annotated Mild COC1=C/C(=C/NNC(=S)N[C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@H]32)C=CC1=O ZINC000263591770 FE Annotated Mild COCCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]2N1C ZINC000263591781 FE Annotated Anodyne COCCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]2N1C ZINC000263591782 FE Annotated Anodyne O=C(O)C1=CC(=Nc2cc(Cl)c3c(c2[N+](=O)[O-])NON3)C=CC1=O ZINC000263591804 FE Annotated Mild COc1cccc(CN=c2c([N+](=O)[O-])nn(-c3ccccc3C)n2O)c1 ZINC000263591972 FE Annotated Bother COc1ccc(-n2nc([N+](=O)[O-])c(=NCCc3cccc(C)c3)n2O)cc1 ZINC000263591999 FE Annotated Bother COc1ccc(-n2nc([N+](=O)[O-])c(=NCCc3ccc(C)cc3)n2O)cc1 ZINC000263592022 FE Annotated Bother CN=c1scc(C)n1N/C=C1\C=C(Br)C(=O)C(OC)=C1 ZINC000263592065 FE Annotated Mild COC(=O)Cn1ncc(N2[C@H]3C[C@@H](CC(C)(C)C3)[C@@H]2C)c(Cl)c1=O ZINC000263592218 FE Annotated Anodyne O=C(O)CCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCCCO ZINC000263614407 FE Annotated Anodyne CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@H]4[C@@H](N)[C@H]4C3)c2c1Cl ZINC000263621319 FE Annotated Anodyne in-vitro C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@]4(CO)C(=O)OC ZINC000263638837 FE Annotated Anodyne C/C=C1/CN[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000263639144 FE Annotated Anodyne C/C=C1/CN[C@H]2C[C@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000263639145 FE Annotated Anodyne CC(C)C[C@@H](CN)CC(=O)OCCOC(=O)CC1(CN)CCCCC1 ZINC000026567405 FE Annotated Anodyne COC1=C[C@@H]2[C@@H](O)CCCN2C(C)(C)[C@H]1n1cnc2ccccc2c1=O ZINC000026576308 FE Annotated Anodyne O=C(O)CCc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000026578596 FE Annotated Anodyne COc1ccc(S(=O)(=O)N(CC(C)=O)Cc2ccco2)cc1OC ZINC000026579340 FE Annotated Anodyne CC(=O)N[C@H]1c2cc(Br)c([N+](=O)[O-])cc2OC(C)(C)[C@H]1O ZINC000026636906 FE Annotated Bother CC(=O)N[C@@H]1c2cc(Br)c([N+](=O)[O-])cc2OC(C)(C)[C@H]1O ZINC000026636912 FE Annotated Bother CCOC(=O)c1nc(O)c2cc3cc(OC)c(OC)c(OC)c3nc2n1 ZINC000026639695 FE Annotated Bother COc1cc2cc(CO)c(CO)c(C3=CCN(C)C(=O)C3)c2cc1OC ZINC000026648792 FE Annotated Anodyne COc1cc2cc(CO)c(CO)cc2c([C@@H]2C=CCC(=O)N2C)c1OC ZINC000026649701 FE Annotated Anodyne COc1cc2cc(CO)c(CO)cc2c([C@H]2C=CCC(=O)N2C)c1OC ZINC000026649706 FE Annotated Anodyne CCCC(=O)NC(CC(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC ZINC000026652977 FE Annotated Anodyne O=C(OCC[C@@H]1COc2cc(O)c(O)cc2C1)c1ccc(O)c(O)c1O ZINC000026665532 FE Annotated Clean O=C(OCC[C@H]1COc2cc(O)c(O)cc2C1)c1ccc(O)c(O)c1O ZINC000026665537 FE Annotated Clean CCCc1csc(SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)n1 ZINC000026668157 FE Annotated Anodyne CNc1cc(N2CCCNCC2)ccc1S(=O)(=O)c1ccc(F)cc1 ZINC000026673123 FE Annotated Anodyne Cc1nc(SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)sc1C ZINC000026720243 FE Annotated Anodyne O=C1CCCCN1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(CF)(CF)[C@H]1O ZINC000026724589 FE Annotated Bother COC(=O)Cn1c(=O)c(O)nc2cc(C(F)(F)F)c(-n3cccc3)cc21 ZINC000026726068 FE Annotated Anodyne N#CN[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000026742828 FE Annotated Bother CO[C@@H]1CC[C@@H](c2ccc(C3=C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026751687 FE Annotated Anodyne CO[C@H]1CC[C@@H](c2ccc(C3=C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026751692 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc(C3=C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026751697 FE Annotated Anodyne CO[C@H]1CC[C@H](c2ccc(C3=C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026751702 FE Annotated Anodyne CO[C@@H]1CC[C@@H](c2ccc(N3C[C@@H](CNC(C)=O)CC3=O)cc2)CCC1=O ZINC000026753215 FE Annotated Anodyne CO[C@H]1CC[C@@H](c2ccc(N3C[C@@H](CNC(C)=O)CC3=O)cc2)CCC1=O ZINC000026753219 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc(N3C[C@@H](CNC(C)=O)CC3=O)cc2)CCC1=O ZINC000026753224 FE Annotated Anodyne CO[C@H]1CC[C@H](c2ccc(N3C[C@@H](CNC(C)=O)CC3=O)cc2)CCC1=O ZINC000026753226 FE Annotated Anodyne CO[C@@H]1CC[C@@H](c2ccc([C@@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026823379 FE Annotated Anodyne CO[C@H]1CC[C@@H](c2ccc([C@@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026823384 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc([C@@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026823388 FE Annotated Anodyne CO[C@H]1CC[C@H](c2ccc([C@@H]3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026823393 FE Annotated Anodyne CO[C@@H]1CC[C@@H](c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026823758 FE Annotated Anodyne CO[C@H]1CC[C@@H](c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026823763 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026823768 FE Annotated Anodyne CO[C@H]1CC[C@H](c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000026823773 FE Annotated Anodyne Cc1cccc2n1cc(/C=C/c1ccc(/C=N/NC3=NCCN3)cc1)[n+]2C ZINC000026824605 FE Annotated Mild C[n+]1c(/C=C/c2ccc(/C=N/NC3=NCCCN3)cc2)cn2ccccc21 ZINC000026825571 FE Annotated Mild CCNC(=N)N/N=C/c1ccc(OCc2cn3c(C)cccc3[n+]2C)cc1 ZINC000026829941 FE Annotated Mild Cc1c(N2C[C@@H](N)C[C@H]2C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000026830350 FE Annotated Anodyne NCC(=O)N1CCCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1 ZINC000026831721 FE Annotated Anodyne CCSc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N)cc1)[n+]2C ZINC000026831885 FE Annotated Mild C[n+]1c(-c2ccc(/C=C/C=N/NC3=NCCCN3)cc2)cn2ccccc21 ZINC000026832591 FE Annotated Mild C[n+]1c(-c2ccc(/C=N/N=C(\N)N3CCSC3)cc2)cn2ccccc21 ZINC000026833315 FE Annotated Mild C[n+]1c(-c2ccc(/C=N/NC(=N)N)cc2)c(Br)n2ccccc21 ZINC000026833436 FE Annotated Mild CCNC(=N)N/N=C/c1ccc(OCc2cn3cc(C)ccc3[n+]2C)cc1 ZINC000026834089 FE Annotated Mild CC/N=C(\NCC)N/N=C/c1ccc(C[n+]2cn(C)c3ccccc32)cc1 ZINC000026834365 FE Annotated Mild CCNC(=N)N/N=C/c1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1 ZINC000026835188 FE Annotated Mild C[n+]1c(-c2ccc(/C=N/NC(=N)N3CCCC3)cc2)cn2ccsc21 ZINC000026835249 FE Annotated Mild CCCc1cc(C2=N[C@H](C(=O)NO)CO2)cc(OC(F)(F)F)c1OC ZINC000026839989 FE Annotated Bother CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H]2C/C(=C/COCC(=O)O)C[C@H]2C[C@H]1O ZINC000026844667 FE Annotated Mild in-vitro CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H]2C/C(=C/COCC(=O)O)C[C@@H]2C[C@H]1O ZINC000026844676 FE Annotated Mild CCN1c2nc(-c3ccc(Cl)cc3)c(Cl)nc2C(N)=NS1(=O)=O ZINC000026970506 FE Annotated Anodyne N[C@@H]1CCN(c2nc3[nH]cc(CNc4ccccc4)c(=O)c3cc2F)C1 ZINC000026986448 FE Annotated Anodyne N[C@H]1CCN(c2nc3[nH]cc(CNc4ccccc4)c(=O)c3cc2F)C1 ZINC000026986456 FE Annotated Anodyne CCOC[C@@H](COc1ccc(NC(=O)CC[S+](C)C)cc1)OC(C)=O ZINC000026987520 FE Annotated Mild CCOC[C@H](COc1ccc(NC(=O)CC[S+](C)C)cc1)OC(C)=O ZINC000026987529 FE Annotated Mild CCOC[C@@H](COc1ccccc1NC(=O)CC[S+](C)C)OC(C)=O ZINC000026992783 FE Annotated Mild CCOC[C@H](COc1ccccc1NC(=O)CC[S+](C)C)OC(C)=O ZINC000026992788 FE Annotated Mild CN(CCNCCCn1nc2ccccn2c1=O)c1cccc(Cl)c1 ZINC000027086162 FE Annotated Anodyne CC(C)c1c(Sc2ccccc2)n(CSCCO)c(=O)[nH]c1=O ZINC000027096795 FE Annotated Anodyne CCCc1c(Sc2ccccc2)n(CSCCO)c(=O)[nH]c1=O ZINC000027098886 FE Annotated Anodyne CC1(C)C[C@@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)N1O ZINC000027103476 FE Annotated Anodyne CC1(C)C[C@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)N1O ZINC000027103479 FE Annotated Anodyne CCNCCNc1ccc2ncnc3c2c1C(=O)c1c(O)ccc(O)c1-3 ZINC000027104179 FE Annotated Clean Cc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCNCCO)c2c1 ZINC000027104653 FE Annotated Bother Cn1c2ccccc2c2nn(CCNCCO)c3ccc([N+](=O)[O-])c1c23 ZINC000027104659 FE Annotated Bother COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCNCCO)c2c1 ZINC000027106906 FE Annotated Bother CC(C)Oc1ccc(Cc2c(O)nc(NCCCN(C)C)[nH]c2=O)cc1 ZINC000027155162 FE Annotated Anodyne CN(Cc1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)c(C#N)cc2c1 ZINC000027183309 FE Annotated Mild CN(Cc1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)c(C#N)cc2c1 ZINC000027183315 FE Annotated Mild CNC(=O)OCc1nc(Sc2ccccc2)n(C)c1COC(=O)NC ZINC000027186515 FE Annotated Anodyne COc1ccc(CN(C)C[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000027189879 FE Annotated Anodyne COc1ccc(CN(C)C[C@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000027189885 FE Annotated Anodyne CN1C(=O)c2cc([N+](=O)[O-])ccc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 ZINC000027190264 FE Annotated Bother CCOC(=O)Nc1cc(NN(C)C(=N)c2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027193283 FE Annotated Bother CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)c2ccc(O)cc2)c(N)c(N)n1 ZINC000027193529 FE Annotated Anodyne CCCC[C@@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@@H](C)O ZINC000027194464 FE Annotated Bother CCCC[C@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@@H](C)O ZINC000027194470 FE Annotated Bother CCCC[C@@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@H](C)O ZINC000027194476 FE Annotated Bother CCCC[C@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])[C@H](C)O ZINC000027194482 FE Annotated Bother CCCC[C@@H](O)[C@@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] ZINC000027194489 FE Annotated Bother CCCC[C@H](O)[C@@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] ZINC000027194492 FE Annotated Bother CCCC[C@@H](O)[C@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] ZINC000027194498 FE Annotated Bother CCCC[C@H](O)[C@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] ZINC000027194500 FE Annotated Bother CCOC(=O)Nc1cc(N[C@H](C)[C@@H](O)c2ccc(O)cc2)c(N)c(N)n1 ZINC000027196487 FE Annotated Anodyne COC(=O)Nc1cc(N[C@@H](C)/C(=N/O)c2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027196631 FE Annotated Mild COC(=O)Nc1cc(N[C@H](C)/C(=N/O)c2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027196635 FE Annotated Mild CC(C)(C)[C@@H]1NC(=O)[C@H](CN(O)C=O)CCCCCCCCCNC1=O ZINC000027200260 FE Annotated Anodyne N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N2CCCCC2)c1 ZINC000027203305 FE Annotated Anodyne CCC/N=C(/NC#N)NCCCCn1nc(-c2ccccc2)ccc1=O ZINC000027208608 FE Annotated Mild CC/N=C(/NC#N)NCCCCn1nc(-c2ccccc2)c(C)cc1=O ZINC000027208612 FE Annotated Mild C/N=C(/NC#N)NCCCCCn1nc(-c2ccccc2)c(C)cc1=O ZINC000027208622 FE Annotated Mild C/N=C(/NC#N)NCCCCCn1nc(-c2ccccc2)cc(C)c1=O ZINC000027212361 FE Annotated Mild CC/N=C(/NC#N)NCCCCn1nc(-c2ccccc2)cc(C)c1=O ZINC000027213764 FE Annotated Mild CC/N=C(/NC#N)NCCCCCn1nc(-c2ccccc2)ccc1=O ZINC000027213977 FE Annotated Mild CN(C)/C(=N/CCCCCCn1nc(-c2ccccc2)ccc1=O)NC#N ZINC000027216175 FE Annotated Mild CN(C)/C(=N/CCCCCn1nc(-c2ccccc2)ccc1=O)NC#N ZINC000027298706 FE Annotated Mild O=C(O)C[C@@H]1CCc2cc(NC(=O)OCC3CCNCC3)ccc2C1=O ZINC000027300605 FE Annotated Anodyne O=C(O)C[C@H]1CCc2cc(NC(=O)OCC3CCNCC3)ccc2C1=O ZINC000027300610 FE Annotated Anodyne O=C(O)C[C@@H]1CCc2cc(NC(=O)/C=C/C3CCNCC3)ccc2C1=O ZINC000027300615 FE Annotated Anodyne O=C(O)C[C@H]1CCc2cc(NC(=O)/C=C/C3CCNCC3)ccc2C1=O ZINC000027300620 FE Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](C)O)CC(=O)O1 ZINC000027307952 FE Annotated Anodyne C[C@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000027307958 FE Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCCO)CC(=O)O1 ZINC000027308818 FE Annotated Anodyne O=C1O[C@@H](CNC=S)CN1c1cc(F)c2c(c1)OC[C@@H]1CCCN21 ZINC000027308872 FE Annotated Anodyne CCC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027314538 FE Annotated Anodyne CC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027316122 FE Annotated Anodyne O=C(O)c1cc2n(n1)[C@H](C(=O)O)Nc1cc(Cl)c(-n3ccnc3)cc1-2 ZINC000027326270 FE Annotated Anodyne O=C(O)c1cc2n(n1)[C@@H](C(=O)O)Nc1cc(Cl)c(-n3ccnc3)cc1-2 ZINC000027326273 FE Annotated Anodyne O=C(O)Cc1ccc2c(c1)C[C@H](CNS(=O)(=O)C1CCCCC1)C2 ZINC000027329342 FE Annotated Anodyne O=C(O)Cc1ccc2c(c1)C[C@@H](CNS(=O)(=O)C1CCCCC1)C2 ZINC000027329346 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc4cncnc4c3)c(F)c2)C(=O)O1 ZINC000027413689 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CF)s3)c(F)c2)C(=O)O1 ZINC000027414583 FE Annotated Anodyne CCc1nnc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1 ZINC000027420319 FE Annotated Anodyne COCc1ccc(/C(=N\O)c2cccc(NS(=O)(=O)N(C)C)c2)cc1 ZINC000027420352 FE Annotated Mild CS(=O)(=O)c1ccc(N2C[C@H](COc3nccs3)OC2=O)cc1F ZINC000027420565 FE Annotated Anodyne CCOC(=O)COc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 ZINC000027429215 FE Annotated Mild C(=C/c1cn2cc(C3=NCCN3)ccc2n1)\c1ccc(C2=NCCN2)cc1 ZINC000027436590 FE Annotated Anodyne CN(C)C(=O)c1cc2c(s1)[C@@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2 ZINC000027440583 FE Annotated Anodyne COC(=O)c1scc2[nH]c([S@@](=O)Cc3cc(OC)ccn3)nc12 ZINC000027517519 FE Annotated Anodyne COC(=O)c1scc2[nH]c([S@](=O)Cc3cc(OC)ccn3)nc12 ZINC000027517520 FE Annotated Anodyne O=C(O)c1cn2c3c(c(Cl)c(N4CCOCC4)cc3c1=O)SCC2 ZINC000027524420 FE Annotated Anodyne C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(Cl)c(N4CCNCC4)cc3n21 ZINC000027524642 FE Annotated Anodyne C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(Cl)c(N4CCNCC4)cc3n21 ZINC000027524643 FE Annotated Anodyne CN1CCN(c2cc3c(cc2Cl)c(=O)c(C(=O)O)c2n3CS2)CC1 ZINC000027525013 FE Annotated Anodyne C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCOCC4)cc3n21 ZINC000027525261 FE Annotated Anodyne C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCOCC4)cc3n21 ZINC000027525263 FE Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCSCC4)c(F)cc3c1=O)SCC2 ZINC000027527201 FE Annotated Anodyne O=C1Nc2c(CN3CCOCC3)ccnc2N(C2CC2)c2ncccc21 ZINC000027548814 FE Annotated Anodyne CC1(C)OC(C)(C)c2c1nnc(-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[n+]2[O-] ZINC000027555478 FE Annotated Bother COC1(/C=C/C(=O)OCc2ccc3c(ccc(=O)n3C)c2)CCOCC1 ZINC000027559894 FE Annotated Anodyne CC1(C)COc2c(NC(CO)CO)ccc(C(=O)c3ccccc3)c2N1 ZINC000027560300 FE Annotated Clean CN(/N=C/c1c2ccccc2c(/C=N/N(C)C(=N)N)c2ccccc12)C(=N)N ZINC000027560672 FE Annotated Mild CCOC(=O)CCC(=O)N1CCS[C@@H]1COc1ccccc1OC ZINC000027564092 FE Annotated Anodyne CCOC(=O)CCC(=O)N1CCS[C@H]1COc1ccccc1OC ZINC000027564095 FE Annotated Anodyne Cc1cc(-c2csc(N=C(N)N)n2)cn1S(=O)(=O)c1ccccc1 ZINC000027628608 FE Annotated Mild Cc1c(-c2csc(N=C(N)N)n2)ccn1S(=O)(=O)c1ccccc1 ZINC000027631267 FE Annotated Mild Cc1ccc(-c2csc(N=C(N)N)n2)n1S(=O)(=O)c1ccccc1 ZINC000027632865 FE Annotated Mild CC(=O)O[C@H](C)n1cnc2c(Cl)nc(I)nc21 ZINC000027644320 FE Annotated Anodyne CC(=O)O[C@@H](C)n1cnc2c(Cl)nc(I)nc21 ZINC000027644328 FE Annotated Anodyne O=C(CCl)NCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000027648406 FE Annotated Reactive CN(C)c1nsc(-c2ccc(N3CCN(c4ccccc4)CC3)nn2)n1 ZINC000027649960 FE Annotated Anodyne CCOCCOC(=O)/C(O)=N/c1nc(-c2cc(COC)no2)cs1 ZINC000027708247 FE Annotated Mild COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](N)c1cc(=O)c(OC)ccc12 ZINC000027712007 FE Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](N)c1cc(=O)c(OC)ccc12 ZINC000027712011 FE Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](N)c1cc(=O)c(OC)ccc12 ZINC000027712012 FE Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](N)c1cc(=O)c(OC)ccc12 ZINC000027712017 FE Annotated Anodyne CN[C@H]1CCC2=C[C@@H](OC)[C@@H](OC)C(OC)=C2c2ccc(OC)c(=O)cc21 ZINC000027712022 FE Annotated Anodyne CN[C@H]1CCC2=C[C@H](OC)[C@@H](OC)C(OC)=C2c2ccc(OC)c(=O)cc21 ZINC000027712027 FE Annotated Anodyne CN[C@H]1CCC2=C[C@@H](OC)[C@H](OC)C(OC)=C2c2ccc(OC)c(=O)cc21 ZINC000027712031 FE Annotated Anodyne CN[C@H]1CCC2=C[C@H](OC)[C@H](OC)C(OC)=C2c2ccc(OC)c(=O)cc21 ZINC000027712036 FE Annotated Anodyne CCOC(=O)c1ccc(OCCCNc2nc(N)nc(O)c2N=O)cc1 ZINC000027737852 FE Annotated Anodyne CC(C)(C)c1cc(I)c(O)c(Cn2cnnn2)c1 ZINC000027754564 FE Annotated Clean O=C1[C@H](O)N=C(c2ccccc2F)c2ccccc2N1C1CCNCC1 ZINC000027755780 FE Annotated Anodyne O=C1[C@@H](O)N=C(c2ccccc2F)c2ccccc2N1C1CCNCC1 ZINC000027755792 FE Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O ZINC000027759910 FE Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O ZINC000027759919 FE Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O ZINC000027759931 FE Annotated Anodyne CN(CC#CCN1CCCC1)C(=O)CCCCNC(=O)OC(C)(C)C ZINC000027765378 FE Annotated Mild OCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027769219 FE Annotated Anodyne CC(C)(C)c1cc(I)c(O)c(CNC2=NCCN2)c1 ZINC000027857422 FE Annotated Clean CC(C)(C)c1cc(I)c2c(c1)CNS(=O)(=O)O2 ZINC000027859229 FE Annotated Anodyne CNc1nc(OC)nc(C(Br)Br)c1[N+](=O)[O-] ZINC000027860463 FE Annotated Reactive O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCN1CCNCC1 ZINC000027860532 FE Annotated Bother OC[C@H]1O[C@@H](n2c(SCc3ccccc3)nc3sncc32)C[C@@H]1O ZINC000027860543 FE Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Sc1nnnn1C ZINC000027869671 FE Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Sc1nnnn1C ZINC000027869678 FE Annotated Anodyne OC[C@H]1O[C@@H](n2c(SCc3ccccc3)nc3cnsc32)C[C@@H]1O ZINC000027873851 FE Annotated Anodyne COc1nc(OC)c([N+](=O)[O-])c(C(Br)Br)n1 ZINC000027875540 FE Annotated Reactive CS(=O)(=O)c1ccc(C(=O)c2c(Cl)cc3n2CC[C@@H]3C(=O)O)cc1 ZINC000027899559 FE Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)c2c(Cl)cc3n2CC[C@H]3C(=O)O)cc1 ZINC000027899561 FE Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1ccc(C(=O)O)cc1C2=O ZINC000027978241 FE Annotated Clean O=[N+]([O-])c1ccc(S(=O)(=O)N2CC#Cc3ccccc3C#CCC2)cc1 ZINC000027982116 FE Annotated Mild O=C1COC2(CCN(C[C@H](O)c3ccccc3)CC2)[C@@H](c2ccccc2)N1 ZINC000027982787 FE Annotated Anodyne O=C1COC2(CCN(C[C@@H](O)c3ccccc3)CC2)[C@@H](c2ccccc2)N1 ZINC000027982792 FE Annotated Anodyne O=C1COC2(CCN(C[C@H](O)c3ccccc3)CC2)[C@H](c2ccccc2)N1 ZINC000027982798 FE Annotated Anodyne O=C1COC2(CCN(C[C@@H](O)c3ccccc3)CC2)[C@H](c2ccccc2)N1 ZINC000027982805 FE Annotated Anodyne COc1ccc(NC(=O)O[C@@H]2CC[C@H]([C@H](N)C(=O)N3CCCC3)C2)cc1 ZINC000027986506 FE Annotated Anodyne COc1ccc(NC(=O)O[C@H]2CC[C@H]([C@H](N)C(=O)N3CCCC3)C2)cc1 ZINC000027993858 FE Annotated Anodyne O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@@H](C1NNNN1)C2 ZINC000027996224 FE Annotated Anodyne O=C(c1cccs1)c1cc2c(c(Cl)c1Cl)O[C@H](C1NNNN1)C2 ZINC000027996228 FE Annotated Anodyne CN[C@@H](C)[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000027997551 FE Annotated Anodyne COc1cc2c(cc1OCCC(=O)N1CCCC1)N=C[C@@H]1CCCN1C2=O ZINC000028004776 FE Annotated Anodyne COc1cc(CN2CCc3c(C)nc4ncnn4c32)cc(OC)c1OC ZINC000028009435 FE Annotated Anodyne Ic1ccccc1-c1nnc(NC2=NCCN2)s1 ZINC000028010778 FE Annotated Anodyne Oc1nnc(-c2ccncc2)c2nc(Br)c(Br)n12 ZINC000028019535 FE Annotated Anodyne Cc1cnc(NC(=O)C2=C(O)c3ccc(F)cc3S(=O)(=O)N2C)s1 ZINC000028019670 FE Annotated Anodyne CNc1ccc2cc3ccc4c(c3nc2c1CO)COCN4S(C)(=O)=O ZINC000028022432 FE Annotated Bother CO/N=C\c1ccn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 ZINC000028087111 FE Annotated Mild Cc1cnc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)s1 ZINC000028090810 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc([C@@H](C)O)c3)c(F)c2)C(=O)O1 ZINC000028091267 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc([C@H](C)O)c3)c(F)c2)C(=O)O1 ZINC000028091273 FE Annotated Anodyne CCc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 ZINC000028096030 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C(C)=O)c3)c(F)c2)C(=O)O1 ZINC000028097340 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(/C(C)=N\O)c3)c(F)c2)C(=O)O1 ZINC000028099308 FE Annotated Mild Cc1cnc(NC(=O)C2=C(O)c3cc(C)sc3S(=O)(=O)N2C)s1 ZINC000028105898 FE Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ncc(C)s1)=C2O ZINC000028109474 FE Annotated Anodyne CCN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O ZINC000028109822 FE Annotated Anodyne NC(=O)c1c(C=O)n(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12 ZINC000028114966 FE Annotated Anodyne NC(=O)C(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 ZINC000028117499 FE Annotated Anodyne CC(C)(C)N1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028120314 FE Annotated Mild CC(C)(C)N1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028120320 FE Annotated Mild CC[C@@H](C)N1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028124651 FE Annotated Mild CC[C@H](C)N1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028124658 FE Annotated Mild CC[C@@H](C)N1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028124666 FE Annotated Mild CC[C@H](C)N1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028124671 FE Annotated Mild CCCCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028126558 FE Annotated Mild CCCCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028126563 FE Annotated Mild CN(C)c1ccc(CNC(=O)NCCCCCCNC(=O)CS)cc1 ZINC000028136000 FE Annotated Mild O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1nncs1 ZINC000028227207 FE Annotated Bother Cc1ccccc1-n1c(=O)c(F)cn([C@@H]2OC(=O)c3ccccc32)c1=O ZINC000028229619 FE Annotated Anodyne Cc1ccccc1-n1c(=O)c(F)cn([C@H]2OC(=O)c3ccccc32)c1=O ZINC000028229622 FE Annotated Anodyne CCOC(=O)N1Cc2c(OC)nc3nc(C(=O)c4ccccc4)cn3c2C1 ZINC000028231158 FE Annotated Anodyne O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000028235823 FE Annotated Anodyne CN(C)CCCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000028235969 FE Annotated Bother CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCOCC3)[nH]2)c1 ZINC000028241992 FE Annotated Anodyne N[C@@H](Cc1cc(C2CCCCC2)ccc1CCP(=O)(O)O)C(=O)O ZINC000028260400 FE Annotated Anodyne N[C@H](Cc1cc(C2CCCCC2)ccc1CCP(=O)(O)O)C(=O)O ZINC000028260406 FE Annotated Anodyne COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=NN(C)C(=O)C2 ZINC000028261140 FE Annotated Bother COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=NN(C)C(=O)C2 ZINC000028261299 FE Annotated Bother CN(C)c1ccc(C(=O)NC[C@@H](CNC(=O)CS)c2ccccc2)cc1 ZINC000028331246 FE Annotated Mild CN(C)c1ccc(C(=O)NC[C@H](CNC(=O)CS)c2ccccc2)cc1 ZINC000028331253 FE Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1C(=O)OC[C@H]1O ZINC000028349389 FE Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1C(=O)OC[C@H]1O ZINC000028349397 FE Annotated Mild NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1cncs1 ZINC000028351925 FE Annotated Reactive Cc1ncc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000028357115 FE Annotated Reactive CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CNC(C)=O)c1 ZINC000028360847 FE Annotated Anodyne Cc1nc(/N=C(\N)NCCc2ccccc2)nc(C)c1OCCCN(C)C ZINC000028376707 FE Annotated Mild CN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C ZINC000028384394 FE Annotated Mild CCN(CC)CCc1c(C)[nH]c(/C=C2\C(=O)NN=C2c2cnccn2)c1C ZINC000028392908 FE Annotated Clean COc1c(C#N)c2cc(Cl)c(Cl)cc2n1[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000028395814 FE Annotated Mild Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000028459893 FE Annotated Mild CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21 ZINC000028462107 FE Annotated Mild COc1c(C=O)c2cc(Cl)c(Cl)cc2n1[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000028462122 FE Annotated Anodyne COc1cccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)c1 ZINC000028463102 FE Annotated Anodyne COc1cccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)c1 ZINC000028463106 FE Annotated Anodyne COc1cccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)c1 ZINC000028463110 FE Annotated Anodyne COc1cccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)c1 ZINC000028463114 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21 ZINC000028463827 FE Annotated Mild N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccccc4)C3)c[nH]c21 ZINC000028465219 FE Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccc(OC)cc1)N1CC(CC)(CC)C1=O ZINC000028468075 FE Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccc(OC)cc1)N1CC(CC)(CC)C1=O ZINC000028468078 FE Annotated Anodyne COc1ccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc1 ZINC000028468645 FE Annotated Anodyne COc1ccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc1 ZINC000028468648 FE Annotated Anodyne COc1ccc([C@@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc1 ZINC000028468652 FE Annotated Anodyne COc1ccc([C@H]2NN=C(c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc1 ZINC000028468656 FE Annotated Anodyne COc1cccc2c(=O)c3c(O)cc4c(c3oc12)[C@@H]1OC[C@]2(CO2)[C@@H]1O4 ZINC000028470086 FE Annotated Bother COc1cccc2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1[C@H]4OC[C@]1(C)O ZINC000028473075 FE Annotated Bother COc1cccc2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1[C@H]4OC[C@@]1(C)O ZINC000028475365 FE Annotated Bother CC(C)NC(=N)N/C(N)=N/OCCCOc1ccc(C(F)(F)F)cc1 ZINC000028475575 FE Annotated Mild C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)[C@]14CO[C@](O)([C@H]2O)[C@]31O4 ZINC000028477115 FE Annotated Anodyne N#Cc1ccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)cc1 ZINC000028520226 FE Annotated Mild Cc1ccc2occ(/C=N/Cc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1 ZINC000028524260 FE Annotated Mild CC(C)[C@@H](O)c1cc(C#Cc2cc(C(N)=O)c(NC(N)=O)s2)cs1 ZINC000028524577 FE Annotated Mild CC(C)[C@H](O)c1cc(C#Cc2cc(C(N)=O)c(NC(N)=O)s2)cs1 ZINC000028524578 FE Annotated Mild Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000028526661 FE Annotated Anodyne Nc1ccc(S(=O)(=O)n2ccc3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)cc1 ZINC000028530919 FE Annotated Bother in-vivo C[C@H]1C(=O)O[C@]23CC[C@]4(C)C(=O)OC[C@@]45O[C@](c4ccoc4)(C[C@@H]1[C@]52C)O3 ZINC000028537305 FE Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)[C@@H](C)O[C@]2([C@@H](C)[C@H]3OC(=O)[C@]2(C)C(=O)[C@H]3C)[C@@H]1C ZINC000028541929 FE Annotated Anodyne CC(C)Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028563082 FE Annotated Mild Nc1nn(CCO)c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12 ZINC000028565407 FE Annotated Anodyne COc1cc(Cl)nc2n/c(=N/C(=O)c3ccc(Cl)nc3)sn12 ZINC000028565442 FE Annotated Anodyne COc1cc(Cl)nc(NC(=S)NC(=O)c2ccc(Cl)nc2)n1 ZINC000028566202 FE Annotated Anodyne C=C(C)[C@H](O)CC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(C)=O)C=CC2=O ZINC000028567024 FE Annotated Mild C=C(C)[C@@H](O)CC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(C)=O)C=CC2=O ZINC000028567026 FE Annotated Mild CC(=O)N[C@@H]1CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C[C@@H]1O ZINC000028567662 FE Annotated Anodyne CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)C/C=C/C(C)(C)O)C1 ZINC000028567720 FE Annotated Mild N[C@H](CO)[C@H](O)c1c[nH]c(C(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000028568302 FE Annotated Anodyne N/C(=N\N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccncc1 ZINC000028568595 FE Annotated Mild N/C(=N\N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccncc1 ZINC000028568596 FE Annotated Mild C#C[C@@H](CC(=O)O)Cc1nc(CCCc2ccc3c(n2)NCCC3)no1 ZINC000028569511 FE Annotated Mild C#C[C@H](CC(=O)O)Cc1nc(CCCc2ccc3c(n2)NCCC3)no1 ZINC000028569512 FE Annotated Mild CCOC(=O)[C@@H](C)[S@@](=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570483 FE Annotated Bother CCOC(=O)[C@H](C)[S@@](=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570484 FE Annotated Bother CCOC(=O)[C@@H](C)[S@](=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570485 FE Annotated Bother CCOC(=O)[C@H](C)[S@](=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570486 FE Annotated Bother CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCC2CC2)nc1 ZINC000028570546 FE Annotated Anodyne CCCC[C@@H](/C=N/NC(=O)NCCC(=O)OCC)NC(=O)OC(C)(C)C ZINC000028570904 FE Annotated Reactive Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(N1CCOCC1)CC2 ZINC000028571066 FE Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(N1CCOCC1)CC2 ZINC000028571067 FE Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)[C@@H](C)O)=C/C[C@H]12 ZINC000028572358 FE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)[C@H](C)O)=C/C[C@H]12 ZINC000028572359 FE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)[C@@H](C)O)=C/C[C@H]12 ZINC000028572360 FE Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)[C@H](C)O)=C/C[C@H]12 ZINC000028572361 FE Annotated Anodyne NC(=O)c1ccc[n+](CCCCCCCC[n+]2ccc(/C=N/O)cc2)c1 ZINC000028572412 FE Annotated Mild NC(=O)c1cc[n+](CCCCCCCC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000028572743 FE Annotated Mild O=C1C=CC(O)(c2cc3cnccc3n2S(=O)(=O)c2ccccc2)C=C1 ZINC000028604293 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H](COC(=O)[C@H](C)CC)[C@]1(O)CCC(=O)[C@@]21C ZINC000028637169 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H](COC(=O)[C@@H](C)CC)[C@]1(O)CCC(=O)[C@@]21C ZINC000028637172 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)[C@H](C)CC)[C@]1(O)CCC(=O)[C@@]21C ZINC000028637175 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)[C@@H](C)CC)[C@]1(O)CCC(=O)[C@@]21C ZINC000028637178 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H](COC(=O)CC(C)C)[C@]1(O)CCC(=O)[C@@]21C ZINC000028637296 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)CC(C)C)[C@]1(O)CCC(=O)[C@@]21C ZINC000028637299 FE Annotated Mild CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(=O)c3c(O)cccc3o2)CC1 ZINC000028638674 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)/C(C)=C/C)[C@]1(O)CCC(=O)[C@@]21C ZINC000028639123 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)C=C(C)C)[C@]1(O)CCC(=O)[C@@]21C ZINC000028639132 FE Annotated Mild CC(C)[C@H]1/C=C/[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 ZINC000028639139 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)/C(C)=C\C)[C@]1(O)CCC(=O)[C@@]21C ZINC000028639303 FE Annotated Mild N=C(N)c1cccc(-c2cc(-c3cccc(C(=N)N)c3[N+](=O)[O-])on2)c1 ZINC000028643544 FE Annotated Bother N=C(N)c1ccc(-c2cc(-c3cccc(C(=N)N)c3[N+](=O)[O-])no2)cc1 ZINC000028644056 FE Annotated Bother N=C(N)c1cccc(-c2cc(-c3cccc(C(=N)N)c3[N+](=O)[O-])no2)c1 ZINC000028644060 FE Annotated Bother N=C(N)c1ccc(-c2cc(-c3ccc(C(=N)N)cc3[N+](=O)[O-])on2)cc1 ZINC000028644389 FE Annotated Bother N=C(N)c1ccc(-c2cc(-c3ccc(C(=N)N)cc3[N+](=O)[O-])no2)cc1 ZINC000028644539 FE Annotated Bother O=c1c(Cn2nnn(-c3ccccc3Cl)c2=O)coc2ccccc12 ZINC000028647604 FE Annotated Anodyne O=c1c(Cn2nnn(-c3ccc(Cl)cc3)c2=O)coc2ccccc12 ZINC000028647611 FE Annotated Anodyne CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2C)cc1 ZINC000028647615 FE Annotated Clean CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2C)cc1 ZINC000028647623 FE Annotated Clean CCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647638 FE Annotated Anodyne CCCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647641 FE Annotated Anodyne C=CCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647658 FE Annotated Mild C=CCS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000028648953 FE Annotated Mild CCCS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000028648974 FE Annotated Anodyne COCCN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O ZINC000028649638 FE Annotated Mild CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2nc(S)[nH]c(=O)c12 ZINC000028651009 FE Annotated Anodyne COc1c(Br)cc(CO)c(OCCO)c1Br ZINC000028652106 FE Annotated Anodyne COc1c(Br)cc2c(c1Br)OC[C@H](O)OC2 ZINC000028652109 FE Annotated Anodyne COc1c(Br)cc2c(c1Br)OC[C@@H](O)OC2 ZINC000028652113 FE Annotated Anodyne C=CCOCn1c(C(=O)c2cccc3ccccc23)c(C)c(=O)[nH]c1=O ZINC000028652486 FE Annotated Mild O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3nccs3)c(=O)c12 ZINC000028655986 FE Annotated Bother COc1ccc(/C=N/NC(=S)NC2CCCCC2)c(C(=O)O)c1O ZINC000028705974 FE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ccccn3)cc2)C(=O)O1 ZINC000028709390 FE Annotated Mild O=C1N=c2c(Br)cccc2=C1c1[nH]c2ccccc2c1NO ZINC000028710543 FE Annotated Anodyne O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1CCN1CCOCC1 ZINC000028713226 FE Annotated Anodyne O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1CCN1CCOCC1 ZINC000028713227 FE Annotated Anodyne O=C(O)CCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 ZINC000028757388 FE Annotated Clean CCCOCC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000028759329 FE Annotated Mild CSCC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000028759588 FE Annotated Mild CCOCCCN/C(N)=N\c1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000028760263 FE Annotated Mild CCN1c2ccccc2N(C(=O)CN(C)C)c2ccccc2S1(=O)=O ZINC000028765323 FE Annotated Anodyne Cc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1N(C)S2(=O)=O ZINC000028765511 FE Annotated Anodyne CC(C)NCC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21 ZINC000028765628 FE Annotated Anodyne C[C@]12CC/C(=N\N=C(N)N)C=C1CC[C@@H]2CN1C(=O)c2ccccc2C1=O ZINC000028767697 FE Annotated Mild CCOc1cc(CNC(=O)CC)ccc1OC[C@@H](O)[C@@H](C)NC(C)C ZINC000028767937 FE Annotated Anodyne CCOc1cc(CNC(=O)CC)ccc1OC[C@H](O)[C@@H](C)NC(C)C ZINC000028767939 FE Annotated Anodyne CCOc1cc(CNC(=O)CC)ccc1OC[C@@H](O)[C@H](C)NC(C)C ZINC000028767941 FE Annotated Anodyne CCOc1cc(CNC(=O)CC)ccc1OC[C@H](O)[C@H](C)NC(C)C ZINC000028767943 FE Annotated Anodyne CCC(=O)Nc1ccc(OC[C@@H](O)[C@@H](C)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000028768316 FE Annotated Bother CCC(=O)Nc1ccc(OC[C@H](O)[C@@H](C)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000028768318 FE Annotated Bother CCC(=O)Nc1ccc(OC[C@@H](O)[C@H](C)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000028768320 FE Annotated Bother CCC(=O)Nc1ccc(OC[C@H](O)[C@H](C)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000028768322 FE Annotated Bother COc1ccc2c(c1)c(O)c(C(=O)Nc1nnn[nH]1)n2-c1ccccc1 ZINC000028768438 FE Annotated Anodyne CN(C)CCNc1ccc(NCCCN)c2c1C(=O)c1ccccc1C2=O ZINC000028770325 FE Annotated Clean CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12 ZINC000028771508 FE Annotated Anodyne CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)c1c[nH]c2c(OC)cccc12 ZINC000028771511 FE Annotated Anodyne COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC000028817359 FE Annotated Bother COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC000028817361 FE Annotated Bother COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC000028817363 FE Annotated Bother COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC000028817365 FE Annotated Bother CN(C)[C@@]1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 ZINC000028821283 FE Annotated Anodyne CN(C)[C@]1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 ZINC000028821284 FE Annotated Anodyne CO/N=C(/C(=O)OC)c1cccc(Cn2cc(C3(O)CCCCC3)nn2)c1 ZINC000028822386 FE Annotated Mild CCCSc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12 ZINC000028825533 FE Annotated Anodyne CCCSc1cccc2c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cccc12 ZINC000028825534 FE Annotated Anodyne CCCSc1cccc2cccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c12 ZINC000028825535 FE Annotated Anodyne CCCSc1cc2ccccc2cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000028825536 FE Annotated Anodyne CNC(=O)c1cc(N[C@H]2c3ccccc3C[C@@H]2O)c2nc(C)c(C)n2c1 ZINC000028826108 FE Annotated Anodyne O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-] ZINC000028827386 FE Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(C(C)(C)O)s1 ZINC000028827428 FE Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2[O-] ZINC000028861761 FE Annotated Anodyne O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000028861816 FE Annotated Anodyne O=C(OC[C@@H](CO)CCn1cnc2c(Cl)ncnc21)c1ccccc1 ZINC000028865045 FE Annotated Anodyne O=C(OC[C@H](CO)CCn1cnc2c(Cl)ncnc21)c1ccccc1 ZINC000028865048 FE Annotated Anodyne Cc1c(CNC2CCCCC2)c(=O)[nH]c(=O)n1COCc1ccccc1 ZINC000028866869 FE Annotated Anodyne CCCN(CCC)CCNc1n[n+](=O)c2ccc(C(C)(C)C)cc2n1O ZINC000028867200 FE Annotated Anodyne CC(C)CNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@@H]1F ZINC000028868144 FE Annotated Mild CC(C)CNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@@H]1F ZINC000028868147 FE Annotated Mild CC(C)CNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@H]1F ZINC000028868150 FE Annotated Mild CC(C)CNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@H]1F ZINC000028868153 FE Annotated Mild CCCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@@H]1F ZINC000028868184 FE Annotated Mild CCCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@@H]1F ZINC000028868187 FE Annotated Mild CCCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@H]1F ZINC000028868190 FE Annotated Mild CCCCNCC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@H]1F ZINC000028868194 FE Annotated Mild N#Cc1c(N)nc2c(c1-c1cccc(N3C(=O)C=CC3=O)c1)C(=O)CCC2 ZINC000028872006 FE Annotated Mild CC(C)(CNC(=O)c1cnc(N2CCC(CO)CC2)cn1)c1ccccc1 ZINC000028882493 FE Annotated Anodyne c1cc([C@H]2OC[C@H]3OCCC[C@H]3O2)nc([C@H]2OC[C@H]3OCCC[C@H]3O2)c1 ZINC000028886058 FE Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C2\NC(=O)[C@@H](Cc3ccco3)S2)cc1 ZINC000028888543 FE Annotated Mild Cc1ccc(S(=O)(=O)/N=C2\NC(=O)[C@H](Cc3ccco3)S2)cc1 ZINC000028888547 FE Annotated Mild Cc1cc(S(=O)(=O)NC[C@H](O)CN2C[C@H](C)C[C@H]2C)c(C)cc1Cl ZINC000028892188 FE Annotated Anodyne Cc1cc(S(=O)(=O)NC[C@H](O)CN2C[C@@H](C)C[C@H]2C)c(C)cc1Cl ZINC000028892194 FE Annotated Anodyne Cc1cc(S(=O)(=O)NC[C@H](O)CN2C[C@H](C)C[C@@H]2C)c(C)cc1Cl ZINC000028892199 FE Annotated Anodyne Cc1cc(S(=O)(=O)NC[C@H](O)CN2C[C@@H](C)C[C@@H]2C)c(C)cc1Cl ZINC000028892204 FE Annotated Anodyne O=C(O)CCC(=O)OCc1cc2c(s1)C(=O)c1sccc1C2=O ZINC000028893912 FE Annotated Clean O=C(CCNCCO)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 ZINC000028902744 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2cn[nH]c2-3)C(=O)O1 ZINC000028949255 FE Annotated Anodyne C=CCNC(=O)[C@@H](C(C)C)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028953004 FE Annotated Mild C=CCNC(=O)[C@H](C(C)C)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028953006 FE Annotated Mild C=CCNC(=O)[C@@H](C(C)C)N(CCCn1ccnc1)C(=O)c1cccnc1 ZINC000028953008 FE Annotated Mild C=CCNC(=O)[C@H](C(C)C)N(CCCn1ccnc1)C(=O)c1cccnc1 ZINC000028953010 FE Annotated Mild N[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@H]1C(=O)N1CCCC1 ZINC000028954943 FE Annotated Anodyne Cc1cc(CN2C[C@H](N)[C@H](C(=O)[C@@H]3CCC[C@H]3C#N)C2)cc(C)c1C#N ZINC000028955150 FE Annotated Mild Cc1cc(CN2C[C@H](N)[C@H](C(=O)[C@H]3CCC[C@H]3C#N)C2)cc(C)c1C#N ZINC000028955153 FE Annotated Mild O=C(CCC1=CCCN(Cc2ccc(Br)cc2)C1=O)NO ZINC000028955266 FE Annotated Bother NC(N)=NC(=O)CCCCCCCCCCCCCCC(=O)N=C(N)N ZINC000028956631 FE Annotated Mild C=C(CCO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000028972310 FE Annotated Mild CNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NC)cc3)CC2)cc1 ZINC000028972364 FE Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccccc2[N+](=O)[O-])s1 ZINC000028975775 FE Annotated Mild CC(=O)OCC/C(SC(C)=O)=C(\C)N(C=O)Cc1ccc(C)nc1N ZINC000028976188 FE Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)ccc([N+](=O)[O-])c1C3=O ZINC000029038294 FE Annotated Clean CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccn2)nc1 ZINC000029038964 FE Annotated Anodyne CO[C@@H]1O[C@@H](OC)[C@@]2(O)C1=C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]12C ZINC000029042043 FE Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000029042165 FE Annotated Anodyne Nc1nc(-c2cncs2)c2ncn(C(=O)NCc3ccccc3)c2n1 ZINC000029047466 FE Annotated Anodyne NC[C@@H]1C[C@@]1(C(=O)N1CCc2sccc2C1)c1ccc2c(c1)OCO2 ZINC000029047602 FE Annotated Anodyne NC[C@@H]1C[C@@]1(C(=O)N1CCOc2ccccc21)c1ccc2c(c1)OCO2 ZINC000029047739 FE Annotated Anodyne CN(C[C@H]1NC(=O)O[C@@H]1COC(=O)Cc1ccccc1)c1ccccc1 ZINC000029048190 FE Annotated Anodyne COc1cc(-c2ccc3c(n2)C(=O)C=C(N2CC2)C3=O)cc(OC)c1OC ZINC000029054132 FE Annotated Mild Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)cc1 ZINC000029056709 FE Annotated Anodyne Cc1cc(O)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1 ZINC000029056739 FE Annotated Anodyne Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)c(F)c1 ZINC000029056748 FE Annotated Anodyne Cc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2F)ccc1O ZINC000029056848 FE Annotated Anodyne Cc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)cc(C)c1O ZINC000029056887 FE Annotated Anodyne NC(=O)Nc1cn(-c2ccc(-c3ccc(O)cc3)c(Cl)c2)nc1C(N)=O ZINC000029057028 FE Annotated Anodyne Cc1cc(O)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1C ZINC000029057137 FE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000029058607 FE Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)c3ccc(OC)cc3)c1n[n+]2[O-] ZINC000029058735 FE Annotated Anodyne COc1ccccc1C(=O)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000029058846 FE Annotated Anodyne COc1ccc(C(=O)c2cnn3c2n[n+]([O-])c2ccc(Cl)cc23)cc1 ZINC000029058849 FE Annotated Anodyne O=C(O)c1nn2c(O)nc3cc(Cl)c(-n4cccc4)cc3c2c1C(=O)O ZINC000029060315 FE Annotated Anodyne CCOCC[S@@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000029123291 FE Annotated Anodyne CCOCC[S@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000029123292 FE Annotated Anodyne CC1(C)[C@H]2C[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(CCO)[C@@H]1C2 ZINC000029123748 FE Annotated Anodyne COc1cc(CNC2=CC3=NCCc4c[nH]c(c43)C2=O)cc(OC)c1OC ZINC000029124223 FE Annotated Mild COc1ccc(CCNC2=CC3=NCCc4c[nH]c(c43)C2=O)cc1OC ZINC000029124410 FE Annotated Mild CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@@H](C)C1=O)OCO3 ZINC000029124482 FE Annotated Anodyne CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@H](C)C1=O)OCO3 ZINC000029124484 FE Annotated Anodyne COc1cc(/C=C/[C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)cc2c1OCO2 ZINC000029124863 FE Annotated Anodyne COc1cc(/C=C/[C@H]2O[C@H](OC)[C@@H]3OC(C)(C)O[C@H]23)cc2c1OCO2 ZINC000029124865 FE Annotated Anodyne COc1cc(O)cc([C@H]2OC[C@H](C(=O)c3ccc(O)c(OC)c3)[C@@H]2CO)c1 ZINC000029125697 FE Annotated Anodyne in-vitro biogenic CC(C)[C@]1(F)O[C@H]2[C@@H]3O[C@@]34[C@@]3(C)CCC5=C(COC5=O)[C@@H]3C[C@@H]3O[C@@]34[C@H]21 ZINC000029126414 FE Annotated Anodyne C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@H]12 ZINC000029126836 FE Annotated Mild C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@@H]12 ZINC000029126837 FE Annotated Mild Cn1c2c(c(=O)n3nc(-c4ccco4)cc13)CN(Cc1ccccc1)C2=O ZINC000029127610 FE Annotated Anodyne COC(=O)c1cc(NC(=O)CCc2ccco2)ccc1N1CCOCC1 ZINC000029128800 FE Annotated Anodyne COc1ccc(-c2c[nH]c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000029130675 FE Annotated Anodyne NC(N)=N/N=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccn12 ZINC000029133078 FE Annotated Mild C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 ZINC000029134021 FE Annotated Mild C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 ZINC000029134023 FE Annotated Mild C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 ZINC000029134025 FE Annotated Mild C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 ZINC000029134026 FE Annotated Mild CCCCc1ccc2c(c1)nc(NC(=O)OC)n2COP(=O)(O)O ZINC000029134725 FE Annotated Anodyne CCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)N(c2nnn[nH]2)N=C1C ZINC000029135578 FE Annotated Clean CC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)nn(CCO)c1=O ZINC000029209251 FE Annotated Anodyne Cc1[nH]cnc1CSCC/N=C(\N)NCCSCc1nccs1 ZINC000029212408 FE Annotated Mild O=C(O)CN(CCN(Cc1ccccc1O)C(=O)O)Cc1ccccc1O ZINC000029213945 FE Annotated Clean Cc1[nH]cnc1CSCCNC(=N)NCCSCc1nc[nH]c1C ZINC000029214445 FE Annotated Clean C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccccc4o3)[C@H](C)[C@H]12 ZINC000029217736 FE Annotated Anodyne CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccnc1 ZINC000029219691 FE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4ccccc4n3)[C@H](C)[C@H]12 ZINC000029219840 FE Annotated Anodyne COC(=O)c1ccc(CC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O ZINC000029232121 FE Annotated Anodyne CCCCC[C@@H]1O[C@@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2C[C@]12CO2 ZINC000029234196 FE Annotated Reactive CCCCC[C@H]1O[C@@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2C[C@]12CO2 ZINC000029234200 FE Annotated Reactive CCCCC[C@@H]1O[C@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2C[C@]12CO2 ZINC000029234206 FE Annotated Reactive CCCCC[C@H]1O[C@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2C[C@]12CO2 ZINC000029234212 FE Annotated Reactive CCCCC[C@@H]1O[C@@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2C[C@@]12CO2 ZINC000029237188 FE Annotated Reactive CCCCC[C@H]1O[C@@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2C[C@@]12CO2 ZINC000029237194 FE Annotated Reactive CCCCC[C@@H]1O[C@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2C[C@@]12CO2 ZINC000029237200 FE Annotated Reactive CCCCC[C@H]1O[C@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2C[C@@]12CO2 ZINC000029237207 FE Annotated Reactive O=Cc1cccc(OCCCNC2=NS(=O)(=O)c3cscc32)c1 ZINC000029309516 FE Annotated Anodyne CC(=O)NCc1cccc(-c2csc(NC(=N)NCC(F)(F)F)n2)n1 ZINC000029309627 FE Annotated Anodyne C=CCn1c(N)nc(-c2ccccc2)c(I)c1=O ZINC000029311976 FE Annotated Mild CC(C)(C)OC(=O)[C@@H]1N2C(=O)/C(=C\c3ccccc3)[C@H]2[S@@](=O)C1(C)C ZINC000029318194 FE Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1N2C(=O)/C(=C\c3ccccc3)[C@H]2[S@](=O)C1(C)C ZINC000029318199 FE Annotated Anodyne CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)O ZINC000029321006 FE Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(/C=C/C(=O)N(C)C)C[C@H]1C=N2 ZINC000029326639 FE Annotated Anodyne O=C1N[C@@H](C(=O)NCCO[N+](=O)[O-])[C@@H](c2cccc3ccccc23)S1 ZINC000029327758 FE Annotated Anodyne O=C1N[C@H](C(=O)NCCO[N+](=O)[O-])[C@@H](c2cccc3ccccc23)S1 ZINC000029327763 FE Annotated Anodyne O=C1N[C@@H](C(=O)NCCO[N+](=O)[O-])[C@H](c2cccc3ccccc23)S1 ZINC000029327767 FE Annotated Anodyne O=C1N[C@H](C(=O)NCCO[N+](=O)[O-])[C@H](c2cccc3ccccc23)S1 ZINC000029327772 FE Annotated Anodyne NCCn1nc2c3ccccc3sc3c(NCCNCCO)ccc1c32 ZINC000029330647 FE Annotated Bother COc1cc(O)c2c(c1)C(=O)c1cc(CNCCCl)cc(O)c1C2=O ZINC000029334785 FE Annotated Reactive NCc1cc(C(=O)c2ccc(OCC(N)=O)c(Cl)c2Cl)ccc1O ZINC000029345790 FE Annotated Clean O=C1C(N2CC2)=CC(=O)c2c(OS(=O)(=O)c3ccc(F)cc3)cccc21 ZINC000029389837 FE Annotated Mild O=C1C(N2CC2)=CC(=O)c2c(OS(=O)(=O)c3cccs3)cccc21 ZINC000029391267 FE Annotated Mild O=C(Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O)c1ccccc1 ZINC000029392510 FE Annotated Mild O=C(Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O)c1cccs1 ZINC000029396202 FE Annotated Mild Cc1ccc(C(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)cc1 ZINC000029396964 FE Annotated Mild O=C1C(N2CC2)=CC(=O)c2c(OS(=O)(=O)c3ccccc3)cccc21 ZINC000029398244 FE Annotated Mild C(=C/CSc1nncc2cncn12)\CSc1nncc2cncn12 ZINC000029412228 FE Annotated Anodyne Oc1nnc(Br)c2c(Br)nc(Br)n12 ZINC000029462216 FE Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(CN)cc1 ZINC000029466726 FE Annotated Anodyne CCN(CC)C(=O)N1CCN(c2ccc3[nH]c(NC(=O)OC)nc3c2)CC1 ZINC000029468061 FE Annotated Anodyne COC(=O)Nc1nc2cc(N3CCN(C(=O)c4ccco4)CC3)ccc2[nH]1 ZINC000029471087 FE Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(CO)cc1 ZINC000029474347 FE Annotated Anodyne CC(=O)N1C(=O)[C@@H](C)[C@H]2[C@@H]1CCN2C(=O)Cc1c(C)[nH]c2ccc(F)cc12 ZINC000029475230 FE Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O ZINC000029477387 FE Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O ZINC000029477391 FE Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O ZINC000029477394 FE Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O ZINC000029477398 FE Annotated Anodyne Nc1nc(-c2c(F)cc(F)cc2F)c(I)c(=O)[nH]1 ZINC000029485607 FE Annotated Anodyne CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)NCC)cc1[N+](=O)[O-] ZINC000029487745 FE Annotated Bother Cc1c(N2C[C@H](C)N[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029490119 FE Annotated Anodyne CCCNC(=O)n1nc(-c2ccc(N)cc2)c2cc3c(cc2c1=O)OCO3 ZINC000029547856 FE Annotated Anodyne NC(=O)[C@@H](CO)N(Cc1ccccc1)Cc1cc(-c2ccccc2)on1 ZINC000029555159 FE Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@@H](CO)C(N)=O)no2)cc1 ZINC000029562953 FE Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3ccccc3)[C@H](CO)C(N)=O)no2)cc1 ZINC000029562955 FE Annotated Anodyne CCOCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 ZINC000029567612 FE Annotated Anodyne CCOCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 ZINC000029567616 FE Annotated Anodyne Cc1ccc(F)c2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000029568654 FE Annotated Mild NC(N)=Nc1nc(C(=O)Nc2nc3c(F)ccc(F)c3s2)cs1 ZINC000029571104 FE Annotated Mild O=C1[C@@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc2N1CCO ZINC000029571401 FE Annotated Anodyne O=C1[C@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc2N1CCO ZINC000029571404 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000299805127 FE Annotated Anodyne CO[C@@H]1CC[C@@H](c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000299805128 FE Annotated Anodyne COC(=O)[C@@]1(c2cc3ccccc3[nH]2)COCC=C2C[N@+](C)([O-])CC[C@@H]21 ZINC000299806956 FE Annotated Bother O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 ZINC000299807044 FE Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21 ZINC000299807045 FE Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CCC(=O)n1cnc2ccccc21)[C@@H]1C[C@@H]31 ZINC000299807046 FE Annotated Anodyne CO[C@@H]1CC[C@H](c2ccc(C3=C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000299807766 FE Annotated Anodyne CO[C@@H]1CC[C@@H](c2ccc(C3=C[C@H](CNC(C)=O)OC3=O)cc2)CCC1=O ZINC000299807768 FE Annotated Anodyne N=C(N)c1ccc(-c2ccc([C@]3(O)CC[C@@](O)(CC(=O)O)CC3)cn2)cc1 ZINC000299809297 FE Annotated Anodyne CC1=NNC(=O)[C@H]1[C@H](c1ccc(Cl)cc1Cl)[C@H]1C(=O)NN=C1C ZINC000299811165 FE Annotated Anodyne C#CCn1c(O)c(N=NC(=O)CNC(=O)c2cccnc2)c2ccccc21 ZINC000299813030 FE Annotated Mild O=C(O)C[C@H]1OCC=C2C[N@@+]3([O-])CC[C@]45c6ccccc6N[C@@H]4[C@@H]1[C@H]2C[C@H]53 ZINC000299813687 FE Annotated Bother Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@H]3C[C@H]2[C@H](Cl)[C@H]3Cl)cc1 ZINC000299814413 FE Annotated Reactive Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@H]3C[C@H]2[C@H](Cl)[C@@H]3Cl)cc1 ZINC000299814414 FE Annotated Reactive O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C[C@H]2[C@@H]1C2(Cl)Cl ZINC000299814422 FE Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@@H]4CCC[C@H]4O)c3n2)CC1 ZINC000299814830 FE Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)CC1 ZINC000299814831 FE Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(Cl)c2)nc1O ZINC000299816000 FE Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc(Cl)cc2)nc1O ZINC000299816169 FE Annotated Anodyne Cc1cccc(C)c1C=c1nc(O)c(=Cc2nc[nH]c2C(C)(C)C)nc1O ZINC000299816604 FE Annotated Anodyne C=Cc1cccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)c1 ZINC000299816743 FE Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2Cl)nc1O ZINC000299816929 FE Annotated Anodyne COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@]1(CN2C)O[C@H]1C ZINC000299820586 FE Annotated Anodyne O=C(Cc1ccc(Br)cc1)[C@@H]1Cc2cncn2C(=S)N1 ZINC000299820784 FE Annotated Anodyne N=C(N)c1ccc(/N=C2\c3ccccc3CN2c2ccc(C(=N)N)nc2)cn1 ZINC000299823147 FE Annotated Mild COc1cccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)ccc32)c1 ZINC000299823186 FE Annotated Anodyne COc1cccc([C@H]2C3=C(COC3=O)N(CCO)c3cc(OC)ccc32)c1 ZINC000299823190 FE Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 ZINC000299823292 FE Annotated Anodyne O=C(Nc1cncc(Oc2cncnc2)n1)c1cc(Br)ccn1 ZINC000299825590 FE Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(OC)c2c1OCO2 ZINC000299826566 FE Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(OC)c2c1OCO2 ZINC000299826573 FE Annotated Reactive O=C1C=C(Nc2cccc(CO)c2)C(=O)C=C1Nc1cccc(CO)c1 ZINC000299827620 FE Annotated Mild c1cc2cc(c1)C[n+]1ccc(cc1)NCCOCCNc1cc[n+](cc1)C2 ZINC000299828015 FE Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(N)nc4)n3n2)c1 ZINC000299828065 FE Annotated Anodyne O=C1C=C(Nc2ccc(CO)cc2)C(=O)C=C1Nc1ccc(CO)cc1 ZINC000299828425 FE Annotated Mild O=C1COc2ccccc2N1CCCn1cc(C2(O)CCCCC2)nn1 ZINC000299828633 FE Annotated Anodyne COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@H]2c1ccccc1 ZINC000299831143 FE Annotated Anodyne COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1ccccc1 ZINC000299831148 FE Annotated Anodyne COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(N)c2c(c1)OCCO2 ZINC000299831527 FE Annotated Reactive COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(N)c2c(c1)OCCO2 ZINC000299831533 FE Annotated Reactive c1cncc(-c2ccc(-n3nnnc3CCCCN3CCOCC3)cc2)c1 ZINC000299833148 FE Annotated Anodyne CC[C@@](C)(O)c1cn([C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000299833586 FE Annotated Mild CC[C@](C)(O)c1cn([C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000299833587 FE Annotated Mild CC[C@](C)(O)c1cn([C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000299833589 FE Annotated Mild CC[C@@](C)(O)c1cn([C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000299833590 FE Annotated Mild COc1cc(/C=C/C(=O)[C@]2(CCN3CCCC3)CCOC2=O)ccc1O ZINC000299835926 FE Annotated Mild COc1cc(/C=C/C(=O)[C@@]2(CCN3CCCC3)CCOC2=O)ccc1O ZINC000299835928 FE Annotated Mild COc1ccc(OC)c(Oc2ccc3nnc(-c4cnn(C)c4)n3n2)c1 ZINC000299835964 FE Annotated Anodyne COc1ccc(C(=O)/C(=N\C2CCCC2)n2ncc(C#N)c2N)c(OC)c1 ZINC000299836023 FE Annotated Mild C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC(C)C ZINC000299836182 FE Annotated Anodyne O=C(NC1(CO)CCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 ZINC000299838747 FE Annotated Anodyne O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ncc([N+](=O)[O-])s1 ZINC000299839365 FE Annotated Bother COC(=O)CCCNC(=O)CSC1=C(C)C(=O)c2ccccc2C1=O ZINC000299839392 FE Annotated Mild C=CC(=O)N1CCN(c2ccc(/C=C3\C(=O)Nc4ncccc43)cc2)CC1 ZINC000299840291 FE Annotated Clean CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)[C@@H]2C1 ZINC000299840752 FE Annotated Reactive COC(=O)[C@H]1[C@@H]2CC(=O)c3[nH]c4ccccc4c3C[C@@H]1N(C)C=C2C(C)=O ZINC000299841088 FE Annotated Mild Cc1nc([N+](=O)[O-])cn1CCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000299841186 FE Annotated Bother COCCN1C(=O)[C@@]2(CC[C@H]3CN(Cc4ccccc4F)C[C@H]32)N=C1C ZINC000299841672 FE Annotated Anodyne O=C(Cc1ccsc1)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 ZINC000299841710 FE Annotated Anodyne O=C(NCCc1ccccn1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccoc2)O1 ZINC000299841715 FE Annotated Anodyne Cc1cccc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccsc3)C2)n1 ZINC000299841748 FE Annotated Anodyne CCOC(=O)[C@@]12CCCN(Cc3ccsc3)C[C@@H]1CN(CCOC)C2 ZINC000299841758 FE Annotated Anodyne Cc1ccc(O[C@H]2C[C@H]3CN(C(=O)Cc4ccccn4)CCN3C2)cc1 ZINC000299841803 FE Annotated Anodyne Cc1cccc(C(=O)N2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000299841820 FE Annotated Anodyne O=C(O)[C@@]12CCCN(Cc3ccsc3)C[C@@H]1CN(c1ncccn1)C2 ZINC000299841838 FE Annotated Anodyne O=C(Nc1cnccn1)[C@H]1CCO[C@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000299842025 FE Annotated Anodyne CCN1C(=O)[C@H]2CN(CC(C)C)C[C@@H]2C12CCN(C(=O)NC(C)C)CC2 ZINC000299842118 FE Annotated Anodyne O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@@H]2N(C(=O)c2ccsc2)C1 ZINC000299842132 FE Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(C(=O)C2CCOCC2)C[C@H]2CCCO[C@@H]12 ZINC000299842138 FE Annotated Anodyne Cc1cnc(N2C[C@H]3CN(Cc4ccco4)CCC[C@@]3(C(=O)O)C2)nc1 ZINC000299842143 FE Annotated Anodyne Cc1ncccc1NC(=O)[C@H]1C[C@H]2CCN(Cc3nccs3)C[C@@H]2O1 ZINC000299842174 FE Annotated Anodyne CCc1cnc(N2CC[C@H]3CN(CCC(C)C)S(=O)(=O)[C@@H]3CC2)nc1 ZINC000299842274 FE Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccco2)O1 ZINC000299842291 FE Annotated Anodyne O=C(C[C@@H]1COC[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCCO1 ZINC000299842472 FE Annotated Anodyne O=C(O)[C@@]12CCCN(Cc3cccs3)C[C@@H]1CN(c1ncccn1)C2 ZINC000299842501 FE Annotated Anodyne O=C(C1CC(F)(F)C1)N1C[C@H]2OCCN(Cc3ccsc3)C[C@@H]2C1 ZINC000299842609 FE Annotated Anodyne O=C(c1cccnc1)N1CCC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000299842703 FE Annotated Anodyne Cc1nc(CN2CCO[C@@H]3CN(C(=O)NC(C)C)CC[C@H]3C2)cs1 ZINC000299842705 FE Annotated Anodyne CO[C@H]1CCN(Cc2c(C)noc2C)[C@H]2CN(Cc3cccnc3)C[C@@H]12 ZINC000299842717 FE Annotated Anodyne O=C(c1cccs1)N1CC[C@H]2CN(C3CCOCC3)CCO[C@@H]2C1 ZINC000299842737 FE Annotated Anodyne O=C(Cc1ccccn1)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC000299842787 FE Annotated Anodyne CN(C)C(=O)[C@H]1C[C@H]2OCC[C@@H]2N(CCOc2ccc(Cl)cc2)C1 ZINC000299842800 FE Annotated Anodyne O=C(Cc1cccs1)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 ZINC000299842951 FE Annotated Anodyne O=C(NCc1cccs1)[C@H]1CC[C@H]2[C@@H](CCN2C2CCOCC2)O1 ZINC000299843044 FE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000299843069 FE Annotated Anodyne CCN1CC[C@]2(C(=O)N(C)C)CCN(C(=O)Cc3ccccc3)CC[C@@H]12 ZINC000299843146 FE Annotated Anodyne O=C(Cc1ccccc1F)N1C[C@H]2COC[C@@]2(COc2cccnc2)C1 ZINC000299843148 FE Annotated Anodyne CO[C@H]1CCN(Cc2c(C)noc2C)[C@H]2CN(Cc3ccncc3)C[C@@H]12 ZINC000299843167 FE Annotated Anodyne O[C@H]1CC(CNCc2ccc(Cl)cc2)(COc2cccnc2)C[C@@H]1O ZINC000299843216 FE Annotated Anodyne O[C@H]1CC(CNCc2cccc(Cl)c2)(COc2cccnc2)C[C@@H]1O ZINC000299843314 FE Annotated Anodyne O=C(NCc1ccccn1)[C@H]1CCO[C@H]2CCN(Cc3ccoc3)C[C@H]21 ZINC000299843508 FE Annotated Anodyne Cc1ncsc1CN1C[C@H]2COC[C@@]2(CNC(=O)c2ccccc2)C1 ZINC000299843533 FE Annotated Anodyne Cc1ccc(CN2CC[C@@H]3C(=O)N(Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000299843749 FE Annotated Anodyne Cc1nc(CN2CCO[C@H]3CN(Cc4nccs4)C[C@@H]3C2)cs1 ZINC000299843864 FE Annotated Anodyne O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@@H]2N(Cc2ccc3ccccc3n2)C1 ZINC000299843876 FE Annotated Anodyne Cc1cccc(C(=O)N2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)n1 ZINC000299843901 FE Annotated Anodyne Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccn2)cs1 ZINC000299843921 FE Annotated Anodyne CC1CCN(C(=O)[C@H]2C[C@H]3CCN(CC4CCOCC4)C[C@@H]3O2)CC1 ZINC000299843923 FE Annotated Anodyne CN1CCCCC[C@@H]1C(=O)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000299845326 FE Annotated Anodyne CN1CCCCC[C@H]1C(=O)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000299845327 FE Annotated Anodyne C[C@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299845540 FE Annotated Anodyne C[C@@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299845541 FE Annotated Anodyne O=C1N[C@@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000299846484 FE Annotated Anodyne O=C1N[C@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000299846485 FE Annotated Anodyne CN(CCCl)[P@]1(=O)OCC[C@H](OO)N1CCBr ZINC000299846514 FE Annotated Reactive CN(CCCl)[P@@]1(=O)OCC[C@H](OO)N1CCBr ZINC000299846516 FE Annotated Reactive CN(CCBr)[P@]1(=O)OCC[C@H](OO)N1CCCl ZINC000299846580 FE Annotated Reactive CN(CCBr)[P@@]1(=O)OCC[C@H](OO)N1CCCl ZINC000299846582 FE Annotated Reactive CN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 ZINC000299847703 FE Annotated Anodyne CN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 ZINC000299847704 FE Annotated Anodyne CN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 ZINC000299847705 FE Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN[C@H]1[C@H]1OC(C)(C)O[C@@H]21 ZINC000299848165 FE Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN[C@H]1[C@H]1OC(C)(C)O[C@H]21 ZINC000299848168 FE Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3[nH]2)C[C@H]2CN[C@H]1[C@@H]1OC(C)(C)O[C@@H]21 ZINC000299848171 FE Annotated Anodyne C[C@H]1CCC[C@@]2(O1)O[C@@H]1CC(=O)O[C@H]1C1=C2C(=O)c2ccccc2C1=O ZINC000299848901 FE Annotated Mild CS(=O)(=O)NCc1cc(-c2cc(F)cc(F)c2)nc(N2CCCC2)n1 ZINC000299849433 FE Annotated Anodyne COCC(=O)N1CC(=O)c2sc(Nc3ccc(F)cc3F)nc2C1 ZINC000299850216 FE Annotated Anodyne CCc1ccc(-c2ncc3c(n2)N(C)CCN(CCN(C)C)C3=O)cc1 ZINC000299850238 FE Annotated Anodyne CC(C)NC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c2cnn(C)c2n1 ZINC000299850273 FE Annotated Anodyne Cc1noc(C)c1-c1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC000299850336 FE Annotated Anodyne Cc1cc(Cl)ccc1-n1ncc(C(=O)NC[C@@H]2COC(C)(C)O2)c1N ZINC000299850620 FE Annotated Anodyne Cc1cc(Cl)ccc1-n1ncc(C(=O)NC[C@H]2COC(C)(C)O2)c1N ZINC000299850621 FE Annotated Anodyne Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000299850942 FE Annotated Anodyne COc1ccccc1CN1C[C@H](OC)CN(C(=O)OCC(C)C)CC1=O ZINC000299851466 FE Annotated Anodyne COc1ccccc1CN1C[C@@H](OC)CN(C(=O)OCC(C)C)CC1=O ZINC000299851467 FE Annotated Anodyne Cc1ncsc1C(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000299851477 FE Annotated Anodyne Cc1ncsc1C(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000299851478 FE Annotated Anodyne Cc1ccsc1C(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1 ZINC000299851565 FE Annotated Anodyne Cc1ccsc1C(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1 ZINC000299851566 FE Annotated Anodyne O=S1(=O)c2cnccc2O[C@H](COc2ccccc2)CN1CC1CC1 ZINC000299851613 FE Annotated Anodyne O=S1(=O)c2cnccc2O[C@@H](COc2ccccc2)CN1CC1CC1 ZINC000299851614 FE Annotated Anodyne CS(=O)(=O)N1C[C@@]2(CCN(Cc3ccccn3)C2)Cc2ccccc21 ZINC000299851813 FE Annotated Anodyne CS(=O)(=O)N1C[C@]2(CCN(Cc3ccccn3)C2)Cc2ccccc21 ZINC000299851814 FE Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000299851833 FE Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000299851834 FE Annotated Anodyne CC(C)COC(=O)N1[C@@H](c2ccco2)[C@@H](CO)C[C@]12CCCCNC2=O ZINC000299851967 FE Annotated Anodyne O=c1n(Cc2nc3cc(Cl)ccn3c2CO)c2cnccc2n1C1CC1 ZINC000299852071 FE Annotated Anodyne O=S1(=O)N[C@]2(CCCN(CCc3ccccc3)C2)COc2ccccc21 ZINC000299852403 FE Annotated Anodyne O=S1(=O)N[C@@]2(CCCN(CCc3ccccc3)C2)COc2ccccc21 ZINC000299852404 FE Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)N(C)CCc1ccccc1 ZINC000299852424 FE Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)N(C)CCc1ccccc1 ZINC000299852425 FE Annotated Anodyne O=S1(=O)c2cccnc2O[C@H](COc2ccccc2)CN1CC1CC1 ZINC000299852507 FE Annotated Anodyne O=S1(=O)c2cccnc2O[C@@H](COc2ccccc2)CN1CC1CC1 ZINC000299852508 FE Annotated Anodyne CC(C)c1ccc(-n2ncc(C(=O)NC[C@H]3COC(C)(C)O3)c2N)cc1 ZINC000299852514 FE Annotated Anodyne CC(C)c1ccc(-n2ncc(C(=O)NC[C@@H]3COC(C)(C)O3)c2N)cc1 ZINC000299852515 FE Annotated Anodyne O=C(c1nc2sccn2c1Cl)N1CCN(C2CCCC2)C(=O)C1 ZINC000299852584 FE Annotated Anodyne C[C@@]12Nc3cc(O)ccc3[C@]1(O)CCN2Cc1ccc(/C=C/C(N)=O)cc1 ZINC000299854214 FE Annotated Anodyne O=C(CCc1nc(O)c2ccccc2n1)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000299855493 FE Annotated Reactive CC(C)CN1C(=O)C(C(=O)c2ccc(O)cc2)C(=O)N(CC(C)C)C1=O ZINC000299855593 FE Annotated Anodyne Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3ccccc3)c2=O)c1 ZINC000299856155 FE Annotated Anodyne C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2ccc(C)cc2)c1=O ZINC000299858104 FE Annotated Mild Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2F)nn1 ZINC000299858344 FE Annotated Mild Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000299858737 FE Annotated Bother C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2cccc(C)c2)c1=O ZINC000299858779 FE Annotated Mild COc1cc2c(cc1O)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2 ZINC000299859185 FE Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1[C@@H](OC)[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000299860269 FE Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1[C@H](OC)[C@@H]1NC(=O)[C@H](C)NC1=O ZINC000299860273 FE Annotated Mild CC(C)COC(=O)N1CC(=O)N(Cc2ccc(Cl)cc2)C[C@H](O)C1 ZINC000299862491 FE Annotated Anodyne CC(C)COC(=O)N1CC(=O)N(Cc2ccc(Cl)cc2)C[C@@H](O)C1 ZINC000299862492 FE Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@@H]76)[C@@H]1OC(C)=O ZINC000299863302 FE Annotated Mild C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccc(F)cc2)n1 ZINC000299863707 FE Annotated Mild Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)c(F)c2)nn1 ZINC000299865033 FE Annotated Mild COc1ccc2c(c1O)NC(=O)CN=C2c1cc(OC)c(OC)c(OC)c1 ZINC000299866121 FE Annotated Anodyne CS(=O)(=O)Nc1cccc(-n2cc(-c3cccc([N+](=O)[O-])c3)[nH]c2=O)c1 ZINC000299866974 FE Annotated Bother COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)ccnn23)cc1OC ZINC000299867333 FE Annotated Anodyne Cc1ccc(-c2cnc(N3CCOCC3)c(Cn3cc(C=O)nn3)c2)cc1 ZINC000299867573 FE Annotated Anodyne C=C(C(=O)O)[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@@](C)(O)[C@H]2C[C@H](O)C(C)=C[C@H]21 ZINC000299867899 FE Annotated Mild C=C(C(=O)O)[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@@](C)(O)[C@@H]2C[C@H](O)C(C)=C[C@@H]12 ZINC000299867900 FE Annotated Mild CS(=O)(=O)c1cc(-c2cccc(Br)c2)nc(O)c1C#N ZINC000299868544 FE Annotated Mild COc1c(OC(C)=O)c(=O)n2c3ccccc3c3cc(OC(C)=O)nc1c32 ZINC000299868942 FE Annotated Bother COc1cc(C2=NCC(=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000299869230 FE Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@]5([C@H]1N(CC)[C@@H]1O[C@@H]5CC[C@]41C)[C@@H]3C[C@@H]2O ZINC000299869337 FE Annotated Mild COc1cc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc(OC)c1OC ZINC000299869714 FE Annotated Bother N#CC1(c2ccc(-c3ccc4c(c3)NC[C@H]3[C@@H](CO)OC(=O)N43)cn2)CC1 ZINC000299871129 FE Annotated Mild N#CC1(c2ccc(-c3ccc4c(c3)NC[C@@H]3[C@@H](CO)OC(=O)N43)cn2)CC1 ZINC000299871130 FE Annotated Mild N#CC1(c2ccc(-c3ccc4c(c3)NC[C@H]3[C@H](CO)OC(=O)N43)cn2)CC1 ZINC000299871131 FE Annotated Mild N#CC1(c2ccc(-c3ccc4c(c3)NC[C@@H]3[C@H](CO)OC(=O)N43)cn2)CC1 ZINC000299871132 FE Annotated Mild CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)s2)c(C(N)=O)n1 ZINC000299871618 FE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](O)CC1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000299872930 FE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](O)CC1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000299872931 FE Annotated Anodyne O=C([C@@H]1CC[C@@H](O)CC1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 ZINC000299872945 FE Annotated Anodyne O=C([C@@H]1CC[C@@H](O)CC1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 ZINC000299872946 FE Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000299877169 FE Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000299877170 FE Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000299877171 FE Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000299877172 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299878197 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299878198 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299878602 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000299878603 FE Annotated Anodyne COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 ZINC000299879410 FE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299880640 FE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299880641 FE Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 ZINC000299881367 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299882693 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299882694 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299883405 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299883406 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299883407 FE Annotated Anodyne C=C1C[C@H](O)[C@@H]2[C@H](CN3CCCCCC3)C(=O)O[C@@H]2[C@@H]2[C@H](C)C(=O)C[C@@H]12 ZINC000299884431 FE Annotated Anodyne C=C1C[C@H](O)[C@@H]2[C@H](CN3CCCCCC3)C(=O)O[C@@H]2[C@@H]2[C@H](C)C(=O)C[C@H]12 ZINC000299884432 FE Annotated Anodyne C=C1C[C@H](O)[C@@H]2[C@H](CN3CCCCCC3)C(=O)O[C@@H]2[C@H]2[C@@H]1CC(=O)[C@@H]2C ZINC000299884433 FE Annotated Anodyne C=C1C[C@H](O)[C@@H]2[C@H](CN3CCCCCC3)C(=O)O[C@@H]2[C@@H]2[C@@H](C)C(=O)C[C@@H]12 ZINC000299884434 FE Annotated Anodyne Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1 ZINC000003006101 FE Annotated Anodyne Cc1ccccc1CS(=O)(=O)CCC(=O)NCCN1CCCCCC1 ZINC000003006229 FE Annotated Anodyne Cc1ccccc1CS(=O)(=O)C[C@@H]1Nc2cc(C(=O)O)ccc2NC1=O ZINC000003031807 FE Annotated Anodyne Cc1ccccc1CS(=O)(=O)C[C@H]1Nc2cc(C(=O)O)ccc2NC1=O ZINC000003031808 FE Annotated Anodyne Cc1cc(C)n2nc(SCc3cc(=O)n4c(C)cccc4n3)nc2n1 ZINC000003033973 FE Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000003044406 FE Annotated Anodyne C[C@H](C(=O)N1CCC2(CC1)OCCO2)[C@@H]1Sc2ccccc2NC1=O ZINC000003047409 FE Annotated Anodyne C[C@@H](C(=O)N1CCC2(CC1)OCCO2)[C@@H]1Sc2ccccc2NC1=O ZINC000003047410 FE Annotated Anodyne C[C@H](C(=O)N1CCC2(CC1)OCCO2)[C@H]1Sc2ccccc2NC1=O ZINC000003047411 FE Annotated Anodyne C[C@@H](C(=O)N1CCC2(CC1)OCCO2)[C@H]1Sc2ccccc2NC1=O ZINC000003047413 FE Annotated Anodyne CC1CCN(S(=O)(=O)N2CCC(/C(O)=N/Cc3ccco3)CC2)CC1 ZINC000003060406 FE Annotated Mild CC(=O)/N=c1\c(C#N)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 ZINC000003180159 FE Annotated Mild CCO/C=C/[C@@](O)(CNC(=O)COc1ccccc1F)C(F)(F)F ZINC000003186410 FE Annotated Anodyne CCO/C=C/[C@](O)(CNC(=O)COc1ccccc1F)C(F)(F)F ZINC000003186413 FE Annotated Anodyne O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)NCCC1=CCCCC1 ZINC000003241286 FE Annotated Anodyne aggregator O=C(COC(=O)c1cc[n+]([O-])cc1)NCCc1ccc(Cl)cc1Cl ZINC000003300809 FE Annotated Anodyne O=C(NNC(=O)C1CC1)c1cc(Br)c(Br)s1 ZINC000003322887 FE Annotated Reactive CCC(CC)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000003332079 FE Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000003392737 FE Annotated Mild Nn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1 ZINC000003447576 FE Annotated Anodyne CCOC(=O)[C@]1(O)Oc2cc(OC)cc(OC)c2C(=O)[C@@H]1c1ccccc1 ZINC000003472307 FE Annotated Anodyne in-vitro CCOC(=O)[C@]1(O)Oc2cc(OC)cc(OC)c2C(=O)[C@H]1c1ccccc1 ZINC000003472312 FE Annotated Anodyne in-vitro COC(=O)C1=CO[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]1C[C@@H]1O[C@]12CO ZINC000301054582 FE Annotated Reactive COC(=O)C1=CO[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]1C[C@H]1O[C@]12CO ZINC000301054583 FE Annotated Reactive COC(=O)C1=CO[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]1C[C@H]1O[C@@]12CO ZINC000301054584 FE Annotated Reactive COC(=O)C1=CO[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]1C[C@@H]1O[C@@]12CO ZINC000301054585 FE Annotated Reactive CC(=O)Nc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3N4)cc2)cn1 ZINC000301054779 FE Annotated Anodyne CC(=O)Nc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3N4)cc2)cn1 ZINC000301054780 FE Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@H]1CC2 ZINC000030727473 FE Annotated Anodyne in-vitro Cc1c(C(=O)O)c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O ZINC000030728128 FE Annotated Anodyne in-vitro CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000030730186 FE Annotated Anodyne in-vitro CC1=C(CCC2=C[C@@H](O)OC2=O)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32 ZINC000031158136 FE Annotated Mild C[C@H]1CCC/C=C\[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)/C=C/C(=O)O1 ZINC000031494921 FE Annotated Anodyne O=S(=O)(O)Oc1ccc2ccc3ccccc3c2c1OS(=O)(=O)O ZINC000031705615 FE Annotated Bother in-vitro O=S(=O)(O)Oc1c(OS(=O)(=O)O)c2ccccc2c2ccccc12 ZINC000031705622 FE Annotated Bother in-vitro COc1cc(OS(=O)(=O)O)c2c(c1)cc(O)c1c(=O)cc(C)oc12 ZINC000031706309 FE Annotated Bother OCCN(CCO)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 ZINC000031872135 FE Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](O)[C@H](O)[C@@H](C)CCC/C(C)=C\CC[C@@]2(C)O ZINC000031894925 FE Annotated Mild COC(=O)/C=C(\C)C(=O)N(C)c1ccccc1I ZINC000031897021 FE Annotated Anodyne NC(N)=N/N=C\c1c(-c2cccc([N+](=O)[O-])c2)nc2sc(Cl)cn12 ZINC000031909812 FE Annotated Mild CCN1C(=O)/C(=C\N(C)C)S/C1=N\S(=O)(=O)c1ccc(C)cc1 ZINC000031929320 FE Annotated Mild O=C(O)C1=CN=C(C(=O)O)CS[C@H]1c1cn2c3c(sc2n1)CCC3 ZINC000031976933 FE Annotated Anodyne in-vivo CN1CCN(c2c(F)cc3c(c2F)[C@H](CCF)C=C(C(=O)O)C3=O)CC1 ZINC000031996245 FE Annotated Mild world c1ccc(-c2cc3ccc(N4CCNCC4)nc3nc2N2CCNCC2)cc1 ZINC000032063632 FE Annotated Anodyne O[C@@H]1CO[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000032063962 FE Annotated Anodyne COC(=O)/C=C1/SC(/C(=C(/O)OC)[n+]2ccc3ccccc3c2)=NC1=O ZINC000032069048 FE Annotated Clean CC(C)=CC(=O)O[C@H]1C[C@H]2O[C@]23C[C@@]2(O)OC(=O)C(C)=C2C[C@]3(C)[C@H]1C ZINC000032296387 FE Annotated Anodyne in-vitro biogenic CCCC(=O)O[C@@H]1C[C@]23OC(=O)C[C@]2(C[C@@]2(O)OC[C@]3(C)[C@@H]2C)[C@@H]1C ZINC000032297049 FE Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=Nc1ccccc14)[C@@H]1C[C@H]2[C@H](C=O)[C@@H](C)N13 ZINC000032297245 FE Annotated Mild Cc1nnnn1-c1cccc(C(=O)N2CCc3[nH]nc(C(C)C)c3C2)c1 ZINC000032534954 FE Annotated Anodyne O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000032541169 FE Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 ZINC000032998031 FE Annotated Anodyne Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCC(C)C)nnc3c2=O)c1 ZINC000033043112 FE Annotated Anodyne CN1CCc2cc3c(cc2[C@@H]1[C@@H]1C(=O)Oc2c1ccc1c2OCO1)OCO3 ZINC000033301107 FE Annotated Anodyne O=C(CSc1ncccn1)N/N=C\c1cccc(OC2CSC2)c1 ZINC000033305243 FE Annotated Reactive C[C@@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCOCC1 ZINC000033402435 FE Annotated Anodyne C[C@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCOCC1 ZINC000033402436 FE Annotated Anodyne C[C@](CN1CCOCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000033403117 FE Annotated Anodyne C[C@@](CN1CCOCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000033403118 FE Annotated Anodyne COC(=S)NC[C@H]1CN(c2ccc3c(c2)-n2cccc2COC3)C(=O)O1 ZINC000033488743 FE Annotated Anodyne in-vivo COC(=O)c1ccc([C@H]2C=C(C(=O)O)O[C@@H](OCCCCO)C2)cc1 ZINC000033749280 FE Annotated Anodyne COC(=O)c1ccc([C@@H]2C=C(C(=O)O)O[C@H](OCCCCO)C2)cc1 ZINC000033749286 FE Annotated Anodyne C=C[C@]12C=CCN3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32 ZINC000033807688 FE Annotated Mild C[C@H]1C[C@@H](O)[C@@]2(CO)[C@@H](CCC[C@@]23CO3)[C@]1(C)[C@H]1C[C@@H]2C=CO[C@@H]2O1 ZINC000033830242 FE Annotated Anodyne in-vitro biogenic COC1=C[C@]23CCN(C)[C@]2(CCc2cc4c(c(OC)c23)OCO4)CC1=O ZINC000033830595 FE Annotated Mild in-vitro biogenic C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000033830930 FE Annotated Bother in-vitro biogenic C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000033830931 FE Annotated Bother C[C@@]12c3ccc4c(c3CN[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3)OCO4 ZINC000033831974 FE Annotated Anodyne O[C@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@H]1CO[C@@H]2c1ccc2c(c1)OCO2 ZINC000033832020 FE Annotated Anodyne in-vitro biogenic C[N+]1=C(Cc2ccc3c(c2C(=O)O)OCO3)c2cc3c(cc2CC1)OCO3 ZINC000033832249 FE Annotated Anodyne in-vitro biogenic COc1ccc(CC2=[N+](C)CCc3cc(O)c(O)cc32)c(C(=O)O)c1OC ZINC000033832250 FE Annotated Clean in-vitro biogenic C[C@]1([C@H](O)CO)CC[C@H]2C(=CC[C@@H]3[C@](C)(C(=O)O)[C@@H](O)CC[C@@]32C)C1 ZINC000033834067 FE Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)cc1)NN/C=C1\C=C(Br)C=CC1=O ZINC000033849028 FE Annotated Reactive CC[C@@]12CCCN3CC[C@]4(c5cccc(O)c5N(C(C)=O)[C@@H]4[C@@H](O)C1)[C@H]32 ZINC000033903741 FE Annotated Anodyne O=C1C=C/C(=C\NNC(=O)CSc2nc3ccccc3s2)C(O)=C1 ZINC000033907619 FE Annotated Reactive C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000033913813 FE Annotated Mild in-vitro biogenic CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000033985788 FE Annotated Anodyne CN1CCN(c2nccc([C@@H](C#N)c3nc4ccccc4s3)n2)CC1 ZINC000034021691 FE Annotated Mild CN1CCN(c2nccc([C@H](C#N)c3nc4ccccc4s3)n2)CC1 ZINC000034021692 FE Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H]2C/C(=C\COCC(=O)O)C[C@H]2C[C@H]1O ZINC000034049428 FE Annotated Anodyne in-vitro O=C(Cn1nc2ccc(Cl)cc2n1)NC[C@@H]1CCCN2CCCC[C@H]12 ZINC000034136558 FE Annotated Anodyne CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@H]3OC(=O)c1ccccc1 ZINC000034136634 FE Annotated Mild CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3OC(=O)c1ccccc1 ZINC000034136635 FE Annotated Mild C=C[C@@]1(C)C[C@]2(C=C(CO)[C@@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21 ZINC000034172582 FE Annotated Mild C=C[C@@]1(C)C[C@@]2(C=C(CO)[C@@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21 ZINC000034172584 FE Annotated Mild CCOC1=C/C(=C/NNC(=O)c2c(C)nc3ccc(Cl)cn23)C=CC1=O ZINC000034222036 FE Annotated Reactive CNC(=O)NC(=O)/C(=C/C1CCCC1)c1ccc(-n2nnnc2C)c(F)c1 ZINC000034282845 FE Annotated Anodyne COC1=C(OC)[C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4[C@@]2(CCN3C)CC1=O ZINC000034287817 FE Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@@H](C)[C@@H](O)C[C@H](C1)[C@@H]23 ZINC000034287836 FE Annotated Anodyne Cc1nc2ccccc2c(=O)n1CCCNC(=O)C1=CC(C)(C)NC1(C)C ZINC000034305965 FE Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000034329094 FE Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCC(=O)OC)(C(=O)OC)CC2=O ZINC000034404788 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OC)(C(=O)OC)CC2=O ZINC000034404789 FE Annotated Anodyne CO[C@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](OC)[C@@H]4CO)ccc2[C@@H]1CO ZINC000034443400 FE Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000034443939 FE Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@H](O1)[C@](C)(O)CCC2=O ZINC000034515389 FE Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2C/C=C1/C(=O)OC[C@H]1O ZINC000034640725 FE Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)C(=C(C)C)C(=O)[C@@]2(O)O[C@@H]1C(=O)[C@@H]2C ZINC000034640909 FE Annotated Mild CC(=O)C[C@@H]1C[C@@H]2N3[C@@H](C[C@]24C(=O)N(C)c2ccccc24)[C@@H]1CO[C@@H]3C ZINC000034753938 FE Annotated Anodyne O=C(O[C@H]1CCN2C[C@H]3C[C@H](C(=O)N4CCCC[C@H]34)[C@@H]2C1)c1ccc[nH]1 ZINC000034773595 FE Annotated Anodyne CCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(I)cc12 ZINC000034817180 FE Annotated Anodyne CCOc1ccc(S(=O)(=O)NC[C@H]2CCCN2CC)c2cccnc12 ZINC000034859972 FE Annotated Anodyne CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN2CC)c2cccnc12 ZINC000034859974 FE Annotated Anodyne CCOc1ccccc1NC(=O)CCCN1C(=O)c2cccnc2C1=O ZINC000034860280 FE Annotated Anodyne C[C@@H]1CCC[C@H](/N=C(\O)[C@]2(C)CCC(=O)N2CCN2CCOCC2)[C@@H]1C ZINC000034861330 FE Annotated Mild CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@]12OC(=O)c1ccccc12 ZINC000034867557 FE Annotated Bother CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@]12OC(=O)c1ccccc12 ZINC000034867558 FE Annotated Bother O=C(CCNC(=O)c1ccccc1)N/N=C\c1ccc(Br)o1 ZINC000034868458 FE Annotated Reactive CCOc1ccccc1CN1CCc2nc(N3CCN(C)CC3)ncc2C1 ZINC000034870516 FE Annotated Anodyne Nc1n[nH]c2c1[C@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000034891642 FE Annotated Anodyne CCSCCNCCCNCCCNCCCNCCSCC ZINC000034893860 FE Annotated Anodyne CCNCCCNCCCNCCCNCCSc1ccccc1 ZINC000034893954 FE Annotated Anodyne Cc1ccc(-c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)c(Cl)[n+]1[O-] ZINC000034894421 FE Annotated Clean O=c1c2ccc(NCCO)c3c2n(c(=O)n1-c1cccc(Cl)c1)CCC3 ZINC000034947964 FE Annotated Anodyne O=c1c2cccc3c2n(c(=O)n1-c1cccc(Cl)c1)CCN3CCCO ZINC000034948272 FE Annotated Anodyne Cc1c(NCCO)ccc2c(=O)n(-c3cccc(Cl)c3)c3nncn3c12 ZINC000034948570 FE Annotated Anodyne Cc1c(NCCO)ccc2c(=O)n(-c3cccc(Cl)c3)c(=O)n(C)c12 ZINC000034950284 FE Annotated Anodyne COC(=O)c1cc2c(cc1OC)CCN1CCC3=C[C@@H]4OCO[C@@H]4C[C@]321 ZINC000034960769 FE Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(C[C@@H](C)O)no1 ZINC000003590197 FE Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(C[C@H](C)O)no1 ZINC000003590199 FE Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CCCO)no1 ZINC000003590213 FE Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CCO)no1 ZINC000003590214 FE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccoc2)CC1)c1c[nH]c2cccc(F)c12 ZINC000003591240 FE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1c[nH]c2cccc(F)c12 ZINC000003591247 FE Annotated Anodyne O=C1c2cc3ccoc3cc2O[C@H]2COc3cc4c(cc3[C@@]12O)OCO4 ZINC000003596885 FE Annotated Anodyne in-man endogenous CCCCNC(=O)Nc1c(C(N)=O)c2n(c1C(=O)OCC)CCCCC2 ZINC000003597188 FE Annotated Anodyne CCOC(=O)c1ccc2c(c1)C(=O)c1nc3c(OC)cccc3c(=O)n1-2 ZINC000003597687 FE Annotated Anodyne CCOC(=O)[C@@H](C#N)[C@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1 ZINC000003611266 FE Annotated Mild CCOC(=O)[C@H](C#N)[C@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1 ZINC000003611268 FE Annotated Mild CCOC(=O)[C@@H](C#N)[C@@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1 ZINC000003611270 FE Annotated Mild CCOC(=O)[C@H](C#N)[C@@H]1NS(=O)(=O)c2cc(C)c(Cl)cc2S1 ZINC000003611273 FE Annotated Mild C=C(C)CCN1C/C(=C2/SC(=O)NC2=O)c2ccccc2S1(=O)=O ZINC000003630095 FE Annotated Mild Cc1c(N2CC[C@@H](N(C)C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003637711 FE Annotated Anodyne Cc1c(N2CC[C@H](N(C)C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003637720 FE Annotated Anodyne CN[C@@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1 ZINC000003637725 FE Annotated Anodyne Cc1c(N2CCC[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003637750 FE Annotated Anodyne Cc1c(N2CC[C@@H](CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003637752 FE Annotated Anodyne Cc1c(N2CC[C@H](CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003637755 FE Annotated Anodyne Cc1c(N2CC[C@@H]3CNC[C@@H]32)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003637762 FE Annotated Anodyne Cc1c(N2CC[C@H]([C@@H](C)N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003637777 FE Annotated Anodyne COc1nc(NCC(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 ZINC000003644986 FE Annotated Anodyne Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000003645021 FE Annotated Anodyne Cc1c(N2CC[C@@H]([C@@H](C)N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003646667 FE Annotated Anodyne Cc1c(N2CC[C@](C)(N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003646695 FE Annotated Anodyne Cc1c(N2CC[C@@](C)(N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003646697 FE Annotated Anodyne N#Cc1c(O)nc(N2CCN(c3ccccc3)CC2)nc1-c1cccnc1 ZINC000003649613 FE Annotated Mild O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl ZINC000003660567 FE Annotated Anodyne C[C@H]1Cc2ccccc2N1C(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000003660570 FE Annotated Anodyne O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCCc2ccccc21 ZINC000003665123 FE Annotated Anodyne Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)c1 ZINC000003665162 FE Annotated Anodyne CN1CCC(N(C)C(=S)NC(=O)c2ccc(Br)cc2)CC1 ZINC000003669673 FE Annotated Anodyne CCc1c(C)sc(NC(=O)c2c(Br)cnn2C)c1C(N)=O ZINC000003671165 FE Annotated Anodyne CO[C@H](CO)C(=O)O[C@@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000003775429 FE Annotated Bother CC(=O)N(C)c1ccc2c(c1)[C@@H](n1ccccc1=O)[C@H](O)C(C)(C)C2=O ZINC000003775890 FE Annotated Anodyne O=P(O)(O)C(Cc1ccccc1)(Oc1ccc(O)cc1)P(=O)(O)O ZINC000003777534 FE Annotated Anodyne C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)cc3n21 ZINC000003777766 FE Annotated Anodyne COc1sc(C(=O)Nc2nnn[nH]2)c(OC(C)C)c1Br ZINC000003779330 FE Annotated Anodyne Cc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000003781904 FE Annotated Anodyne CN(C(=O)c1c(O)c2cc([S@@](C)=O)ccc2n(C)c1=O)c1ccccc1 ZINC000003784611 FE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(CN4CCCCC4)cc3)C[C@H]12 ZINC000003789120 FE Annotated Anodyne CN(C)C1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000003796397 FE Annotated Anodyne O=C(NC[C@H]1CN(c2ccccc2)CCN1)c1ccc(-n2ccnc2)cc1 ZINC000003796630 FE Annotated Anodyne CN(C)CCC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21 ZINC000003803500 FE Annotated Anodyne Cc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1S(=O)(=O)N2C ZINC000003803506 FE Annotated Anodyne COc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)ccc1=O ZINC000003807480 FE Annotated Anodyne CNc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)ccc1=O ZINC000003807484 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C)n[nH]c2-3)C(=O)O1 ZINC000003820990 FE Annotated Anodyne Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003824282 FE Annotated Anodyne Nc1nc2c(nc(Br)n2[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000003842935 FE Annotated Anodyne O=P(O)(O)Oc1ccc(Cc2ccc(OP(=O)(O)O)cc2)cc1 ZINC000003871034 FE Annotated Anodyne in-vivo CN1C[C@@H](CS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000003873775 FE Annotated Clean CC1CCC(C(=O)N[C@H](C(=O)NCCCN2CCCC2=O)C(C)C)CC1 ZINC000003895693 FE Annotated Anodyne CC1CCC(C(=O)N[C@@H](C(=O)NCCCN2CCCC2=O)C(C)C)CC1 ZINC000003895694 FE Annotated Anodyne CN(C)NC(=O)[C@H](NC(=O)c1ccc(N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000003900402 FE Annotated Reactive CN(C)NC(=O)[C@@H](NC(=O)c1ccc(N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000003900403 FE Annotated Reactive CCOC(=O)N1CCC(NC(=O)c2oc3c(c2C)-c2n[nH]cc2CC3)CC1 ZINC000003907794 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=CC#N)CC3)c(F)c2)C(=O)O1 ZINC000003916441 FE Annotated Reactive N=C(N)c1ccc(-c2csc(NC3CCN(CC(=O)O)CC3)n2)cc1 ZINC000003918478 FE Annotated Anodyne COc1c(N2CC[C@@H]([C@H](C)N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000003941690 FE Annotated Anodyne O=C(O)C[C@@H]1OCC=C2CN3CC[C@]45c6ccccc6N[C@H]4[C@H]1[C@H]2C[C@H]35 ZINC000003954351 FE Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@H](CC)CC[C@@H]3C)ccc2[nH]c1=O ZINC000003955095 FE Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@@H](CC)CC[C@H]3C)ccc2[nH]c1=O ZINC000003955097 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 ZINC000003955485 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3Cc4ccncc4C3)c(F)c2)C(=O)O1 ZINC000003955486 FE Annotated Anodyne COc1ccccc1CN1CCCC2(CCN(S(C)(=O)=O)CC2)C1 ZINC000003955816 FE Annotated Anodyne N#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4cnccn4)C3)C2)cc1 ZINC000003956161 FE Annotated Mild O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000003956256 FE Annotated Anodyne N#Cc1ccc(CN2CC3(CCN(C(=O)c4csnn4)CC3)C2)cc1 ZINC000003956340 FE Annotated Mild CCOC(=O)[C@@]1(O)Oc2cc(OC)cc(OC)c2C(=O)[C@H]1c1ccccc1 ZINC000003978965 FE Annotated Anodyne in-vitro CCOC(=O)[C@@]1(O)Oc2cc(OC)cc(OC)c2C(=O)[C@@H]1c1ccccc1 ZINC000003978968 FE Annotated Anodyne in-vitro Cc1c(N2CC[C@H](C)[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003981630 FE Annotated Anodyne O=P(O)(O)CN[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nn[nH]n1 ZINC000003981919 FE Annotated Anodyne COC(=O)N1CC=C(c2ccc(C3=NO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000003985824 FE Annotated Anodyne C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CC[C@]12O)[C@@]1(CO1)C3 ZINC000035066353 FE Annotated Anodyne C[C@@]12[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13CC(=O)[C@@](CO)(CC[C@@H]21)C3 ZINC000035066360 FE Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1 ZINC000035075423 FE Annotated Bother Cc1nc(CS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])n1C ZINC000035075782 FE Annotated Bother Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1C[C@@H](C)O ZINC000035075787 FE Annotated Bother Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1C[C@H](C)O ZINC000035075788 FE Annotated Bother Cn1cnc(CS(=O)(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000035075789 FE Annotated Bother CN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 ZINC000035079193 FE Annotated Anodyne C[C@]12[C@H](CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]41)C(=O)O[C@@H](c1ccoc1)[C@@H]2O ZINC000035086316 FE Annotated Anodyne C[C@]12C(=CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]41)C(=O)O[C@@H](c1ccoc1)[C@@H]2O ZINC000035086324 FE Annotated Anodyne C/C=C1/CN(C)C[C@]2(C(=O)OC)[C@H]1CC(=O)c1[nH]c3ccccc3c1[C@@H]2O ZINC000035241607 FE Annotated Anodyne O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2cccnc2)C=C1 ZINC000035323461 FE Annotated Mild COc1ccc(OC)c(CNc2nc3nc4c(c(O)n3n2)CCCC4)c1 ZINC000035562375 FE Annotated Anodyne Cc1cc(Cl)ccc1N1C(=O)C(SCCO)=C(SCCO)C1=O ZINC000035826022 FE Annotated Anodyne C[C@H]1CC[C@H]2[C@H]3CC(=O)[C@H](Cn4c(=O)[nH]c5c(=O)[nH]cnc54)[C@@]13CC2(C)C ZINC000035846809 FE Annotated Anodyne CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc12 ZINC000035900583 FE Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(=O)c2c(O)c3n(c12)[C@@H](C)CN(C)C3=O ZINC000035950516 FE Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(=O)c2c(O)c3n(c12)[C@H](C)CN(C)C3=O ZINC000035950517 FE Annotated Anodyne COc1ccc(-n2ncc3c(N4CCNCC4)nc(C4CC4)nc32)cc1 ZINC000035988537 FE Annotated Anodyne COCc1nc(N2CCNCC2)c2c(C)nn(-c3cccc(Cl)c3)c2n1 ZINC000035990599 FE Annotated Anodyne Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000036006788 FE Annotated Anodyne COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C23CC3)cc1OC ZINC000036076376 FE Annotated Anodyne COC(=O)C[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 ZINC000036080029 FE Annotated Anodyne COC(=O)C[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 ZINC000036080030 FE Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1O ZINC000036124798 FE Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@H]1O ZINC000036124800 FE Annotated Anodyne NC(=O)CNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000036126803 FE Annotated Reactive O=C(O)COc1ccc([N+](=O)[O-])cc1C(=O)c1cnn(-c2ccccc2)c1 ZINC000036127035 FE Annotated Bother N[C@H]1N=CNc2c(CN3C[C@H](O)[C@H](CSc4ccccc4)C3)c[nH]c21 ZINC000036143635 FE Annotated Anodyne N[C@H]1N=CNc2c(CN3C[C@H](CSc4ccccc4)[C@@H](O)C3)c[nH]c21 ZINC000036143638 FE Annotated Anodyne Nc1c(-c2nc3ccc(N4CCOCC4)[nH]c-3n2)c(O)nc2ccccc12 ZINC000036176827 FE Annotated Anodyne O=C(Nc1nc2ccccc2n1[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036184952 FE Annotated Bother O=C(Nc1nc2ccccc2n1[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036184953 FE Annotated Bother CCOC(=O)Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000036184966 FE Annotated Bother N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1CCN1CCCCC1 ZINC000036289093 FE Annotated Reactive Cn1cc(/C=C2\C(=O)NN=C2c2nccs2)c2cc3c(cc21)OCO3 ZINC000036338808 FE Annotated Clean C=C(C(=O)/C=C/C(C)(C)O)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C ZINC000036374532 FE Annotated Mild C=C(C(=O)/C=C/C(C)(C)O)[C@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C ZINC000036374533 FE Annotated Mild CC1=C(CCC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32 ZINC000036374625 FE Annotated Mild CC1=C(CCC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@@H](C1=O)[C@@H]32 ZINC000036374628 FE Annotated Mild CC1=C(CCC2=CC(=O)O[C@H]2O)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32 ZINC000036374631 FE Annotated Mild CC1=C(CCC2=CC(=O)O[C@H]2O)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@@H](C1=O)[C@@H]32 ZINC000036374633 FE Annotated Mild C=C1C2=C(O[C@H](/C(C)=C/[C@H](C)C[C@H](C)CC)[C@@H](O)[C@@H]2O)C(=O)N1OC ZINC000036375291 FE Annotated Anodyne C=C1C2=C(O[C@H](/C(C)=C/[C@H](C)C[C@@H](C)CC)[C@@H](O)[C@@H]2O)C(=O)N1OC ZINC000036375293 FE Annotated Anodyne C=C1C2=C(O[C@H](/C(C)=C/[C@@H](C)C[C@H](C)CC)[C@@H](O)[C@@H]2O)C(=O)N1OC ZINC000036375295 FE Annotated Anodyne C=C1C2=C(O[C@H](/C(C)=C/[C@@H](C)C[C@@H](C)CC)[C@@H](O)[C@@H]2O)C(=O)N1OC ZINC000036375297 FE Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375615 FE Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]2(O)CO)[C@@]1(C)CCc1ccoc1 ZINC000036378726 FE Annotated Anodyne C[C@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]2(O)CO)[C@@]1(C)CCc1ccoc1 ZINC000036378727 FE Annotated Anodyne C[C@@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]2(O)CO)[C@@]1(C)CCc1ccoc1 ZINC000036378728 FE Annotated Anodyne C[C@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@H](O)[C@]2(O)CO)[C@@]1(C)CCc1ccoc1 ZINC000036378729 FE Annotated Anodyne COC1=C[C@H](C(=O)NCCOC(C)=O)[C@H](C)[C@@H](c2ccccc2)CC1=O ZINC000036381823 FE Annotated Mild COC(=O)C1=C(C)N(CC[C@H](C)O)C(=O)N(C(C)=O)[C@H]1c1ccccc1 ZINC000036382035 FE Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O ZINC000036382380 FE Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O ZINC000036382381 FE Annotated Anodyne CC[C@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(C)cc2)C1=O ZINC000036382422 FE Annotated Anodyne CC[C@@H]1Nc2ncnc(N3CCOCC3)c2N(Cc2ccc(C)cc2)C1=O ZINC000036382423 FE Annotated Anodyne O=C(O)/C=C/c1ccc2c(c1)S(=O)(=O)N(C1CCCC1)[C@H]2CC(=O)O ZINC000036382961 FE Annotated Anodyne Cc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCCN)cc1 ZINC000036383462 FE Annotated Bother COc1ccc2c(C(=O)c3ccc(C)cc3)n(CCCC(N)=O)[n+]([O-])c2c1 ZINC000036383483 FE Annotated Anodyne NCCCn1c(C(=O)c2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc2[n+]1[O-] ZINC000036383493 FE Annotated Bother CCCCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 ZINC000036383556 FE Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccc(O)cc1O ZINC000036384515 FE Annotated Reactive Cc1ccc(-n2nc(C)c(/C=N/NC(=O)c3ccc(O)cc3O)c2O)cc1 ZINC000036384516 FE Annotated Reactive C=C/C1=C\Cc2ccccc2[C@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 ZINC000036384609 FE Annotated Bother C=C/C1=C\Cc2ccccc2[C@@H](C[N+](=O)[O-])C(C(=O)OC)(C(=O)OC)C1 ZINC000036384610 FE Annotated Bother CCn1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c(C)n1 ZINC000036385770 FE Annotated Anodyne CC(C)N1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1CCO ZINC000036385799 FE Annotated Anodyne C[C@@H](O)CC[C@@H](C)O[C@@]1(c2ccccc2)O[C@@H]2C[C@@H](O)[C@@H](C)O[C@@H]2O1 ZINC000036386589 FE Annotated Anodyne C[C@@H]1O[C@@H]2O[C@](O[C@H](C)CC[C@@H](C)O)(c3ccccc3)O[C@@H]2C[C@H]1O ZINC000036386590 FE Annotated Anodyne COCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1cccc(C#N)c1)C2 ZINC000036388594 FE Annotated Mild COc1cc2cc(CCCOC(=O)CCC(=O)O)oc(=O)c2cc1OC ZINC000036388717 FE Annotated Anodyne COc1cc2cc(CCOC(=O)CCCC(=O)O)oc(=O)c2cc1OC ZINC000036388719 FE Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000036389423 FE Annotated Anodyne C[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@H]1O)O2 ZINC000036472089 FE Annotated Anodyne CO[C@H](CN1CCN(c2ccccn2)CC1)/C(=N/O)c1cccc(C)c1 ZINC000036475920 FE Annotated Mild CO[C@@H](CN1CCN(c2ccccn2)CC1)/C(=N/O)c1cccc(C)c1 ZINC000036475921 FE Annotated Mild COC1=CC=C/C(=C\NNC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)C1=O ZINC000036498706 FE Annotated Mild COC1=CC=C/C(=C\NNC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)C1=O ZINC000036498707 FE Annotated Mild O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccc([N+](=O)[O-])cc2)C=C1 ZINC000377466632 FE Annotated Bother O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccccc2[N+](=O)[O-])C=C1 ZINC000377466638 FE Annotated Bother CC(C)Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377797806 FE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377803817 FE Annotated Anodyne CN(C)CCCNc1c(C#N)n(O)c2cc(C(F)(F)F)ccc2[n+]1=O ZINC000377808478 FE Annotated Mild COc1ccc2cc3n(cc-2c1=NCCO)CCc1cc2c(cc1-3)OCO2 ZINC000377810675 FE Annotated Anodyne CCN(CC)CCNc1c(C#N)n(O)c2cc(C(F)(F)F)ccc2[n+]1=O ZINC000377811140 FE Annotated Mild CCOC(=O)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 ZINC000377815852 FE Annotated Anodyne CNC(=O)N=c1cccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)cn12 ZINC000377819943 FE Annotated Anodyne CC(=O)N=c1cccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)cn12 ZINC000377819985 FE Annotated Anodyne CN(C/C=C/c1ccccc1)Cc1ccc2c(c1)n(O)c(C#N)c(N)[n+]2=O ZINC000377820011 FE Annotated Mild COc1ccccc1COC(=O)c1cnn2c1[nH][n+](=O)c1ccc(C)cc12 ZINC000377830175 FE Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)Oc3cccs3)c1[nH][n+]2=O ZINC000377830448 FE Annotated Anodyne CC(=O)N=c1cccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)cn12 ZINC000377836374 FE Annotated Anodyne COc1cc(Nc2c(C#N)n(O)c3ccccc3[n+]2=O)cc(OC)c1OC ZINC000377840977 FE Annotated Mild Cn1cnc(-c2cnn3c2[nH][n+](=O)c2ccc(OCc4ccccc4)cc23)n1 ZINC000377845409 FE Annotated Anodyne Cn1ncnc1-c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 ZINC000377845531 FE Annotated Anodyne O=[n+]1[nH]c2c(-c3nc[nH]n3)cnn2c2cc(OCc3ccccc3)ccc21 ZINC000377845532 FE Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)n(O)c2ccc(C(=O)OC)cc2[n+]1=O ZINC000377845673 FE Annotated Anodyne COC(=O)c1ccc2c(c1)n(O)c(C(=O)C(C)C)c(C(F)(F)F)[n+]2=O ZINC000377845675 FE Annotated Anodyne Cc1ccc2c(c1)n(O)c(C#N)c(NC(=O)c1ccc([N+](=O)[O-])s1)[n+]2=O ZINC000377845800 FE Annotated Mild C[C@@]12Nc3cc(O)ccc3[C@]1(O)CCN2Cc1ccc(/C=C\C(N)=O)cc1 ZINC000377853491 FE Annotated Anodyne CCCOc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000378155745 FE Annotated Anodyne CSc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000378155746 FE Annotated Anodyne O=C(OCc1ccncc1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000378483927 FE Annotated Anodyne CC[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC ZINC000038141213 FE Annotated Anodyne COC(=O)C1=C(C)N(CC[C@@H](C)O)C(=O)N(C(C)=O)[C@H]1c1ccccc1 ZINC000038142402 FE Annotated Anodyne COC(=O)C1=C(C)N(CC[C@@H](C)O)C(=O)N(C(C)=O)[C@@H]1c1ccccc1 ZINC000038142403 FE Annotated Anodyne COC(=O)C1=C(C)N(CC[C@H](C)O)C(=O)N(C(C)=O)[C@@H]1c1ccccc1 ZINC000038142404 FE Annotated Anodyne CCOC(=O)N1CCC(N2CCN(CCC(C)C)[C@H](CCO)C2)CC1 ZINC000038149346 FE Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2N1 ZINC000038149661 FE Annotated Anodyne COc1ccc2c(=O)n(C[C@H](O)CO)c(C#N)c(-c3cccc(F)c3)c2c1 ZINC000038149669 FE Annotated Mild COc1ccc2c(=O)n(C[C@@H](O)CO)c(C#N)c(-c3cccc(F)c3)c2c1 ZINC000038149670 FE Annotated Mild COc1ccc(CCn2nnn[n+]2C2(c3ccc(C)c(C)c3)CC2)cc1 ZINC000038149898 FE Annotated Anodyne CCNc1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc(C)cc1)C2=O ZINC000038152145 FE Annotated Mild CC(=O)c1ccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1 ZINC000038153691 FE Annotated Mild CC(=O)c1ccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1 ZINC000038153692 FE Annotated Mild C[C@@H]1CC/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000038153710 FE Annotated Mild C[C@H]1CC/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000038153711 FE Annotated Mild COc1cc(OC)c(OC)cc1/C=N\N=C(\S)NC[C@@H]1CCCO1 ZINC000038164099 FE Annotated Mild COc1ccc(OC)c(/C=N\Nc2cc(C)nc(N3CCOCC3)n2)c1 ZINC000038206721 FE Annotated Mild CCCC[C@@]1(O)CC(=O)c2c(Cc3cc(O)cc(=O)o3)cc(O)cc2O1 ZINC000038208754 FE Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@H]([S@](=O)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000038208773 FE Annotated Anodyne C=C[C@@]1(C)C(=O)C=C([C@@](C)(O)COC(C)=O)C[C@H]1C(=C)COC(C)=O ZINC000038230629 FE Annotated Mild O=C(OC[C@@]12O[C@@H]1C=C[C@@H](OC(=O)c1ccccc1)[C@@H]2O)c1ccccc1 ZINC000038261016 FE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCCSSCCO[N+](=O)[O-] ZINC000038278958 FE Annotated Reactive CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@@]1(CO1)[C@@H]2C/C=C1\CCOC1=O ZINC000038287809 FE Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C=O)=C\CC[C@]3(COC(=O)C=C(C)C)O[C@@H]3C[C@H]12 ZINC000038288583 FE Annotated Reactive C/C=C1\CN[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000038288929 FE Annotated Anodyne COC(=O)[C@@]1(CCC2=CC(=O)O[C@H]2O)[C@H]2CC(=O)C=C(C)[C@H]2CC[C@H]1C ZINC000038330887 FE Annotated Mild in-vitro biogenic CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1 ZINC000038345360 FE Annotated Anodyne CC1(C)CCC[C@@]23C(=O)O[C@@H](C[C@@H]12)c1cc(C(CO)CO)c(O)c(O)c13 ZINC000038388257 FE Annotated Clean C[C@@]12CC[C@@H]3[C@@](CC1=O)(C2)[C@@H](O)C[C@H]1[C@@]3(C)[C@@H](O)CC[C@@]1(C)C(=O)O ZINC000038422528 FE Annotated Anodyne CC(C)S(=O)(=O)NCCCCCCCCCNS(=O)(=O)C(C)C ZINC000038445416 FE Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]23CO3)C1(C)C ZINC000038494296 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CCC2=C[C@@]3(O)OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000038494967 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@@H](O)CC(=O)[C@]21C ZINC000038495106 FE Annotated Anodyne biogenic O=C1O[C@H]([C@@H]2NCCc3cc4c(cc32)OCO4)c2ccc3c(c21)OCO3 ZINC000038543152 FE Annotated Anodyne CN1[C@H]2Cc3cc4c(cc3[C@]23Cc2ccc5c(c2[C@H]1O3)OCO5)OCO4 ZINC000038793135 FE Annotated Anodyne O=C1N/C(=C\c2c[nH]c3cc(Br)ccc23)C(=O)N2CCC[C@H]12 ZINC000038794040 FE Annotated Anodyne CC(C)CCC[C@H](O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO ZINC000038795087 FE Annotated Anodyne CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2F)C1 ZINC000038798466 FE Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC(=O)[C@H](C)[C@@]12C ZINC000038824725 FE Annotated Anodyne Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1CC(=O)c1ccc(Cl)cc1 ZINC000038846331 FE Annotated Bother C[C@@H]1CC(=O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000038895199 FE Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000038986614 FE Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000039008934 FE Annotated Anodyne C/C=C/c1occ(C(=O)c2c(OC)cc(O)cc2C(=O)OC)c(=O)c1OC ZINC000039031387 FE Annotated Anodyne CC1(C)CO/C(=C2/C(=O)C3=C(C=C2c2cccc4c2NCC4)OCO3)N1 ZINC000039094389 FE Annotated Mild C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000039094418 FE Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(C)=O)[C@@H]1[C@H]2OC(C)=O ZINC000039138022 FE Annotated Mild C=C[C@H]1C(=C)CC[C@H]2[C@H]1C[C@@H](O)[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C ZINC000039138036 FE Annotated Mild COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@H]3C[C@H]12 ZINC000039204652 FE Annotated Anodyne in-vitro biogenic CCCCCc1cc2c(=O)cc(C(=O)O)[nH]c2c2c(=O)cc(C(=O)O)[nH]c12 ZINC000039221268 FE Annotated Bother Cc1cc2c(c(-c3cnccn3)c1)O[C@@H](CNC(=O)[C@@H]1CCCN(C)C1)C2 ZINC000039353714 FE Annotated Anodyne Cc1cc2c(c(-c3cnccn3)c1)O[C@@H](CNC(=O)[C@H]1CCCN(C)C1)C2 ZINC000039353715 FE Annotated Anodyne Cc1nc(CN2CCN(c3cc(C4CCNCC4)ncn3)CC2)cs1 ZINC000039399275 FE Annotated Anodyne CCC#CC[C@@H](C)[C@H](O)C#C[C@H]1[C@H]2C/C(=C\COCC(=O)O)C[C@@H]2C[C@H]1O ZINC000039624044 FE Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H]2C/C(=C\COCC(=O)O)C[C@@H]2C[C@H]1O ZINC000039624046 FE Annotated Mild CCC#CC[C@@H](C)[C@@H](O)C#C[C@H]1[C@H]2C/C(=C\COCC(=O)O)C[C@@H]2C[C@H]1O ZINC000039624048 FE Annotated Mild CCC#CC[C@H](C)[C@@H](O)C#C[C@H]1[C@H]2C/C(=C\COCC(=O)O)C[C@@H]2C[C@H]1O ZINC000039624050 FE Annotated Mild C[C@H]1N[C@@H](C)N(CCN2C(=S)S[C@@H](C)N[C@H]2C)C(=S)S1 ZINC000039959908 FE Annotated Anodyne in-vitro C[C@H]1N[C@H](C)N(CCN2C(=S)S[C@@H](C)N[C@H]2C)C(=S)S1 ZINC000039959909 FE Annotated Anodyne in-vitro C[C@H]1N[C@@H](C)N(CCN2C(=S)S[C@H](C)N[C@H]2C)C(=S)S1 ZINC000039959910 FE Annotated Anodyne in-vitro O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1Cc1ccc(F)cc1 ZINC000004004099 FE Annotated Anodyne aggregator O=C(c1ccccc1O)N1N=C(C(F)(F)F)C[C@]1(O)c1ccncc1 ZINC000004004625 FE Annotated Anodyne Cc1ccc(NS(=O)(=O)c2coc(C(N)=O)c2)c(Br)c1 ZINC000004030519 FE Annotated Anodyne CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(=O)c2ccccc21 ZINC000004035718 FE Annotated Anodyne CCn1c(=O)n(CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c(=O)c2ccccc21 ZINC000004035719 FE Annotated Anodyne CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(=O)c2ccccc21 ZINC000004035720 FE Annotated Anodyne CCn1c(=O)n(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(=O)c2ccccc21 ZINC000004035721 FE Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000004040738 FE Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000004040739 FE Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000004040742 FE Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000004040744 FE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004041275 FE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004041278 FE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCO)cc1 ZINC000004041282 FE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCO)cc1 ZINC000004041287 FE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043424 FE Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043428 FE Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043432 FE Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043434 FE Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045551 FE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045553 FE Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCO ZINC000004049190 FE Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCO ZINC000004049191 FE Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCO ZINC000004049192 FE Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCO ZINC000004049193 FE Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)cc1 ZINC000004049210 FE Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)cc1 ZINC000004049211 FE Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004049212 FE Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004049213 FE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 ZINC000004051806 FE Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 ZINC000004051808 FE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 ZINC000004051809 FE Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 ZINC000004051810 FE Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004053680 FE Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004053683 FE Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004053687 FE Annotated Anodyne CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 ZINC000004061442 FE Annotated Anodyne CCCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000004078603 FE Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 ZINC000004093548 FE Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)C1CC1 ZINC000004093549 FE Annotated Anodyne C/C=C1\[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000004095720 FE Annotated Anodyne in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(CO)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004097025 FE Annotated Mild in-vitro CC[C@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000004097955 FE Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@H](/C=C(\C)CO)[C@H]1[C@@H](C/C(C)=C/CO)OC(=O)/C(C)=C\C ZINC000004098171 FE Annotated Mild in-vitro COc1ccc(N2Cc3cccc(C(=O)N4CCOCC4)c3C2=O)cc1 ZINC000004100893 FE Annotated Anodyne CCOC(=O)c1c(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)n1CC ZINC000004102092 FE Annotated Anodyne C/C=C1\[C@@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000004102219 FE Annotated Anodyne in-vitro CC[C@H]1[C@@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000004102220 FE Annotated Anodyne in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102245 FE Annotated Mild in-vitro CC[C@H]1C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O ZINC000004102405 FE Annotated Mild in-vitro COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 ZINC000004103724 FE Annotated Bother COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000004103725 FE Annotated Bother CCn1ncc(C2=NO[C@H](C(=O)Nc3ccccc3C(=O)OC)C2)c1C ZINC000004104240 FE Annotated Anodyne CCn1ncc(C2=NO[C@@H](C(=O)Nc3ccccc3C(=O)OC)C2)c1C ZINC000004104244 FE Annotated Anodyne CCOc1ccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OCC ZINC000004110444 FE Annotated Anodyne Cc1ccc(N(C(=O)[C@@H]2CCCO2)[C@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000004111020 FE Annotated Anodyne Cc1ccc(N(C(=O)[C@@H]2CCCO2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000004111022 FE Annotated Anodyne Cc1ccc(N(C(=O)[C@H]2CCCO2)[C@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000004111023 FE Annotated Anodyne Cc1ccc(N(C(=O)[C@H]2CCCO2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000004111024 FE Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl ZINC000004119177 FE Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCc1ccccc1Cl ZINC000004119178 FE Annotated Anodyne COc1cccc(-c2nc3n(n2)[C@@H](c2ccccn2)C(C(N)=O)=C(C)N3)c1 ZINC000004139213 FE Annotated Anodyne COc1cccc(-c2nc3n(n2)[C@H](c2ccccn2)C(C(N)=O)=C(C)N3)c1 ZINC000004139215 FE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCO ZINC000004152140 FE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCO ZINC000004152141 FE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCO ZINC000004152145 FE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCO ZINC000004152147 FE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCO ZINC000004152582 FE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCO ZINC000004152583 FE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCO ZINC000004152585 FE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCO ZINC000004152588 FE Annotated Anodyne Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000004163470 FE Annotated Anodyne CCCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 ZINC000004183061 FE Annotated Anodyne C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)C(=O)NCC(C)C ZINC000004187471 FE Annotated Reactive CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCOCCO ZINC000004213620 FE Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCOCCO ZINC000004213621 FE Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCOCCO ZINC000004213623 FE Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCOCCO ZINC000004213625 FE Annotated Anodyne Cc1nc(N2CCN(C(=O)CCC(=O)O)CC2)c2c(C)c(C)sc2n1 ZINC000004218024 FE Annotated Anodyne Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000004223102 FE Annotated Anodyne Cc1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000004223103 FE Annotated Anodyne O=C(c1cnccn1)N1CCC2(CCCN(Cc3nccs3)C2)CC1 ZINC000004237997 FE Annotated Anodyne COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004238252 FE Annotated Anodyne COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004238256 FE Annotated Anodyne CCNc1ncc2nc(CCc3ccccc3)c(=O)n(CCOC)c2n1 ZINC000004238451 FE Annotated Anodyne COc1ccc(Oc2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)cc1 ZINC000004238456 FE Annotated Anodyne CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1 ZINC000004238632 FE Annotated Mild CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004238852 FE Annotated Anodyne CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004239003 FE Annotated Anodyne CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1 ZINC000004239119 FE Annotated Mild O=C(CSc1nnc2[nH]c(=O)ccn12)Nc1cccc2ccccc12 ZINC000004249780 FE Annotated Anodyne Cc1cnc(CNc2ncncc2-c2cccc(NS(C)(=O)=O)c2)cn1 ZINC000004257392 FE Annotated Anodyne Cc1cnc(CNc2cc(-c3cccc(NS(C)(=O)=O)c3)ncn2)cn1 ZINC000004257393 FE Annotated Anodyne Cc1cccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 ZINC000004273363 FE Annotated Anodyne Cc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 ZINC000004273364 FE Annotated Anodyne COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccccc3)N2)cc1 ZINC000004279763 FE Annotated Anodyne COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccccc3)N2)cc1 ZINC000004279764 FE Annotated Anodyne COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccccc3)N2)c1 ZINC000004279781 FE Annotated Anodyne COc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@H]3c3ccccc3)N2)c1 ZINC000004279782 FE Annotated Anodyne COc1cc2c(cc1OC)-c1cc(NCc3ccccn3)nc(=O)n1CC2 ZINC000004295975 FE Annotated Anodyne Cc1c(O)c(C(=O)c2nn[nH]n2)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000004368848 FE Annotated Anodyne O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCc1ccco1 ZINC000004374714 FE Annotated Anodyne Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000004375572 FE Annotated Anodyne COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)O)c(C)n3n2)c1 ZINC000004435547 FE Annotated Anodyne C[C@@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004479656 FE Annotated Anodyne C[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004479657 FE Annotated Anodyne C[C@@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004479658 FE Annotated Anodyne C[C@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004479659 FE Annotated Anodyne O=C(N/N=C\c1ccc(N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000004482610 FE Annotated Reactive O=C(OCC(F)(F)C(F)F)[C@H]1CC=CC[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000004492179 FE Annotated Anodyne CC(C)=CC[C@H](OC(=O)[C@@H]1O[C@@H]1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040379356 FE Annotated Mild CC(C)=CC[C@H](OC(=O)[C@@H]1O[C@H]1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040379357 FE Annotated Mild CC(C)=CC[C@H](OC(=O)[C@H]1O[C@@H]1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040379358 FE Annotated Mild CC(C)=CC[C@H](OC(=O)[C@H]1O[C@H]1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040379359 FE Annotated Mild C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@@]2(C)CC(=O)[C@@H](CC(=O)C1)O2 ZINC000040392624 FE Annotated Mild O=C(C[C@@H](CO)C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000040392981 FE Annotated Anodyne in-vitro biogenic O=C(C[C@H](CO)C(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000040392982 FE Annotated Anodyne COC(=O)[C@@]1(c2cc3ccccc3[nH]2)COCC=C2C[N+](C)([O-])CC[C@@H]21 ZINC000040393941 FE Annotated Bother CCOC(=O)c1cnn(C[C@@H](C)O)c1NC(=O)Nc1cccc(F)c1 ZINC000040395573 FE Annotated Anodyne CCOC(=O)c1cnn(C[C@H](C)O)c1NC(=O)Nc1cccc(F)c1 ZINC000040395574 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H](F)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040395731 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H](F)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040395732 FE Annotated Anodyne Nn1c(CS(=O)(=O)Cc2ccccc2)nnc1-c1ccccc1Cl ZINC000040405621 FE Annotated Anodyne CN(C)C(=O)N(CCCN1CCOCC1)Cc1cc(Cl)ccc1O ZINC000040406232 FE Annotated Clean CC(=O)OC[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC4=O)[C@@H](O)C[C@H]21 ZINC000040408895 FE Annotated Anodyne Nn1c(CS(=O)(=O)Cc2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000040409084 FE Annotated Anodyne Cc1oc(-c2ccccc2N)nc1C(=O)N(CC(=O)O)Cc1ccccn1 ZINC000040410867 FE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@](O)(C(=O)/C=C/C)[C@@H](C)CC[C@H]12 ZINC000040420531 FE Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)[C@@H](OC)C[C@@H](O)C[C@H]1C ZINC000040421142 FE Annotated Anodyne C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 ZINC000040421720 FE Annotated Anodyne COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)c(N)c(OC)c1C2=O ZINC000040422992 FE Annotated Mild Nc1ccnc(N2CCC(n3c(=O)n(CC4CC4)c4cccnc43)CC2)c1 ZINC000040423289 FE Annotated Anodyne CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=Nc1ccccc14)[C@@H]1C[C@H]2[C@@H](C=O)[C@@H](C)N13 ZINC000040423331 FE Annotated Mild C=CC[C@@]1(S(=O)(=O)c2ccccc2)C(=O)O[C@H](CCC)[C@H]1CCO ZINC000040428837 FE Annotated Mild Nc1ccnc(N2CCC(NC(=O)[C@@H]3CCCO3)(c3ccccc3)CC2)c1 ZINC000040430236 FE Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)cc21 ZINC000040430421 FE Annotated Anodyne CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)cc1 ZINC000040430686 FE Annotated Anodyne S=C(NCc1ccco1)N1CCO[C@H](COc2cncc(Cl)c2)C1 ZINC000040430955 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CC/C(=C(\C)C#N)C3)c(F)c2)C(=O)O1 ZINC000040447390 FE Annotated Reactive COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC[S@](C)=O)N1CCCC1 ZINC000040465115 FE Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CC[S@](C)=O)N1CCCC1 ZINC000040465116 FE Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC[S@@](C)=O)N1CCCC1 ZINC000040465117 FE Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CC[S@@](C)=O)N1CCCC1 ZINC000040465118 FE Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@@H](CCSC)N1CCOCC1 ZINC000040465127 FE Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CCSC)N1CCOCC1 ZINC000040465128 FE Annotated Anodyne COC(=O)C[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCC1 ZINC000040465329 FE Annotated Anodyne COC(=O)C[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCC1 ZINC000040465331 FE Annotated Anodyne COC(=O)C[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCCCC1 ZINC000040465417 FE Annotated Anodyne COC(=O)C[C@@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCCCC1 ZINC000040465419 FE Annotated Anodyne COc1cc(N/N=C2/CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 ZINC000040465632 FE Annotated Mild COc1cc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc(OC)c1 ZINC000040465635 FE Annotated Mild CC(=O)Nc1ccc(CNCCCNC(=O)C2=CC(C)(C)NC2(C)C)cc1 ZINC000040466172 FE Annotated Anodyne CC(=O)c1ccccc1N/N=C1\CC[C@@H](C)n2c1ncc(C(=O)O)c2=O ZINC000040466336 FE Annotated Mild CC(=O)c1ccccc1N/N=C1\CC[C@H](C)n2c1ncc(C(=O)O)c2=O ZINC000040466339 FE Annotated Mild CC(=O)c1cccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000040466705 FE Annotated Mild CC(=O)c1cccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000040466707 FE Annotated Mild CCC/N=C(\NC#N)NCCSCn1nc(-c2ccccc2)ccc1=O ZINC000040466868 FE Annotated Mild CCOC(=O)C(=O)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000040466878 FE Annotated Anodyne CCOC(=O)C(=O)Nc1nc(-c2cc(OC)c(O)c(OC)c2)cs1 ZINC000040504428 FE Annotated Anodyne CCCCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N ZINC000040505587 FE Annotated Mild CCCCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N ZINC000040505591 FE Annotated Mild CNC(=O)O[C@H]1CCn2c3c(c(CCl)c21)C(=O)C(OC)=C(C)C3=O ZINC000040505852 FE Annotated Reactive CNC(=O)O[C@@H]1CCn2c3c(c(CCl)c21)C(=O)C(OC)=C(C)C3=O ZINC000040505854 FE Annotated Reactive CCN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O ZINC000040511791 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)SC[C@@H]2CCCN32)C(=O)O1 ZINC000040566978 FE Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCN3CCC[C@@H]3CO)cccc21 ZINC000040567896 FE Annotated Clean O=C1c2ccccc2C(=O)c2c(NCCN3CCC[C@H]3CO)cccc21 ZINC000040567898 FE Annotated Clean COC(=O)[C@@H](OC(C)=O)c1ccc(OC)c(I)c1 ZINC000040584464 FE Annotated Anodyne COC(=O)[C@H](OC(C)=O)c1ccc(OC)c(I)c1 ZINC000040584466 FE Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@@H](CCSC)N1CCOCC1 ZINC000040620376 FE Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@H](CCSC)N1CCOCC1 ZINC000040620380 FE Annotated Anodyne Cc1nc2ccccc2c(=O)n1CCCNC(=O)[C@@H]1CC(C)(C)NC1(C)C ZINC000040631675 FE Annotated Anodyne Cc1nc2ccccc2c(=O)n1CCCNC(=O)[C@H]1CC(C)(C)NC1(C)C ZINC000040631677 FE Annotated Anodyne O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 ZINC000040632254 FE Annotated Anodyne Cc1nsc(-c2ccc(N3CCN(c4cccc(N)c4)CC3)nn2)n1 ZINC000040639443 FE Annotated Anodyne C[C@@H]1CC/C(=N/Nc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 ZINC000040640690 FE Annotated Mild C[C@H]1CC/C(=N\Nc2cc(Cl)ccc2O)c2ncc(C(=O)O)c(=O)n21 ZINC000040640695 FE Annotated Mild C[C@@H]1CC/C(=N\Nc2cccc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040641304 FE Annotated Mild C[C@H]1CC/C(=N\Nc2cccc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040641307 FE Annotated Mild O=C1C[C@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)Cc1ccccc1 ZINC000040651217 FE Annotated Mild Cc1ccc(S(=O)(=O)ON2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1 ZINC000040723709 FE Annotated Mild CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2F)CCCCC3=O)C(=O)O1 ZINC000040754005 FE Annotated Anodyne COC[C@H](C)Nc1nccc(N(N)C(=O)Nc2ccccc2Cl)n1 ZINC000040762488 FE Annotated Reactive Oc1cc(O)c(-c2n[nH]cc2N2CCC(O)CC2)cc1Br ZINC000040763150 FE Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCNC(=O)CN1C[C@H](c2ccccc2)CC1=O ZINC000040810716 FE Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CN1C[C@H](c2ccccc2)CC1=O ZINC000040810718 FE Annotated Anodyne COc1ccccc1NC(=O)Cn1ccc(-c2ccc(C(=O)NO)s2)n1 ZINC000040810740 FE Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccccc2[N+](=O)[O-])c2ncc(C(=O)O)c(=O)n21 ZINC000040828597 FE Annotated Mild C[C@H]1CC/C(=N\Nc2ccccc2[N+](=O)[O-])c2ncc(C(=O)O)c(=O)n21 ZINC000040828599 FE Annotated Mild CCOCCCOC(=O)c1cc(CO)cc(C(=O)OCCCOCC)c1 ZINC000040834479 FE Annotated Anodyne CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O ZINC000040835073 FE Annotated Reactive CCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(=O)CCOC ZINC000040836324 FE Annotated Reactive C/C=C(\C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@@H](O)CC(=O)[C@]21C ZINC000040845599 FE Annotated Anodyne Cc1ccccc1-n1c(=O)c2ccccc2n2c(N3CCN(C)CC3)nnc12 ZINC000040847067 FE Annotated Anodyne CCN1C[C@@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O ZINC000040847326 FE Annotated Anodyne NC(=O)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000040847680 FE Annotated Anodyne NC(=O)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000040847682 FE Annotated Anodyne CC(C)(O)c1cn([C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000040847975 FE Annotated Mild CC(C)(O)c1cn([C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000040847976 FE Annotated Mild Cc1ccccc1-n1c(=O)c2ccccc2n2c(N3CCOCC3)nnc12 ZINC000040848119 FE Annotated Anodyne CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O ZINC000040848657 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040860225 FE Annotated Bother C=C(C)[C@H]1CC=C(CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O)CC1 ZINC000040861309 FE Annotated Mild C=C(C)[C@@H]1CC=C(CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O)CC1 ZINC000040861311 FE Annotated Mild C[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H](Cn4c(=O)[nH]c5c(=O)[nH]cnc54)[C@@]13CC2(C)C ZINC000040861428 FE Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CC[C@H](c4ccccn4)C3)cc21 ZINC000040861913 FE Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CC[C@@H](c4ccccn4)C3)cc21 ZINC000040861915 FE Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000040861956 FE Annotated Mild O=S(=O)(c1cccc(F)c1)c1cccc2oc(N3CCNCC3)nc12 ZINC000040864774 FE Annotated Anodyne CCOC(=O)c1nn(-c2ccc(OC(C)=O)cc2)c(=O)c2c(N)scc12 ZINC000040867069 FE Annotated Anodyne O=S(=O)(c1ccc(F)cc1)c1cccc2oc(N3CCNCC3)nc12 ZINC000040873300 FE Annotated Anodyne CC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(C)=O)cc(O)cc1C2=O ZINC000040873420 FE Annotated Clean Nc1ccc(CCn2cnc3c(NC[C@@H]4CCCNC4)ncnc32)cc1 ZINC000040873582 FE Annotated Clean Nc1ccc(CCn2cnc3c(NC[C@H]4CCCNC4)ncnc32)cc1 ZINC000040873584 FE Annotated Clean CCOC(=O)c1cnn(C[C@@H](C)O)c1NC(=O)Nc1ccc(F)cc1 ZINC000040876008 FE Annotated Anodyne CCOC(=O)c1cnn(C[C@H](C)O)c1NC(=O)Nc1ccc(F)cc1 ZINC000040876011 FE Annotated Anodyne C=C(C)[C@@H]1CC(=O)C[C@@H]2O[C@](C)(CC2=O)C[C@@H]2C=C(C(=O)O2)[C@@H](OC)C1 ZINC000040876438 FE Annotated Mild COC(=O)c1c2c(n(-c3ccc(C)cc3)c1N)C(=O)c1ncccc1C2=O ZINC000040879599 FE Annotated Clean O=C1NC(=O)C(=Cc2cn(C(=O)c3ccccc3)c3ccccc23)C(=O)N1 ZINC000040880268 FE Annotated Clean Cc1c(C(=O)N/N=C/c2ccncc2)nnn1Nc1ccc(Cl)cc1 ZINC000040880279 FE Annotated Reactive COC[C@H](O)[C@@H](OC)[C@@H](OC)c1cnc2cc(-c3ccc(C)cc3)nn2c1 ZINC000040880421 FE Annotated Anodyne O=[N+]([O-])c1nc2n(n1)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000040892093 FE Annotated Bother O=[N+]([O-])c1nc2n(n1)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000040892095 FE Annotated Bother [O-][n+]1onc2ccc(/C=N/N=C/c3ccc(O)c(Br)c3)cc21 ZINC000040893321 FE Annotated Mild CCN(CCNC(=N)NCc1cccc(C(N)=O)c1)c1cccc(C)c1 ZINC000040893741 FE Annotated Anodyne COC(=O)c1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)ccc3[n+]2[O-])cc1 ZINC000040897761 FE Annotated Mild O=C1OCC2=C1[C@H](c1cccc(OCCO)c1)c1cc3c(cc1N2)OCO3 ZINC000040897813 FE Annotated Anodyne O=C1OCC2=C1[C@@H](c1cccc(OCCO)c1)c1cc3c(cc1N2)OCO3 ZINC000040897815 FE Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)Cn3ccc(N)nc3=O)C[C@@H]1O2 ZINC000040898315 FE Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3ccc(N)nc3=O)C[C@@H]1O2 ZINC000040898318 FE Annotated Anodyne COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)c1ccc(C)cc1 ZINC000040899179 FE Annotated Anodyne COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)c1ccc(F)cc1 ZINC000040900054 FE Annotated Anodyne COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000040914624 FE Annotated Clean O=[N+]([O-])c1cnc(Sc2nc3cc(S(=O)(=O)O)ccc3[nH]2)s1 ZINC000040914847 FE Annotated Clean Nc1ccc([C@@H]2O[C@@H]3CC(=O)O[C@@H]3C3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000040915602 FE Annotated Mild CC(=O)c1cc(OCC(F)(F)F)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040916758 FE Annotated Anodyne CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2ccccc2n2cnnc12 ZINC000040916872 FE Annotated Anodyne O=C(Cn1cnc(N2CCOCC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000040918291 FE Annotated Bother Cn1nc(-c2ccccc2)cc1C(=O)N(CC(=O)O)Cc1ccccn1 ZINC000040933535 FE Annotated Anodyne COCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCCC3)O2)nn1 ZINC000040934125 FE Annotated Mild C=C[C@@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)O ZINC000040934313 FE Annotated Mild C=C[C@@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)O ZINC000040934886 FE Annotated Mild CO[C@H]1O[C@H](OC)[C@@]2(C)CC(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O ZINC000040936704 FE Annotated Anodyne Oc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)cc(O)c2o1 ZINC000040938542 FE Annotated Anodyne C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@@H]1[C@@]4(CO)C(=O)OC ZINC000040943480 FE Annotated Bother O=C(O)CNC(=O)c1nccc2c1nc(C(F)(F)F)n2-c1ccccc1 ZINC000040949365 FE Annotated Anodyne CN(C[C@@H]1COc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCNCC2 ZINC000040950234 FE Annotated Anodyne CN(C[C@H]1COc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCNCC2 ZINC000040950236 FE Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040950547 FE Annotated Bother C[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040950549 FE Annotated Bother C/C(=C/[S@](C)=O)n1c(C(=O)c2ccc(Br)cc2)noc1=O ZINC000040951371 FE Annotated Anodyne C/C(=C/[S@@](C)=O)n1c(C(=O)c2ccc(Br)cc2)noc1=O ZINC000040951374 FE Annotated Anodyne COc1c(S(=O)(=O)N(C)Cc2ccccc2)ccc2c1CCNCC2 ZINC000040951685 FE Annotated Anodyne CCOCCOC(=O)c1c(SC)nn(-c2ccc([N+](=O)[O-])cc2)c1N ZINC000040955400 FE Annotated Bother C[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@@H]1O)O2 ZINC000040972668 FE Annotated Anodyne O=c1cc(O)c2ccc3c(c2o1)[C@@H](O)[C@@H](O)C1(O3)C2CC3CC(C2)CC1C3 ZINC000040973226 FE Annotated Anodyne COc1cc(O)c2c(=O)oc3cc(OS(=O)(=O)O)cc(C)c3c2c1 ZINC000040975050 FE Annotated Bother O=S(=O)(Cc1n[nH]c(=S)o1)C1=NNC[C@@H]1c1ccc(Cl)cc1 ZINC000040977441 FE Annotated Anodyne O=S(=O)(Cc1nnc(S)s1)C1=NNC[C@@H]1c1ccc(Cl)cc1 ZINC000040979575 FE Annotated Anodyne O=C1OC[C@@H]([C@H](O)c2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000040980946 FE Annotated Anodyne O=C1OC[C@H]([C@H](O)c2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000040980948 FE Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@]1(CO1)[C@H]2CCC1=CCOC1=O ZINC000040981098 FE Annotated Anodyne in-vitro biogenic O=C(NS(=O)(=O)c1ccc(F)cc1)c1cncc(Br)c1 ZINC000042250916 FE Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C1(C)C ZINC000042876130 FE Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(CNC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000042877972 FE Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(CNC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000042877976 FE Annotated Anodyne O=C(O)CCSC1=C(SCCC(=O)O)C(=O)c2ncccc2C1=O ZINC000042920274 FE Annotated Mild Cc1c(CN2CCc3n[nH]c(-c4ccc5c(c4)OCO5)c3C2)cnn1C ZINC000043004950 FE Annotated Anodyne CCOC(=O)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 ZINC000043015173 FE Annotated Anodyne Nc1cc(OS(=O)(=O)c2ccccc2)nc(SCC(F)(F)F)n1 ZINC000043022466 FE Annotated Anodyne Nc1ccccc1-c1nnc(C(=O)NCc2cccc3nsnc23)o1 ZINC000043022853 FE Annotated Anodyne Nc1ccccc1-c1nnc(C(=O)NCc2ccc(Cn3cccn3)cc2)o1 ZINC000043023656 FE Annotated Anodyne N#CCCCn1c(CN2C(=O)/C(=N/O)c3cccnc32)nc2ccccc21 ZINC000043059892 FE Annotated Mild CCCc1c(C(=O)NC[C@H](N)C(=O)O)[nH]c2cccc(Br)c12 ZINC000043061576 FE Annotated Anodyne CCCc1c(C(=O)NC[C@@H](N)C(=O)O)[nH]c2cccc(Br)c12 ZINC000043061579 FE Annotated Anodyne Nc1cnc2ccn(S(=O)(=O)c3c(Cl)nc4sccn34)c2c1 ZINC000043063414 FE Annotated Anodyne CCOC(=O)c1cnn2c1n[n+]([O-])c1ccc(OCc3ccccc3)cc12 ZINC000043069256 FE Annotated Anodyne O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(O)cc21 ZINC000043070161 FE Annotated Anodyne CN(C)c1ccccc1-c1cccc2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc12 ZINC000043070431 FE Annotated Anodyne CN(C)c1ccccc1-c1cccc2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc12 ZINC000043070435 FE Annotated Anodyne O=C(O)c1cccc(-n2nnnc2SCC(=O)c2ccccc2F)c1 ZINC000043071744 FE Annotated Anodyne CCOc1ccc2c(c1)n1ncc(C(=O)Oc3cccs3)c1n[n+]2[O-] ZINC000043072343 FE Annotated Anodyne COc1ccccc1COC(=O)c1cnn2c1n[n+]([O-])c1ccc(C)cc12 ZINC000043074534 FE Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)CCCCCO[N+](=O)[O-] ZINC000043075390 FE Annotated Anodyne CCOC(=O)CCc1c(C)oc2cc(OC)c(OS(=O)(=O)O)cc12 ZINC000043076115 FE Annotated Anodyne CCn1c(=O)n([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2c(F)cccc21 ZINC000043077530 FE Annotated Anodyne COCCS(=O)(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 ZINC000043078768 FE Annotated Anodyne CC1(C)CC(CCC(=O)ONP(=O)(N2CC2)N2CC2)CC(C)(C)N1O ZINC000043120965 FE Annotated Reactive CC1(C)C=Cc2c(ccc([C@]3(O)COc4cc(O)cc(O)c4C3=O)c2O)O1 ZINC000043122239 FE Annotated Anodyne N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(CO)n3)cc2)cc1 ZINC000043151352 FE Annotated Mild O=C(O)c1ccc(-n2[nH]cc(-c3cncc(Br)c3)c2=O)nc1 ZINC000043195431 FE Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000043197821 FE Annotated Reactive OC1(c2cccnc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000043206620 FE Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2ccc(N)nc2)c1F ZINC000043207336 FE Annotated Anodyne CC1=C(C(=O)O)C(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@@]2(O)C1 ZINC000043207880 FE Annotated Mild O=C(O)CCC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043544064 FE Annotated Reactive CCS(=O)(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043552730 FE Annotated Reactive CCCCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000043553144 FE Annotated Anodyne CCCCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000043553146 FE Annotated Anodyne O=C(CCCC1CCCCC1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21 ZINC000043627906 FE Annotated Reactive CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@@]43OO2 ZINC000043628026 FE Annotated Reactive CCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000043727000 FE Annotated Anodyne CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 ZINC000043834930 FE Annotated Reactive CCOC(=O)CC[C@@]12CC[C@@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43OO2 ZINC000043871898 FE Annotated Reactive CCCCCCCCC1=CC2=CN(COC(CO)CO)C(=O)N[C@@H]2O1 ZINC000044093669 FE Annotated Mild CCCCCCCCC1=CC2=CN(COC(CO)CO)C(=O)N[C@H]2O1 ZINC000044093671 FE Annotated Mild NC(=O)CCNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000044265419 FE Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1)C2 ZINC000044352666 FE Annotated Bother CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC[C@@](C)(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@@H]2[C@@H]13 ZINC000044387337 FE Annotated Anodyne CC1CCN(C(=O)CSc2nc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000004504235 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004546284 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000004546320 FE Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1ccccc1O)N(C)C2=O ZINC000004563666 FE Annotated Clean COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@H](c1ccccc1O)N(C)C2=O ZINC000004563667 FE Annotated Clean COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1ccccc1O)N(C)C2=O ZINC000004563669 FE Annotated Clean COc1cc2c(cc1OC)[C@H](C(=O)O)[C@H](c1ccccc1O)N(C)C2=O ZINC000004563670 FE Annotated Clean CCOc1ccc(N(CC)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 ZINC000004564586 FE Annotated Anodyne CCOc1ccc(N(CC)C(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004564587 FE Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)Nc1ccc(F)c(F)c1 ZINC000004564672 FE Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)Nc1ccc(F)c(F)c1 ZINC000004564674 FE Annotated Anodyne O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1F ZINC000004569525 FE Annotated Anodyne O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1F ZINC000004569527 FE Annotated Anodyne Cc1c(N2CCC[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000004634270 FE Annotated Anodyne CCc1ccc(C2=NN(CCC(=O)NC[C@@H]3CCCO3)C(=O)CC2)cc1 ZINC000004668352 FE Annotated Anodyne CCc1ccc(C2=NN(CCC(=O)NC[C@H]3CCCO3)C(=O)CC2)cc1 ZINC000004668353 FE Annotated Anodyne O=C(NC1CCCC1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000004675189 FE Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1 ZINC000004687607 FE Annotated Anodyne C=CCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 ZINC000004758280 FE Annotated Mild O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)N1CCCCC1 ZINC000004790552 FE Annotated Anodyne O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N1CC=C(c2ccccc2)CC1 ZINC000004790629 FE Annotated Anodyne Cc1ccc(CCNC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000004792848 FE Annotated Anodyne COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000004805016 FE Annotated Anodyne in-vitro biogenic COc1ccccc1-n1ccnc(SCC(=O)NC2CCCC2)c1=O ZINC000004853146 FE Annotated Anodyne C=CC[C@@H](Nc1ccccc1)[C@]12C=C[C@H](O1)C(C(=O)OC)=C2C(=O)OC ZINC000004859435 FE Annotated Mild Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)c1 ZINC000004863390 FE Annotated Clean CC(C)C[C@@H](c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1 ZINC000004875351 FE Annotated Anodyne CC(C)C[C@H](c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1 ZINC000004875354 FE Annotated Anodyne O=c1[nH]c2ccc(S(=O)(=O)NCCOc3ccccc3F)cc2s1 ZINC000004875748 FE Annotated Anodyne O=c1[nH]nc(Br)c(=O)n1C(c1ccccc1)c1ccccc1 ZINC000004877632 FE Annotated Anodyne COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4CN5CC[C@]26[C@@H]5C[C@@H]4[C@@H]3[C@H]16 ZINC000004887026 FE Annotated Anodyne in-vitro biogenic COc1cccc(N(CC(=O)NC(C)(C)C)C(=O)[C@H]2CSC(=O)C2)c1 ZINC000004898558 FE Annotated Anodyne COc1cccc(N(CC(=O)NC(C)(C)C)C(=O)[C@@H]2CSC(=O)C2)c1 ZINC000004898559 FE Annotated Anodyne O=S(=O)(c1cnc[nH]1)N1CCC(/C(O)=N/Cc2cccs2)CC1 ZINC000004929938 FE Annotated Mild CCN(CC)CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C ZINC000004930633 FE Annotated Anodyne Cc1cc(C(=O)NN2CCOCC2)nc2c1c(C)nn2-c1ccccc1 ZINC000004936273 FE Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21 ZINC000004961718 FE Annotated Anodyne CCN1CCC[C@H]1CNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21 ZINC000004961719 FE Annotated Anodyne CC[C@@H](C)N(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1 ZINC000004965205 FE Annotated Anodyne CC[C@H](C)N(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1 ZINC000004965206 FE Annotated Anodyne COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCC3)cc21 ZINC000004965753 FE Annotated Anodyne COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2cccs2)n1 ZINC000004968131 FE Annotated Anodyne CCN(CC)CCNC(=O)/C(=C\c1cccn1C)NC(=O)c1cccs1 ZINC000004983479 FE Annotated Anodyne COc1cc2ccccc2c(CON2C(=N)N=C(N)NC2(C)C)c1OC ZINC000045193128 FE Annotated Anodyne Cn1c2ccccc2c2c3ccccc3c(CNC(CO)(CO)CO)cc21 ZINC000045227065 FE Annotated Bother Cc1cc(=O)n(CCCOc2cccc(Cl)c2)c(N2CCNCC2)n1 ZINC000045245071 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccn(-c3ccc(F)cc3)n1)C2 ZINC000045245359 FE Annotated Bother Cc1cc(=O)n(CCCOc2ccccc2Cl)c(N2CCNCC2)n1 ZINC000045253005 FE Annotated Anodyne COc1cc(N/C(=N/C#N)NCCCn2cncc2C)cc(OC)c1OC ZINC000045253588 FE Annotated Mild N#Cc1ccc(-c2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)on2)cc1 ZINC000045254904 FE Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000045254942 FE Annotated Bother CCn1c(COc2cc(F)ccc2Cl)nc(N2CCNCC2)cc1=O ZINC000045254975 FE Annotated Anodyne O=c1ccc(N2CCNCC2)nn1CCOc1cccc(Cl)c1Cl ZINC000045255139 FE Annotated Anodyne Cn1nc(-c2ccc(F)cc2)cc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000045257004 FE Annotated Bother CCOC(=O)c1c(NC(=O)C[C@H]2S/C(=N/C)NC2=O)sc(C)c1C ZINC000045257781 FE Annotated Mild CCOC(=O)c1c(NC(=O)C[C@@H]2S/C(=N/C)NC2=O)sc(C)c1C ZINC000045257786 FE Annotated Mild COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2nonc2C)cc1 ZINC000045258366 FE Annotated Anodyne COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2nonc2C)cc1 ZINC000045258371 FE Annotated Anodyne O=C(NCCNC(=O)c1ccccc1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045262063 FE Annotated Anodyne COC(=O)/C(=C/c1ccc(OC)cc1)Cn1nnnc1-c1ccncc1 ZINC000045284493 FE Annotated Anodyne C/C(=N\NC(=N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 ZINC000045284813 FE Annotated Mild O=C(O)/C=C\c1nc2c(C(=O)Nc3ccccc3)n3c(c2c(=O)[nH]1)CCC3 ZINC000045285610 FE Annotated Anodyne Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc([N+](=O)[O-])cc1 ZINC000045290867 FE Annotated Bother Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc([N+](=O)[O-])cc1 ZINC000045290869 FE Annotated Bother CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cncnc3)cc2n1 ZINC000045291073 FE Annotated Anodyne COc1cc(OC[C@@H](O)COC(C)=O)cc2c1c(=O)c1ccccc1n2C ZINC000045299192 FE Annotated Bother COc1cc(OC[C@H](O)COC(C)=O)cc2c1c(=O)c1ccccc1n2C ZINC000045299195 FE Annotated Bother Cn1cnc(C[S@@](=O)Cc2ccc(I)cc2)c1 ZINC000045300391 FE Annotated Anodyne Cn1cnc(C[S@](=O)Cc2ccc(I)cc2)c1 ZINC000045300393 FE Annotated Anodyne NC(N)=Nc1nc(-c2cc(NC(=O)C(F)(F)F)cc([N+](=O)[O-])c2)cs1 ZINC000045301181 FE Annotated Mild COC(=O)/C(=C/c1ccc(OC)cc1)Cn1nnnc1-c1cccnc1 ZINC000045301281 FE Annotated Anodyne Nc1nccc(Nc2ccc3[nH]nc(I)c3c2)n1 ZINC000045315378 FE Annotated Anodyne CCOC(=O)Nc1cc(-c2csc(N=C(N)N)n2)cc([N+](=O)[O-])c1 ZINC000045316334 FE Annotated Mild Cn1c(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cnc1-c1ccc(F)cc1 ZINC000045317733 FE Annotated Bother CCOC(=O)C1=C(Nc2ccc(Br)cc2)N=CN2CCN=C12 ZINC000045320259 FE Annotated Anodyne CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2ccnc12 ZINC000045321906 FE Annotated Anodyne Nc1nccc(Nc2cc(I)c3[nH]ncc3c2)n1 ZINC000045335028 FE Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3cccn3)cn2)c2c(F)cccc2c1=O ZINC000045336697 FE Annotated Anodyne CCN(C1=CC(=O)c2c(CCNC(=O)OC)n[nH]c2C1=O)c1ccccc1 ZINC000045336820 FE Annotated Mild CC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1 ZINC000045337501 FE Annotated Mild Cc1nn(C(=O)/C=C/c2cccc(S(N)(=O)=O)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000045337938 FE Annotated Anodyne CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](O)C2)c1 ZINC000045338809 FE Annotated Anodyne N#Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 ZINC000045349850 FE Annotated Mild O=C(/C=C/N1CCC(O)(c2ccc(O)cc2)CC1)c1ccc(O)cc1O ZINC000045353633 FE Annotated Mild CCCCCCOC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)CS1 ZINC000045354139 FE Annotated Anodyne O=C(N/N=C/c1ccc(O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000045355025 FE Annotated Reactive CCn1c(=O)c2c(nc(Cc3ccco3)n2C)n(Cc2cccs2)c1=O ZINC000045355211 FE Annotated Anodyne C=CCc1cccc(OC)c1OCCCON1C(=N)NC(=N)NC1(C)C ZINC000045365301 FE Annotated Mild Cn1c(C(=O)NCCCC(=O)O)cc(Br)c1Br ZINC000045366773 FE Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3cccn3)nc2)c2c(F)cccc2c1=O ZINC000045366862 FE Annotated Anodyne N#CC1=C(NC(=O)CSc2ncc(C#N)c(N)n2)S[C@H]2CCCC[C@@H]12 ZINC000045370251 FE Annotated Reactive N#CC1=C(NC(=O)CSc2ncc(C#N)c(N)n2)S[C@H]2CCCC[C@H]12 ZINC000045370256 FE Annotated Reactive N#CC1=C(NC(=O)CSc2ncc(C#N)c(N)n2)S[C@@H]2CCCC[C@@H]12 ZINC000045370263 FE Annotated Reactive N#CC1=C(NC(=O)CSc2ncc(C#N)c(N)n2)S[C@@H]2CCCC[C@H]12 ZINC000045370268 FE Annotated Reactive COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCCO4)c(N)n2)cc1 ZINC000045373293 FE Annotated Anodyne CCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O ZINC000045387214 FE Annotated Anodyne C=CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O ZINC000045391232 FE Annotated Mild O=C(Nc1ccn[nH]1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000045496727 FE Annotated Anodyne Cc1oc2ccc3c(C)cc(=O)n(CC(=O)NCCN(C)C)c3c2c1C ZINC000045497412 FE Annotated Anodyne CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000046106108 FE Annotated Anodyne CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000046106109 FE Annotated Anodyne O=C(O)Cn1c(=O)c(Oc2cc(O)cc(O)c2)nc2ccc(Cl)cc21 ZINC000473081554 FE Annotated Anodyne N#CCN1C(=O)N(Cc2cccc(Cl)c2)S(=O)(=O)n2cccc21 ZINC000473082115 FE Annotated Mild O=C(CBr)NCC1=Cc2ccccc2O[C@@]1(O)C(F)(F)F ZINC000473084148 FE Annotated Reactive O=C(CBr)NCC1=Cc2ccccc2O[C@]1(O)C(F)(F)F ZINC000473084152 FE Annotated Reactive O=C(O)Cn1c(=O)c(Oc2cc(O)cc(O)c2)nc2cc(Cl)ccc21 ZINC000473084163 FE Annotated Anodyne CC(C)N(C)C(=O)n1cnc(S(=O)(=O)C2C3CC4CC(C3)CC2C4)n1 ZINC000473086415 FE Annotated Anodyne C[C@@H]1O[C@@]1(C)C(=O)C[C@@H]1[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]2(O)CC[C@@]1(C)O ZINC000473088641 FE Annotated Anodyne C[C@H]1O[C@]1(C)C(=O)C[C@@H]1[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]2(O)CC[C@@]1(C)O ZINC000473088655 FE Annotated Anodyne Cc1cccc(CN(CC(=O)O)Cc2ccc(C(=O)O)c(C(=O)O)c2)c1 ZINC000473088983 FE Annotated Anodyne Cc1ccc(CN(CC(=O)O)Cc2ccc(C(=O)O)c(C(=O)O)c2)cc1 ZINC000473090566 FE Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(C(=O)c3ccccn3)CC2)C1=O ZINC000473090820 FE Annotated Anodyne CN(Cc1ccccc1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473090838 FE Annotated Anodyne N#Cc1ccc(CN2C(=O)[C@]3(Cn4nncc4CO3)c3ccccc32)cc1 ZINC000473091446 FE Annotated Mild N#Cc1ccc(CN2C(=O)[C@@]3(Cn4nncc4CO3)c3ccccc32)cc1 ZINC000473091447 FE Annotated Mild Cc1ccccc1CN(CC(=O)O)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473091465 FE Annotated Anodyne CC(C)N(C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1)C(C)C ZINC000473091509 FE Annotated Anodyne O=C1N(Cc2ccccc2)c2ccc(F)cc2[C@@]12Cn1nncc1CO2 ZINC000473091865 FE Annotated Anodyne O=C1N(Cc2ccccc2)c2ccc(F)cc2[C@]12Cn1nncc1CO2 ZINC000473091873 FE Annotated Anodyne OCCc1ccccc1N=c1[nH]c(Cl)nc(=NCc2ccccc2)[nH]1 ZINC000473096133 FE Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cccnc3N)CC2)C1=O ZINC000473109906 FE Annotated Anodyne Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2nc1O ZINC000473110526 FE Annotated Anodyne Cc1cc2ccnc(N[C@H]3CCNC[C@@H]3OCC3CCOCC3)c2nc1O ZINC000473110527 FE Annotated Anodyne CN1C(C(=O)NC2CC2)=C(c2ccccc2)c2ccccc2S1(=O)=O ZINC000473111321 FE Annotated Anodyne O=C1C[C@H](CBr)N1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000473111552 FE Annotated Reactive O=C1C[C@@H](CBr)N1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000473111556 FE Annotated Reactive N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2ccc3c(c2)OCO3)[nH]1 ZINC000473113286 FE Annotated Anodyne NCCNC(=O)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473113526 FE Annotated Anodyne N=c1[nH]oc2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc12 ZINC000473114086 FE Annotated Anodyne Cc1ccc(S(=O)(=O)ON2C(=O)C[C@@H]2CSC2=NCCS2)cc1 ZINC000473114379 FE Annotated Mild Cc1ccc(S(=O)(=O)ON2C(=O)C[C@H]2CSC2=NCCS2)cc1 ZINC000473114380 FE Annotated Mild COc1nc(N2CCSCC2)nc(OC)c1NC(=O)CC(C)(C)C ZINC000473115518 FE Annotated Anodyne COc1nc(N2CCCOCC2)nc(OC)c1NC(=O)CC(C)(C)C ZINC000473115811 FE Annotated Anodyne O=C1C[C@H](CBr)N1OS(=O)(=O)c1cccc2ccccc12 ZINC000473117744 FE Annotated Reactive O=C1C[C@@H](CBr)N1OS(=O)(=O)c1cccc2ccccc12 ZINC000473117746 FE Annotated Reactive Cc1nn(-c2ccnc(Nc3ccccc3)n2)cc1CN1CC[C@@H](O)C1 ZINC000473118798 FE Annotated Anodyne O=C1c2ccc(-n3cc(CO)c(C(F)(F)F)n3)cc2OC[C@@H]2CCCN12 ZINC000473118871 FE Annotated Anodyne Cn1ncc2cc(NCC(=O)Nc3ccc(-c4cnccn4)cn3)ccc21 ZINC000473121611 FE Annotated Anodyne COc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CCC(C)C ZINC000473121938 FE Annotated Anodyne Cn1ncc2cc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)ccc21 ZINC000473123215 FE Annotated Anodyne COc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC(C)C ZINC000473124168 FE Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@H](C[C@@H](O)C2(C)C)C(=O)[C@@]1(C)CCC1=CC(=O)OC1 ZINC000473124790 FE Annotated Anodyne C[C@@H]1CC[C@]2(O)[C@H](C[C@@H](O)C2(C)C)C(=O)[C@@]1(C)CCC1=CC(=O)OC1 ZINC000473124791 FE Annotated Anodyne Cc1cc2c(-c3cncc(N)c3)cnc(NC3CCNCC3)c2nc1O ZINC000473128183 FE Annotated Anodyne CCOC(=O)c1ncc(O)c2c1C(=O)N(CCc1ccc(C)cc1)C2=O ZINC000473132682 FE Annotated Anodyne COc1cc2c(c3occc13)C[C@H]1OC(=O)[C@]3(C)[C@H]1[C@@]21CC[C@@]3(O)OC1 ZINC000473132698 FE Annotated Anodyne CCCCc1nc(Cl)c(C(=O)N[C@@H](CCSC)C(=O)OC)n1C ZINC000473132736 FE Annotated Anodyne CNC(=O)[C@@H]1Cc2cc(F)c(F)cc2N1C(=O)COc1ccc(F)cc1 ZINC000473133991 FE Annotated Anodyne CNC(=O)[C@H]1Cc2cc(F)c(F)cc2N1C(=O)COc1ccc(F)cc1 ZINC000473133992 FE Annotated Anodyne CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(=NC)[nH]c21 ZINC000473134009 FE Annotated Anodyne CC(=O)N1CCC(c2nc(N3CCOCC3)ncc2-c2cc(C)no2)CC1 ZINC000473134123 FE Annotated Anodyne COc1ccc(Nc2c(-c3cccc(B(O)O)c3)nc3ccccn23)cc1 ZINC000473135034 FE Annotated Reactive CNC(=O)[C@@H]1Cc2cc(F)cc(F)c2N1C(=O)COc1ccc(F)cc1 ZINC000473135140 FE Annotated Anodyne CNC(=O)[C@H]1Cc2cc(F)cc(F)c2N1C(=O)COc1ccc(F)cc1 ZINC000473135141 FE Annotated Anodyne CC1(C)C[C@@H](O)C[C@]1(C)c1ccc(C(=O)OC[C@@](C)(O)C(=O)O)cc1 ZINC000473135335 FE Annotated Anodyne CC1(C)C[C@@H](O)C[C@]1(C)c1ccc(C(=O)OC[C@](C)(O)C(=O)O)cc1 ZINC000473135338 FE Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc[nH]2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135368 FE Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc[nH]2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135369 FE Annotated Anodyne NC(=O)Cn1c2c(c3cc(Br)ccc31)CC[C@H](C(=O)O)C2 ZINC000473135408 FE Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000473146867 FE Annotated Mild C=C1C2=C(C(=O)N1OC)[C@H](OC(=O)CCl)[C@@](C)(O)[C@H](CCCCC)O2 ZINC000473149626 FE Annotated Reactive C[C@@H]1CC[C@H]2[C@]3(C[C@@H]4CCCN4O3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000473150314 FE Annotated Reactive COCc1csc(-c2nc(C(C)(C)C)[nH]c3nc(=N)c(C#N)c(N)c2-3)n1 ZINC000473153559 FE Annotated Mild Cn1ccnc1COc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl ZINC000473153670 FE Annotated Anodyne CCCCc1cnc(N)c(-c2nc(=Nc3ccc4nc(O)oc4c3)[nH]o2)n1 ZINC000473154198 FE Annotated Anodyne CCOC(=O)[C@H]1[C@H]([C@@H](O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000473154208 FE Annotated Anodyne CCOC(=O)[C@H]1[C@H]([C@H](O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000473154209 FE Annotated Anodyne CCOC(=O)[C@H]1[C@H]([C@H](O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000473154210 FE Annotated Anodyne CCOC(=O)[C@H]1[C@H]([C@@H](O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000473154211 FE Annotated Anodyne CN1CCN(c2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(=N)[nH]2)CC1 ZINC000473154570 FE Annotated Anodyne COc1nc(-c2ccc3c(c2)OCO3)nc(=NCCc2ccc(F)cc2)[nH]1 ZINC000473162827 FE Annotated Anodyne COc1nc(-c2ccc(N(C)C)nc2)nc(=NCCc2ccc(F)cc2)[nH]1 ZINC000473162842 FE Annotated Anodyne COc1nc(-c2ccc3nonc3c2)nc(=NCCc2ccc(F)cc2)[nH]1 ZINC000473162902 FE Annotated Anodyne CCCc1cc(=Nc2nc(N3CCC(N)CC3)nc3ccsc23)[nH][nH]1 ZINC000473167311 FE Annotated Anodyne C[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000473168001 FE Annotated Reactive CC[C@@]1(O)C[C@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@]45CCN([C@H]25)[C@H]31 ZINC000473170902 FE Annotated Anodyne CC[C@@]1(O)C[C@H]2[C@H]3C(C(=O)OC)=C4Nc5ccccc5[C@@]45CCN([C@H]31)[C@H]25 ZINC000473170904 FE Annotated Anodyne C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@](CO)(C(=O)O)[C@H]1CC2 ZINC000473171736 FE Annotated Bother C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)O)[C@H]1CC2 ZINC000473171746 FE Annotated Bother CN(C)Cc1ccc(C(=O)NCCCN=c2[nH]c3ccccc3[nH]2)cc1 ZINC000473172859 FE Annotated Anodyne CN1C[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1=O ZINC000473245011 FE Annotated Anodyne CCCc1cc(=O)n2[nH]c(=NC(=O)c3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473247156 FE Annotated Mild O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CCCC1 ZINC000473248381 FE Annotated Anodyne C=Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C#Cc3ccccc3)CC2)n1 ZINC000473249373 FE Annotated Mild CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccco1)CC(=O)C[C@H]2c1ccco1 ZINC000473249660 FE Annotated Anodyne CC1=NOC(=O)/C1=C/c1c(C(=O)N2CCOCC2)n(C)c2ccc(F)cc12 ZINC000474609300 FE Annotated Mild O[C@@H]1CO[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000049018104 FE Annotated Anodyne NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CCCO ZINC000049021501 FE Annotated Anodyne O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@@](O)(C(=O)O)C3 ZINC000049021797 FE Annotated Mild O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@](O)(C(=O)O)C3 ZINC000049021800 FE Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@@]2(C)CC(O)(O)C3)cc1 ZINC000049034067 FE Annotated Anodyne O=S1(=O)N(CC[C@H](O)CNC2CC2)c2ccccc2N1c1ccccc1 ZINC000049034388 FE Annotated Anodyne O=S1(=O)N(CC[C@@H](O)CNC2CC2)c2ccccc2N1c1ccccc1 ZINC000049034390 FE Annotated Anodyne CNCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O ZINC000049035647 FE Annotated Anodyne C[C@H]1c2cn[nH]c2C(=O)[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000049035777 FE Annotated Anodyne COC(=O)c1nc(Sc2cccc(C)c2)n(COCCOC(C)=O)n1 ZINC000049036813 FE Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC[C@@](CO)(CN1CCCCC1)C3=O ZINC000049037563 FE Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC[C@](CO)(CN1CCCCC1)C3=O ZINC000049037565 FE Annotated Anodyne COC(=O)c1nc(Sc2ccc(C)cc2)n(COCCOC(C)=O)n1 ZINC000049037636 FE Annotated Anodyne O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@@H](C(=O)O)[C@H]3O ZINC000049045391 FE Annotated Mild O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@@H](C(=O)O)[C@@H]3O ZINC000049045395 FE Annotated Mild O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@H](C(=O)O)[C@H]3O ZINC000049045399 FE Annotated Mild O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@H](C(=O)O)[C@@H]3O ZINC000049045403 FE Annotated Mild CC(=O)Nc1cccc2n1cc(-c1cccc(OC(=O)N(C)C)c1)[n+]2C ZINC000049045986 FE Annotated Anodyne C[C@@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCCC1 ZINC000049046122 FE Annotated Anodyne C[C@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCCC1 ZINC000049046125 FE Annotated Anodyne CCC1=CN2CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@H]24 ZINC000049046702 FE Annotated Anodyne N#Cc1nn(C2CCCCCC2)c(=O)n(CCCN2CCCCC2)c1=O ZINC000049047398 FE Annotated Mild C[C@@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)Nc1ccccc1C(=O)O ZINC000049050603 FE Annotated Anodyne C[C@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)Nc1ccccc1C(=O)O ZINC000049050607 FE Annotated Anodyne CC(=O)Nc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C ZINC000049054821 FE Annotated Anodyne Cc1c(C(=O)NCCc2ccccc2)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000049067290 FE Annotated Anodyne COc1ccc(CCNC(=O)c2c(C)n(O)c3ccc(F)cc3[n+]2=O)cc1 ZINC000049067551 FE Annotated Anodyne COc1ccc(CNC(=O)c2c(C)n(O)c3ccc(C)cc3[n+]2=O)cc1 ZINC000049068391 FE Annotated Anodyne COc1ccc(Br)c(/C=N/NC(=O)c2snnc2C)c1O ZINC000049068517 FE Annotated Reactive N/C(=N\O)c1ccc(-c2cnc(-c3ccc(/C(N)=N\O)cn3)s2)cc1 ZINC000049069410 FE Annotated Mild COc1ccc(CCNC(=O)c2c(C)n(O)c3ccc(C)cc3[n+]2=O)cc1 ZINC000049069985 FE Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2c(c1=O)[C@@H](O)CCC2 ZINC000049071257 FE Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2c(c1=O)[C@H](O)CCC2 ZINC000049071259 FE Annotated Anodyne COc1nc(C[C@H](O)COCc2ccccc2)c(CCCl)c(OC)n1 ZINC000049072325 FE Annotated Reactive COc1nc(C[C@@H](O)COCc2ccccc2)c(CCCl)c(OC)n1 ZINC000049072327 FE Annotated Reactive CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@@]12CN(N=O)CCC2=O ZINC000049072742 FE Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@@]12CN(N=O)CCC2=O ZINC000049072744 FE Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@]12CN(N=O)CCC2=O ZINC000049072746 FE Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@]12CN(N=O)CCC2=O ZINC000049072748 FE Annotated Anodyne C[C@H]1C(=O)c2[nH]ncc2[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000049089187 FE Annotated Anodyne CNCC(=O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049089230 FE Annotated Anodyne O=C(c1ccccc1NCc1coc2ccccc2c1=O)N1CCNCC1 ZINC000049089265 FE Annotated Anodyne CCNCc1cc(S(N)(=O)=O)cnc1Sc1ccc(F)c(F)c1 ZINC000049089545 FE Annotated Anodyne N/C(=N\O)c1ccc(-c2cnc(-c3ccc(/C(N)=N/O)nc3)s2)cc1 ZINC000049109350 FE Annotated Mild CN1[C@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049109368 FE Annotated Anodyne CN1[C@@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049109370 FE Annotated Anodyne COC(=O)c1nc(Sc2ccccc2C)n(COCCOC(C)=O)n1 ZINC000049109720 FE Annotated Anodyne CN(C)C[C@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O ZINC000049111883 FE Annotated Anodyne CN(C)C[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O ZINC000049111885 FE Annotated Anodyne CC[C@@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(N)=O)c5=O)[C@H]1C[C@H]24 ZINC000049111959 FE Annotated Anodyne O=c1[nH]c2ccc(OC3CCN(CCO)CC3)cc2c2c1CSCC2 ZINC000049112343 FE Annotated Anodyne CNC(=O)Nc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C ZINC000049112409 FE Annotated Anodyne COc1ccc(CNC(=O)c2c(C)n(O)c3ccc(F)cc3[n+]2=O)cc1 ZINC000049112552 FE Annotated Anodyne C[C@H]1O[C@@H](n2cnc3ncnc(NC(=O)c4ccccc4)c32)C=C(F)C1=O ZINC000049112558 FE Annotated Mild COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(N(C)C)cc2)cc1OC ZINC000049113437 FE Annotated Mild C=C(C)[C@H]1C/C=C2/C(=O)O[C@H](C/C(C)=C/C(=O)[C@H](OC)CC(=O)C1)[C@H]2O ZINC000049114218 FE Annotated Mild C[C@H]1CC[C@@H](OC[C@H](O)CO)C(C)(C)[C@@]12Cc1cc(C(=O)O)ccc1O2 ZINC000049116225 FE Annotated Anodyne C[C@H]1CC[C@@H](OC[C@@H](O)CO)C(C)(C)[C@@]12Cc1cc(C(=O)O)ccc1O2 ZINC000049116228 FE Annotated Anodyne O=[N+]([O-])c1cc(-c2nc(-c3ccc[n+]([O-])c3Cl)no2)cc(O)c1O ZINC000049125102 FE Annotated Clean CCOC(=O)c1nn(CC)c(=O)c2nn(Cc3ccc(C#N)cc3)c(C)c12 ZINC000049126281 FE Annotated Mild Cc1ncn2c1Cn1ncnc1-c1cc(I)ccc1-2 ZINC000049563424 FE Annotated Anodyne NC(N)=NC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049678857 FE Annotated Reactive CN(CCN1CCN(C2COOC2)C1=O)CC12CCC(CC1)C2(C)C ZINC000049678923 FE Annotated Reactive NCCNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049679069 FE Annotated Reactive NC1=NC(=O)N=C(N)C1[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000049679136 FE Annotated Anodyne NC1=NC(=O)N=C(N)C1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000049679138 FE Annotated Anodyne CCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC ZINC000049734091 FE Annotated Anodyne NCC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049746379 FE Annotated Reactive NCCC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049746969 FE Annotated Reactive CC(=O)Oc1ccc(C2=C(c3ccc([S@](C)=O)cc3)C(=O)OC2=O)cc1 ZINC000049756805 FE Annotated Reactive CC(=O)Oc1ccc(C2=C(c3ccc([S@@](C)=O)cc3)C(=O)OC2=O)cc1 ZINC000049756807 FE Annotated Reactive O=C(O)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049762622 FE Annotated Reactive Nc1ccc2sc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000049783793 FE Annotated Bother N/C(=N\O)c1ccc(-c2ncc(-c3ccc(/C(N)=N\O)nc3)s2)cc1 ZINC000049783965 FE Annotated Mild CC(=O)O[C@@H](O/C(C)=N/NC(=O)c1ccco1)c1ccc([N+](=O)[O-])o1 ZINC000049784291 FE Annotated Reactive CC(=O)O[C@H](O/C(C)=N/NC(=O)c1ccco1)c1ccc([N+](=O)[O-])o1 ZINC000049784292 FE Annotated Reactive NC(=O)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1 ZINC000049784348 FE Annotated Anodyne CC(=O)N(C)c1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C ZINC000049785225 FE Annotated Anodyne N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(C2CCCC2)c1=O ZINC000049785735 FE Annotated Mild C[C@H](O)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21 ZINC000049785865 FE Annotated Anodyne Cc1nc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)sc1C ZINC000049802130 FE Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000049803182 FE Annotated Bother Cc1c(N2C[C@@H](C)N[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049804028 FE Annotated Anodyne Cc1c(N2C[C@H](C)N[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049804029 FE Annotated Anodyne [O-][n+]1onc2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc21 ZINC000049807440 FE Annotated Anodyne CN(C)c1ccc(/C=C2\NC(=O)N(S(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000049808622 FE Annotated Clean COC(=O)C[C@@H]1OO[C@@](CCC[C@H](O)/C=C(\C)[C@H](C)O)(OC)C[C@@H]1C ZINC000049820540 FE Annotated Reactive CCS(=O)(=O)N1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 ZINC000049881760 FE Annotated Reactive O=C1C=CC2(C=C1)CC[C@]1(CC(O)C[C@]3(CCC4(C=CC(=O)C=C4)O3)O1)O2 ZINC000049881813 FE Annotated Mild Cc1ccc2c(c1)C(O)=C(C(=O)Nc1ncc(C)s1)N(C)S2(=O)=O ZINC000049932974 FE Annotated Anodyne C[C@@H](C(=O)/N=c1/sc2ccccc2n1C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000049985337 FE Annotated Anodyne O=c1[nH]c2c(c3nc(-c4ccccn4)nn13)CN(Cc1ccccc1)CC2 ZINC000000575824 FE Annotated Anodyne CN1Cc2c(-c3noc(C(C)(C)O)n3)ncn2-c2cccc(Cl)c2C1=O ZINC000000576702 FE Annotated Anodyne COC(=O)N1CC=C(c2ccc(C3=NO[C@H](CNC(C)=O)C3)cc2)CC1 ZINC000000580417 FE Annotated Anodyne C[C@H]1[C@H](N)CN1c1cc2c(cc1F)c(=O)c1c(O)nsc1n2C1CC1 ZINC000000597541 FE Annotated Anodyne Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21 ZINC000000602916 FE Annotated Mild Nc1nc2c(nc(Br)n2[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000000602932 FE Annotated Anodyne O=C1C[C@](CO)(Cc2ccccc2)C(O)[C@@](CO)(Cc2ccccc2)C1 ZINC000000606093 FE Annotated Anodyne CCNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000000606679 FE Annotated Anodyne CC(=O)N1C[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H](C1)N2C ZINC000000606705 FE Annotated Anodyne CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@H]2O)OCO3 ZINC000000608242 FE Annotated Anodyne O=C(O)C[C@@H]1OCC=C2CN3CC[C@@]45c6ccccc6N[C@@H]4[C@@H]1[C@@H]2C[C@@H]35 ZINC000000640280 FE Annotated Anodyne CCN(CC)c1ccc(Nc2snc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000641770 FE Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(N3CCCC3)c2c1C ZINC000000752910 FE Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758469 FE Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758470 FE Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758471 FE Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758472 FE Annotated Anodyne CCOC(=O)Cc1nc2nc(N3C[C@@H](CC)CC[C@@H]3C)ccc2[nH]c1=O ZINC000000766648 FE Annotated Anodyne CN(CCO)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000000766657 FE Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@@H](O)C3)nc2nc1Cc1ccc(F)cc1 ZINC000000766678 FE Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@H](O)C3)nc2nc1Cc1ccc(F)cc1 ZINC000000766680 FE Annotated Anodyne CC(C)N(CCO)c1ccc2[nH]c(=O)c(Cc3ccc(F)cc3)nc2n1 ZINC000000766733 FE Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@@H](CO)C3)nc2nc1Cc1ccccc1 ZINC000000766874 FE Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@H](CO)C3)nc2nc1Cc1ccccc1 ZINC000000766876 FE Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@@H](CO)C3)nc2nc1Cc1ccc(F)cc1 ZINC000000766878 FE Annotated Anodyne O=c1[nH]c2ccc(N3CCC[C@H](CO)C3)nc2nc1Cc1ccc(F)cc1 ZINC000000766880 FE Annotated Anodyne O=c1[nH]c2ccc(N3CCC(O)CC3)nc2nc1Cc1ccc(F)cc1 ZINC000000766882 FE Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C)Cc3ccccc3)ccc2[nH]c1=O ZINC000000766915 FE Annotated Anodyne CCOC(=O)Cc1nc2nc(N(CC)Cc3ccccc3)ccc2[nH]c1=O ZINC000000766921 FE Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000000767867 FE Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 ZINC000000769441 FE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769692 FE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769694 FE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCc2ccccc2N)cc1 ZINC000000770242 FE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCc2ccccc2N)cc1 ZINC000000770243 FE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000000770250 FE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000000770251 FE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000000770252 FE Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000000770253 FE Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000000773847 FE Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000000773848 FE Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000774458 FE Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000774459 FE Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccoc1 ZINC000000774903 FE Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1ccoc1 ZINC000000774904 FE Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccccc1 ZINC000000775390 FE Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccccc1 ZINC000000775391 FE Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccsc1 ZINC000000775435 FE Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccsc1 ZINC000000775436 FE Annotated Anodyne CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC[C@H](O)CO ZINC000000776256 FE Annotated Anodyne CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC[C@@H](O)CO ZINC000000776257 FE Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000776276 FE Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000776277 FE Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)c1 ZINC000000776326 FE Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)c1 ZINC000000776327 FE Annotated Anodyne O=C(c1ccccc1O)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccncc1 ZINC000000827406 FE Annotated Anodyne COc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)ccc1=O ZINC000000837394 FE Annotated Anodyne CNc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2)ccc1=O ZINC000000837398 FE Annotated Anodyne Cc1c(F)c(N2CCNCC2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000000838102 FE Annotated Anodyne COc1ccc(C(=O)Nc2nnn[nH]2)c(OC(C)C)c1Br ZINC000000838215 FE Annotated Anodyne C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@](CO)(C(=O)OC)[C@H]1CC2 ZINC000000967914 FE Annotated Anodyne COCCN1Cc2cccc(C(=O)NCc3ccc(OC)cc3)c2C1=O ZINC000005005873 FE Annotated Anodyne CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)CSc2ncn[nH]2)cc1 ZINC000005067601 FE Annotated Anodyne CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)CSc2ncn[nH]2)cc1 ZINC000005067607 FE Annotated Anodyne Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCCN1CCCC[C@@H]1C)O2 ZINC000005069914 FE Annotated Anodyne Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCCN1CCCC[C@@H]1C)O2 ZINC000005069915 FE Annotated Anodyne CN(CCNC(=O)c1cc2c(s1)CS(=O)(=O)C2)C1CCCCC1 ZINC000005084203 FE Annotated Anodyne CC1(C)CC(=O)N(CC(=O)NC2CCCC2)c2ccccc2S1(=O)=O ZINC000005084333 FE Annotated Anodyne COC(=O)c1cc2sc(Cl)cc2n1CC(=O)NC[C@@H]1CCCO1 ZINC000005084934 FE Annotated Anodyne COC(=O)c1cc2sc(Cl)cc2n1CC(=O)NC[C@H]1CCCO1 ZINC000005084940 FE Annotated Anodyne Cc1ccc(N2NC(=O)/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1Cl ZINC000005093028 FE Annotated Clean Cc1nc2sc(C(=O)NC[C@@H]3COc4ccccc4O3)c(C)c2c(=O)[nH]1 ZINC000005093536 FE Annotated Anodyne Cc1nc2sc(C(=O)NC[C@H]3COc4ccccc4O3)c(C)c2c(=O)[nH]1 ZINC000005093538 FE Annotated Anodyne CC[C@@H](C(=O)NC[C@@H]1CCCO1)n1nc(C)n2c(cc3sccc32)c1=O ZINC000005108462 FE Annotated Anodyne CC[C@H](C(=O)NC[C@@H]1CCCO1)n1nc(C)n2c(cc3sccc32)c1=O ZINC000005108463 FE Annotated Anodyne CC[C@@H](C(=O)NC[C@H]1CCCO1)n1nc(C)n2c(cc3sccc32)c1=O ZINC000005108466 FE Annotated Anodyne CC[C@H](C(=O)NC[C@H]1CCCO1)n1nc(C)n2c(cc3sccc32)c1=O ZINC000005108468 FE Annotated Anodyne C/C1=C/C(=O)C[C@@](C)(O)[C@H]2[C@H](O)C[C@](C)(O)[C@@H]2C(=O)[C@H](C(C)C)CC1 ZINC000005132412 FE Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3 ZINC000005132484 FE Annotated Anodyne biogenic O=C(NCc1ccco1)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000005143849 FE Annotated Anodyne CC[C@@H](C(=O)NCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O ZINC000005149754 FE Annotated Anodyne CC[C@H](C(=O)NCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O ZINC000005149758 FE Annotated Anodyne Cn1c[n+](Cc2ccc(/C=N/NC(=N)N3CCCC3)cc2)c2ccccc21 ZINC000005159522 FE Annotated Mild Cc1ncc(CO)c(/C=N/NC(=O)c2ccccc2Br)c1O ZINC000005159584 FE Annotated Reactive CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)/C=C/C(=O)O)cc2)c1C ZINC000005196394 FE Annotated Anodyne CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 ZINC000005408466 FE Annotated Anodyne O[C@@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1CO[C@H]2c1ccc2c(c1)OCO2 ZINC000005458888 FE Annotated Anodyne in-vitro biogenic CCOc1ccc2c(c1)n1ncc(C(=O)c3ccc(OC)cc3)c1[nH][n+]2=O ZINC000514290454 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@@H]2CC[C@@H](O)[C@@H]3[C@@]1(C)CC[C@@H]1CCOC1 ZINC000523041498 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@H]1CCOC1 ZINC000523041499 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@@H]2CC[C@@H](O)[C@@H]3[C@@]1(C)CC[C@H]1CCOC1 ZINC000523041501 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@H]1CCOC1 ZINC000523041502 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@@H]1CCOC1 ZINC000523041503 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@H]2CC[C@H](O)[C@@H]3[C@@]1(C)CC[C@@H]1CCOC1 ZINC000523041504 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H]1O[C@](C)(CCC[C@H]1C)[C@H]2OC(=O)CC(C)C ZINC000523041709 FE Annotated Mild biogenic C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)C[C@@H](C)CO)C1 ZINC000523041846 FE Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@H](C)O3)[C@H]12 ZINC000523041886 FE Annotated Mild C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@H](C)O3)[C@H]12 ZINC000523041891 FE Annotated Mild C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000523042025 FE Annotated Mild C/C=C(\C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000523042027 FE Annotated Mild C[C@@H](NC(=O)Cn1c(NCCO)nc2ccccc21)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000052715828 FE Annotated Anodyne C[C@H]1CO[C@H]2C(CNc3ccccc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996745 FE Annotated Mild C[C@H]1CO[C@@H]2C(CNc3ccccc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996746 FE Annotated Mild C[C@H]1CO[C@H]2C(CNc3ccccc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000052996747 FE Annotated Mild C[C@H]1CO[C@@H]2C(CNc3ccccc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000052996748 FE Annotated Mild C=C(CC/C=C(\CO)CC/C=C(/C)CO)C(=O)CC/C(=C\CO)C(=O)O ZINC000525915261 FE Annotated Mild Cn1/c(=N/NC(=O)[C@@H]2CCCO2)sc2cc(OC(F)(F)F)ccc21 ZINC000053193404 FE Annotated Reactive Cn1/c(=N/NC(=O)[C@H]2CCCO2)sc2cc(OC(F)(F)F)ccc21 ZINC000053193407 FE Annotated Reactive CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccco3)c2C1)c1ccccc1 ZINC000053226682 FE Annotated Anodyne O=S(=O)(/C=C/S(=O)(=O)c1ccc(Cl)cc1)CC1=NCCS1 ZINC000053242715 FE Annotated Anodyne COc1cc(CCC(=O)Oc2ccc3c(c2)C(=O)N(C)C3=O)ccc1N ZINC000053243426 FE Annotated Anodyne COc1cc(OC)c2c(c1)OC(CN1CCCC1)(CN1CCCC1)C2=O ZINC000053243832 FE Annotated Anodyne Cc1c(CCO)c(N2CC[C@H](N(C)C)C2)n2c(nc3ccccc32)c1C#N ZINC000053243910 FE Annotated Mild N/C(=N\c1ccc(S(N)(=O)=O)cc1)N1Cc2cccc3c2[C@@H](CCC3)C1 ZINC000053271659 FE Annotated Mild N/C(=N\c1ccc(S(N)(=O)=O)cc1)N1Cc2cccc3c2[C@H](CCC3)C1 ZINC000053271663 FE Annotated Mild O=C1C[C@H]2O[C@H]([C@H](OC(=O)c3ccccc3)c3ccccc3)[C@H](O)[C@H]2O1 ZINC000053276466 FE Annotated Anodyne N#Cc1cc2c([nH]c1=O)-c1c(ccn1S(=O)(=O)c1ccccc1)CC2 ZINC000053313869 FE Annotated Mild COC(=O)/C1=C2\Nc3ccccc3[C@@]23CCN(C/C=C\[C@](C)(C=O)C1)C3=O ZINC000053600580 FE Annotated Mild CCCCCNC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O ZINC000005501698 FE Annotated Mild C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000005560661 FE Annotated Reactive CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@@H]4[C@@H](CC2=O)[C@@H](CO[C@@H]4C)[C@@H]13 ZINC000005574736 FE Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN(C)C[C@H]4[C@H](C)OC[C@H]([C@@H]4CC2=O)[C@@H]13 ZINC000005574738 FE Annotated Anodyne CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)c2nn(C)c(=O)o2)cc1 ZINC000005579946 FE Annotated Clean CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2F)n2nnnc2N1 ZINC000005607704 FE Annotated Anodyne CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2F)n2nnnc2N1 ZINC000005607729 FE Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)C1=O ZINC000005657979 FE Annotated Clean CN1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)N(c3ccccc3)O[C@H]2C1=O ZINC000005657985 FE Annotated Clean CC(=O)N[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000005663116 FE Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000005663124 FE Annotated Anodyne CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccc(O)cc2)cc1 ZINC000005663493 FE Annotated Reactive CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccc(O)cc2)cc1 ZINC000005663521 FE Annotated Reactive C=C1C[C@@H]2OC(=O)C3=CCC[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]32CO ZINC000005663682 FE Annotated Mild Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1C ZINC000005721973 FE Annotated Anodyne COc1ccc2c(c1)C1=NCCN(CCO)c3ccc([N+](=O)[O-])c(c31)N2 ZINC000005733919 FE Annotated Clean CC(C)=CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@@H](O)CC(=O)[C@]21C ZINC000005735867 FE Annotated Anodyne CC1=C(CC[C@@]2(O)COC(=O)C2)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32 ZINC000005766563 FE Annotated Mild in-vitro biogenic CCC[C@H](O)[C@@H](O)c1ccc2c(c1O)C(=O)c1c(OC)cccc1C2=O ZINC000005785411 FE Annotated Clean C#CCn1c(O)c(/N=N/C(=O)CNC(=O)c2cccnc2)c2ccccc21 ZINC000005789064 FE Annotated Mild CN(C)CCNC(=O)c1cccc(N(C)C(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000005809844 FE Annotated Bother Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000005810829 FE Annotated Mild O=S(=O)(C1=C[C@H](S(=O)(=O)c2ccccc2)COC1)c1ccccc1 ZINC000005812478 FE Annotated Anodyne CCOC(=O)C1=NN(c2ccc(C)cc2)C2=CC(C)=NN(C)C(=S)N21 ZINC000005828695 FE Annotated Anodyne C/C=C1\[C@@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000005832108 FE Annotated Anodyne in-vitro C/C=C1\[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000005832772 FE Annotated Anodyne in-vitro O=C(CN1C(=O)c2ccccc2C1=O)OC[C@@H]1CCCN2CCCC[C@H]12 ZINC000005833047 FE Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21 ZINC000005834121 FE Annotated Anodyne CNC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)C)C1 ZINC000005835652 FE Annotated Anodyne CNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)C)C1 ZINC000005835660 FE Annotated Anodyne O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005838411 FE Annotated Reactive O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005838415 FE Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)N1n1cnc2ccccc2c1=O ZINC000005838573 FE Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc([N+](=O)[O-])cc2)N1n1cnc2ccccc2c1=O ZINC000005838578 FE Annotated Reactive COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1n1cnc2ccccc2c1=O ZINC000005838583 FE Annotated Reactive COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1n1cnc2ccccc2c1=O ZINC000005838589 FE Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 ZINC000005838596 FE Annotated Reactive COc1ccc([C@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 ZINC000005838599 FE Annotated Reactive CCOc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3S2(=O)=O)cc1 ZINC000005842098 FE Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H]1[C@@H](O)[C@H](O)[C@@H](C)CCC/C(C)=C/CC[C@@]2(C)O ZINC000005845222 FE Annotated Mild CC[C@H]1[C@@H]2C[C@H]3[C@@H]4Nc5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1O ZINC000005846870 FE Annotated Anodyne in-vitro C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CN(C)C)C[C@H]2[C@H](O)/C=C/C(=O)O1 ZINC000005849124 FE Annotated Anodyne CC(=N/NC(=S)N1CCCCC1)/C(C)=N\NC(=S)N1CCCCC1 ZINC000005850210 FE Annotated Mild S=C(N/N=C\C=N/NC(=S)N1CCCCCC1)N1CCCCCC1 ZINC000005850230 FE Annotated Mild CC(/C=N\NC(=S)N1CCCCC1)=N/NC(=S)N1CCCCC1 ZINC000005850246 FE Annotated Mild CN1CCN(c2c(F)cc3c(c2F)[C@@H](CCF)C=C(C(=O)O)C3=O)CC1 ZINC000005850903 FE Annotated Mild world COC(=O)[C@@H]1CC(C=[N+](C)C)=C(SC)N1C(=O)OCc1ccccc1 ZINC000005850978 FE Annotated Mild COc1cc2c3c(cc(Cl)nc3c1OC)[C@@](O)(CC(C)=O)C(=O)N2 ZINC000005855266 FE Annotated Anodyne COCCOC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)coc1=N ZINC000005864951 FE Annotated Anodyne COC(=O)[C@H]1C[C@@]23CCCN4C(=O)C[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000005879482 FE Annotated Anodyne CC1=NN(c2nc(N)nc(/C(C#N)=C/c3ccc([N+](=O)[O-])o3)n2)C(C)(C)C1 ZINC000005923368 FE Annotated Reactive COc1ccc([C@H]2NC3=C(CCCC3)[C@@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1 ZINC000005924180 FE Annotated Mild COc1ccc([C@@H]2NC3=C(CCCC3)[C@@]3(C#N)C(=O)N=C(N)[C@@]23C#N)cc1 ZINC000005924183 FE Annotated Mild COc1ccc([C@@H]2NC3=C(CCCC3)[C@@]3(C#N)C(=O)N=C(N)[C@]23C#N)cc1 ZINC000005924186 FE Annotated Anodyne Cc1c(C)c2c(c(N)c1C#N)C(=O)N(NC(=S)Nc1ccccc1)C2=O ZINC000005930373 FE Annotated Mild OCC(CO)OCn1c(Br)nc2c(Cl)cc(Cl)cc21 ZINC000005932743 FE Annotated Anodyne OCC(CO)OCn1c(Br)nc2cc(Cl)c(Cl)cc21 ZINC000005932800 FE Annotated Anodyne OCC(CO)OCn1c(Br)nc2c(Cl)c(Cl)ccc21 ZINC000005932932 FE Annotated Anodyne O=C1C[C@@H](SCc2ccccn2)N1C(=O)N[C@H](CO)c1ccccc1 ZINC000005939171 FE Annotated Anodyne O=C1C[C@H](SCc2ccccn2)N1C(=O)N[C@H](CO)c1ccccc1 ZINC000005939174 FE Annotated Anodyne C=C[C@@]1(C)C[C@]2(C=C(CO)[C@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21 ZINC000005954889 FE Annotated Mild C=C[C@@]1(C)C[C@@]2(C=C(CO)[C@H](O)O2)Oc2c1c(=O)oc1cccc(C)c21 ZINC000005954894 FE Annotated Mild CC(C)OC(=O)c1cc(CO)cn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000005963061 FE Annotated Anodyne CC1(C)OC(C)(C)/C(=C/NCCN/C=C2\C(=O)C(C)(C)OC2(C)C)C1=O ZINC000005963994 FE Annotated Mild in-man NC(N)=N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2sc(Cl)cn12 ZINC000005974055 FE Annotated Mild O=C1NCCN(Cc2ccccc2F)[C@H]1CC(=O)N1CCCCCCC1 ZINC000055036808 FE Annotated Anodyne O=C1NCCN(Cc2ccccc2F)[C@@H]1CC(=O)N1CCCCCCC1 ZINC000055036810 FE Annotated Anodyne Cc1nonc1N1CCN(Cc2cn(C)nc2-c2ccccc2F)CC1 ZINC000055108767 FE Annotated Anodyne Cc1ccc(CNc2nc(CN3CCNC(=O)C3)nc3ccccc23)o1 ZINC000055342337 FE Annotated Anodyne CCOC(=O)N1CCN(c2nc(CCN)nc3sc(C)c(C)c23)CC1 ZINC000055358006 FE Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000056870892 FE Annotated Mild in-vitro COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=C[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000056871352 FE Annotated Anodyne in-vitro COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000056871353 FE Annotated Anodyne in-vitro COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000056871362 FE Annotated Anodyne in-vitro COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000056871363 FE Annotated Anodyne in-vitro O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](CO)C2 ZINC000058487387 FE Annotated Anodyne O=C(O)c1c(C[C@@H]2NCCc3cc4c(cc32)OCO4)ccc2c1OCO2 ZINC000058487835 FE Annotated Anodyne O=C1CC=C2[C@H]3C[C@H]4[C@@]5(CC[N@+]4([O-])C/C3=C/CO)c3ccccc3N1[C@@H]25 ZINC000584879802 FE Annotated Bother C[C@H](O)[C@@H](C=O)[C@@H]1N=C(C(=O)O)[C@H](Sc2c[nH]c3ccccc23)[C@@H]1C ZINC000584904888 FE Annotated Mild Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCC[C@H]1C(=O)O)C(C)(C)C2 ZINC000058500350 FE Annotated Anodyne CCCCNc1nc(NNC(=O)c2ccncc2)nc(N2CCCCC2)n1 ZINC000058502207 FE Annotated Reactive CC(C)(C)Nc1nc(NNC(=O)c2ccncc2)nc(N2CCCCC2)n1 ZINC000058506338 FE Annotated Reactive CS(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1 ZINC000058538084 FE Annotated Anodyne N#Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)NCCc1ccccc1 ZINC000058538218 FE Annotated Mild CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2 ZINC000058540719 FE Annotated Anodyne CC(C)(C)CC(=O)N1CCN(N2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000058554425 FE Annotated Anodyne C=C(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O ZINC000058576502 FE Annotated Mild O=c1c2cccc(O)c2c(=O)c2c(O)c3c(cc12)c(=O)c1c(O)cccc13 ZINC000058581303 FE Annotated Bother CS(=O)(=O)Nc1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1 ZINC000058581580 FE Annotated Anodyne CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O ZINC000058582748 FE Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(C#CCOCCCCC(=O)O)ccc21 ZINC000058583742 FE Annotated Mild Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCOCC2)cc1 ZINC000058590577 FE Annotated Anodyne CN(C)CCN(C)[C@@H](c1ccc(F)cc1)c1nnnn1Cc1ccccc1 ZINC000058590578 FE Annotated Anodyne O=C(O)C1CC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)C1 ZINC000058590649 FE Annotated Anodyne CN(C)CC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(-n2nccn2)n1 ZINC000058592095 FE Annotated Anodyne CC(C)CN(CC(C)C)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000058592353 FE Annotated Bother CO[C@@H]1CC[C@@H](c2ccc(N3C[C@H](CNC(C)=O)CC3=O)cc2)CCC1=O ZINC000058601870 FE Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586880654 FE Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586881587 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586886287 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 ZINC000586886299 FE Annotated Anodyne CC1=C(c2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)NNC(=O)C1 ZINC000586887965 FE Annotated Anodyne CC1=C(c2ccc3nc([C@@H](O)c4cccc(O)c4)[nH]c3c2)NNC(=O)C1 ZINC000586887966 FE Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(I)cnc3[nH]2)c1 ZINC000586888179 FE Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(I)cnc3[nH]2)c1 ZINC000586888192 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586888625 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 ZINC000586888626 FE Annotated Anodyne CCCOc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br ZINC000586889193 FE Annotated Anodyne CCCOc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br ZINC000586889198 FE Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586889637 FE Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586889646 FE Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586889647 FE Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586889649 FE Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586889749 FE Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586889750 FE Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586889751 FE Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586889752 FE Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br ZINC000586889848 FE Annotated Anodyne CC(C)Oc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br ZINC000586889851 FE Annotated Anodyne CC(C)CCOc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586893071 FE Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586893073 FE Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586893080 FE Annotated Anodyne CC(C)CCOc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586893081 FE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](C)O)[nH]c2c1 ZINC000586893309 FE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](C)O)[nH]c2c1 ZINC000586893311 FE Annotated Anodyne Oc1cccc([C@H](O)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586894098 FE Annotated Anodyne Oc1cccc([C@@H](O)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586894099 FE Annotated Anodyne CCCCCOc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586894236 FE Annotated Anodyne CCCCCOc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586894239 FE Annotated Anodyne CCCCCOc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586894240 FE Annotated Anodyne CCCCCOc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586894241 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 ZINC000586899216 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586899568 FE Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586900562 FE Annotated Clean O=Cc1ccc(OCc2occc2-c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586900756 FE Annotated Anodyne Nc1nc(O)c2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2n1 ZINC000586901438 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586901890 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586901895 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586901896 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586901897 FE Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)oc12 ZINC000586903003 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586903556 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586903558 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 ZINC000586903559 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 ZINC000586903560 FE Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)oc12 ZINC000586904601 FE Annotated Anodyne O=S(=O)(c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1)N1CCOCC1 ZINC000586904767 FE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](O)C(C)(C)CO)nc2c1 ZINC000586904908 FE Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)ccc21 ZINC000586905782 FE Annotated Reactive COC(=O)c1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1OC ZINC000586906069 FE Annotated Reactive O=C1OC(=O)c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)ccc21 ZINC000586906748 FE Annotated Reactive Brc1cnc(Br)c2[nH]c(CC3OCCO3)nc12 ZINC000586906799 FE Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c3c2)NNC(=O)C1 ZINC000586907806 FE Annotated Reactive Clc1ncc(I)c2nc(CC3OCCO3)[nH]c12 ZINC000586908772 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 ZINC000586908834 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 ZINC000586909209 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 ZINC000586909215 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1 ZINC000586909558 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1 ZINC000586909559 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586909567 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586909568 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1 ZINC000586909788 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1 ZINC000586909789 FE Annotated Anodyne Nc1nc(O)c2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2n1 ZINC000586910173 FE Annotated Mild Nc1nc(O)c2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2n1 ZINC000586910174 FE Annotated Mild Oc1nc(O)c2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2n1 ZINC000586910186 FE Annotated Mild Oc1nc(O)c2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2n1 ZINC000586910187 FE Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(CC3OCCO3)nc2c1 ZINC000586910872 FE Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586910886 FE Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000586910889 FE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1 ZINC000586911509 FE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1 ZINC000586911512 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586912154 FE Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H](O)C3CCOCC3)nc-2[nH]1 ZINC000586912228 FE Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H](O)C3CCOCC3)nc-2[nH]1 ZINC000586912232 FE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1 ZINC000586912281 FE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1 ZINC000586912282 FE Annotated Anodyne O[C@H](c1nc2cc(I)cnc2[nH]1)C1CCOCC1 ZINC000586912893 FE Annotated Anodyne O[C@@H](c1nc2cc(I)cnc2[nH]1)C1CCOCC1 ZINC000586912898 FE Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586913420 FE Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586913421 FE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(O)CCOCC3)nc2c1 ZINC000586913477 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913647 FE Annotated Anodyne Oc1ccc(C2(c3nc4ccc(-n5cnnn5)cc4[nH]3)CCOCC2)cc1 ZINC000586914210 FE Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](O)C3CCOCC3)[nH]c12 ZINC000586914228 FE Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](O)C3CCOCC3)[nH]c12 ZINC000586914229 FE Annotated Anodyne O=S(=O)(c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1)C(F)(F)F ZINC000586914265 FE Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1)C(F)(F)F ZINC000586914275 FE Annotated Anodyne Nc1nc(O)c2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2n1 ZINC000586914475 FE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 ZINC000586915353 FE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 ZINC000586915354 FE Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586915700 FE Annotated Reactive COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586915701 FE Annotated Reactive COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586915702 FE Annotated Reactive COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586915703 FE Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 ZINC000586916154 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 ZINC000586916160 FE Annotated Anodyne C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C1 ZINC000586916545 FE Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586917030 FE Annotated Mild COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586917031 FE Annotated Mild COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586917033 FE Annotated Mild COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586917034 FE Annotated Mild CN(C)S(=O)(=O)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 ZINC000586917252 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586918831 FE Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c[nH]c(=N)[nH]c-4n3)c(=O)oc2c1C ZINC000586918913 FE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586919734 FE Annotated Bother N#Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1C#N ZINC000586919969 FE Annotated Mild O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586920033 FE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586920061 FE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586920069 FE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586920109 FE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586920189 FE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586920238 FE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586920412 FE Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586920464 FE Annotated Bother Nc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1N ZINC000586920520 FE Annotated Anodyne O=S(=O)(CCc1nc2cnc(Cl)[nH]c-2n1)c1ccc2c(c1)CCC2 ZINC000586920626 FE Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586920644 FE Annotated Anodyne O=C(O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586920707 FE Annotated Bother O=C(O)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920764 FE Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586920769 FE Annotated Mild O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586920784 FE Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000586920824 FE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000586920873 FE Annotated Bother O=S(=O)(CCc1nc2nc(Cl)c[nH]c-2n1)c1ccc2c(c1)CCC2 ZINC000586920878 FE Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586920885 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586921043 FE Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586921068 FE Annotated Mild COc1ccc(S(=O)(=O)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586921111 FE Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586921142 FE Annotated Anodyne N=c1[nH]cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)nc-2[nH]1 ZINC000586921143 FE Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586921144 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586921192 FE Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586921448 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586921455 FE Annotated Anodyne COc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Cl ZINC000586921741 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586921762 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586921859 FE Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(C(=O)OC)ccnc3[nH]2)c1 ZINC000586921893 FE Annotated Anodyne COc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2n1 ZINC000586921915 FE Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586921970 FE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586922052 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(Br)c2[nH]1 ZINC000586922054 FE Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=O)OC)nc3[nH]2)c1 ZINC000586922075 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586922106 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586922208 FE Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 ZINC000586922490 FE Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)cc2[nH]1 ZINC000586922540 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586922656 FE Annotated Anodyne COc1cncc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586922690 FE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586922699 FE Annotated Anodyne COc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cn1 ZINC000586922711 FE Annotated Anodyne NC(=O)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586923015 FE Annotated Anodyne COc1nccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586923047 FE Annotated Anodyne NC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586923056 FE Annotated Anodyne O=[N+]([O-])c1cncc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586923098 FE Annotated Bother Cc1ccc2c(ccc3nc(CS(=O)(=O)Cc4ccnn4C)[nH]c32)n1 ZINC000586923588 FE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586923635 FE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586923645 FE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\S(C)(=O)=O)nc2c1 ZINC000586923753 FE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/S(C)(=O)=O)nc2c1 ZINC000586923754 FE Annotated Anodyne CC1=C(c2ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c3c2)NNC(=O)C1 ZINC000586923923 FE Annotated Anodyne O=C1COc2cc3[nH]c(/C=C\S(=O)(=O)c4ccccc4)nc3cc2N1 ZINC000586923986 FE Annotated Anodyne O=C1COc2cc3[nH]c(/C=C/S(=O)(=O)c4ccccc4)nc3cc2N1 ZINC000586923987 FE Annotated Anodyne O=[N+]([O-])c1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1[N+](=O)[O-] ZINC000586924014 FE Annotated Bother O=S(=O)(/C=C\c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1 ZINC000586924035 FE Annotated Anodyne O=S(=O)(/C=C/c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1 ZINC000586924036 FE Annotated Anodyne COC(=O)c1cc2[nH]c(CS(=O)(=O)C3CCCC3)nc2cc1OC ZINC000586924699 FE Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1OC ZINC000586924756 FE Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586924920 FE Annotated Bother COc1cncc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 ZINC000586924932 FE Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cc(N)ncc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925152 FE Annotated Bother COc1cc(Cc2nc3cnccc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925248 FE Annotated Unstable CS(=O)(=O)c1cc(-c2nc3c(N)ccnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925286 FE Annotated Bother CS(=O)(=O)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586925399 FE Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586925523 FE Annotated Anodyne COc1cc(Cc2nc3cccnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925922 FE Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1Cl ZINC000586926036 FE Annotated Unstable COc1nccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c12 ZINC000586926255 FE Annotated Anodyne O=S(=O)(Cl)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1Cl ZINC000586926583 FE Annotated Unstable Cc1cc(-c2nc3c(O)nc(S)nc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586926887 FE Annotated Unstable COc1cc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2cn1 ZINC000586926909 FE Annotated Anodyne Cc1cc(-c2nc3nc(N)nc(Cl)c3[nH]2)ccc1S(=O)(=O)Cl ZINC000586926942 FE Annotated Unstable CS(=O)(=O)/C=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586926980 FE Annotated Clean CS(=O)(=O)/C=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586926989 FE Annotated Clean CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586927163 FE Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586927206 FE Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3ccnc(N)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927602 FE Annotated Bother CCc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927770 FE Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586927864 FE Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(N)ncnc2[nH]1 ZINC000586928162 FE Annotated Unstable CS(=O)(=O)c1cc(-c2nc3ccnc(O)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928178 FE Annotated Bother COc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Cl ZINC000586928414 FE Annotated Anodyne CN(Cc1nc2cc(N)c(N)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928429 FE Annotated Anodyne CN(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928484 FE Annotated Anodyne Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(N)ncnc3[nH]2)c1Cl ZINC000586928540 FE Annotated Unstable CN(Cc1nc2cnc(Cl)[nH]c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928549 FE Annotated Anodyne COc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2n1 ZINC000586928562 FE Annotated Anodyne COc1cccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586928577 FE Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(O)nc(N)nc3[nH]2)c1Cl ZINC000586928581 FE Annotated Unstable CN(Cc1nc2ccc(Cl)nc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928588 FE Annotated Mild CN(Cc1nc2c(Cl)ccnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928591 FE Annotated Mild CN(Cc1nc2ccnc(O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928617 FE Annotated Anodyne CN(Cc1nc2ccc(C(C)(C)C)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928623 FE Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc12 ZINC000586928639 FE Annotated Anodyne COc1cncc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586928645 FE Annotated Anodyne Cc1cc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c(C)n1 ZINC000586928691 FE Annotated Mild COc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1F ZINC000586928698 FE Annotated Mild CN(Cc1nc2cccc(C#N)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928707 FE Annotated Mild CN(Cc1nc2ccnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928710 FE Annotated Mild COc1nccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586928736 FE Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cn1 ZINC000586928762 FE Annotated Anodyne CN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928796 FE Annotated Mild CN(Cc1nc2cc(Cl)ncc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928827 FE Annotated Mild CN(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928846 FE Annotated Anodyne CN(Cc1nc2cnc3ccccc3c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928868 FE Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928872 FE Annotated Anodyne CN(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928891 FE Annotated Anodyne COc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586928957 FE Annotated Mild CN(Cc1nc2cc(Cl)cnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928958 FE Annotated Mild CN(Cc1nc2c(N)ccnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929073 FE Annotated Anodyne CN(Cc1nc2cc(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929074 FE Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586929082 FE Annotated Anodyne CN(Cc1nc2ccc3ncccc3c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929118 FE Annotated Anodyne CN(Cc1nc2cncc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929128 FE Annotated Mild CN(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929164 FE Annotated Anodyne CN(Cc1nc2ccc(C#N)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929343 FE Annotated Mild CN(Cc1nc2c(Cl)ncnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929348 FE Annotated Anodyne CN(Cc1nc2nc(Cl)c[nH]c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929374 FE Annotated Anodyne CC(=O)c1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 ZINC000586929381 FE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586929415 FE Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586929424 FE Annotated Bother CN(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929460 FE Annotated Anodyne CN(Cc1nc2cc(C#N)cc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929494 FE Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1Cl ZINC000586929597 FE Annotated Unstable CN(Cc1nc2cc3cn[nH]c3cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929651 FE Annotated Mild CN(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929655 FE Annotated Anodyne CC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586929674 FE Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(Br)cc3[nH]2)c1 ZINC000586929701 FE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)c(F)ccc3[nH]2)c1 ZINC000586929706 FE Annotated Anodyne CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929720 FE Annotated Mild Cc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br ZINC000586929751 FE Annotated Anodyne N#Cc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1C(F)(F)F ZINC000586929752 FE Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(Br)ccc3[nH]2)c1 ZINC000586929756 FE Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc12 ZINC000586929760 FE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(F)cc(Br)cc3[nH]2)c1 ZINC000586929776 FE Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 ZINC000586929801 FE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(F)cc3[nH]2)c1 ZINC000586929810 FE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)cnc2[nH]1 ZINC000586929846 FE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccnc(Cl)c2[nH]1 ZINC000586929858 FE Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586929903 FE Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586929943 FE Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 ZINC000586929961 FE Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc12 ZINC000586930079 FE Annotated Anodyne Cc1cc2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2cc1[N+](=O)[O-] ZINC000586930082 FE Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cncc(Cl)c2[nH]1 ZINC000586930164 FE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Cl)nc2[nH]1 ZINC000586930166 FE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586930195 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)o1 ZINC000586930241 FE Annotated Bother CN(C)S(=O)(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586930284 FE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Cl)ccnc2[nH]1 ZINC000586930330 FE Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586930353 FE Annotated Bother CN(C)S(=O)(=O)c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)o1 ZINC000586930364 FE Annotated Anodyne Cc1c(Br)cc2nc(CCS(=O)(=O)N(C)C)[nH]c2c1C ZINC000586930372 FE Annotated Anodyne Cc1cc(Br)c2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c2c1 ZINC000586930442 FE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586930456 FE Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)cc(F)c2[nH]1 ZINC000586930497 FE Annotated Anodyne COc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1C ZINC000586930528 FE Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586930754 FE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586930985 FE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)ncc2[nH]1 ZINC000586931004 FE Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586931031 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)o1 ZINC000586931121 FE Annotated Anodyne COc1cc2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2cc1OC ZINC000586931245 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000586931341 FE Annotated Mild CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(C#N)c3[nH]2)cc1 ZINC000586931359 FE Annotated Mild CN(C)S(=O)(=O)c1ccc(-c2nc3cnc(Br)cc3[nH]2)o1 ZINC000586931379 FE Annotated Anodyne COc1cc(OC)c2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2c1 ZINC000586931445 FE Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586931472 FE Annotated Bother Cc1cc2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2cc1[N+](=O)[O-] ZINC000586931548 FE Annotated Bother CN(C)S(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)o1 ZINC000586931553 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586931590 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586931658 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586931818 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586931843 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(Br)cc3[nH]2)o1 ZINC000586931857 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nc(Br)ccc3[nH]2)o1 ZINC000586931879 FE Annotated Anodyne COc1cccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 ZINC000586931882 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cncc3[nH]2)o1 ZINC000586931887 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nccc(Br)c3[nH]2)o1 ZINC000586931890 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586931900 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586931921 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)nccc3[nH]2)o1 ZINC000586931923 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586931964 FE Annotated Anodyne Cc1cc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c(C)n1 ZINC000586931982 FE Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586932159 FE Annotated Bother CN(C)S(=O)(=O)CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586932209 FE Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586932214 FE Annotated Clean CN(C)S(=O)(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586932270 FE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(C(=O)OC)ccnc2[nH]1)C(C)C ZINC000586932568 FE Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(C(=O)OC)ccnc2[nH]1)C(C)C ZINC000586932569 FE Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(=O)OC)ncc2[nH]1)C(C)C ZINC000586932646 FE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(=O)OC)ncc2[nH]1)C(C)C ZINC000586932647 FE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586933075 FE Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586933079 FE Annotated Bother CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)OC)nc2[nH]1)C(C)C ZINC000586933436 FE Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)OC)nc2[nH]1)C(C)C ZINC000586933437 FE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)C(C)C ZINC000586933452 FE Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)C(C)C ZINC000586933453 FE Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(N)=O)cc2[nH]1)C(C)C ZINC000586933938 FE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(N)=O)cc2[nH]1)C(C)C ZINC000586933939 FE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1 ZINC000586934888 FE Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2cc1OC ZINC000586934892 FE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)c1 ZINC000586935000 FE Annotated Mild COc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1F ZINC000586935440 FE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1 ZINC000586935448 FE Annotated Bother COc1cc(OC)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c1 ZINC000586935453 FE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(F)c3[nH]2)c1 ZINC000586935479 FE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000586935603 FE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cncnc2[nH]1 ZINC000586935880 FE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncnc2[nH]1 ZINC000586935884 FE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1 ZINC000586936055 FE Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2cc1[N+](=O)[O-] ZINC000586936523 FE Annotated Bother CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1 ZINC000586936555 FE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586936977 FE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586936981 FE Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)c1 ZINC000586937324 FE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586937593 FE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586937883 FE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586937898 FE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586937900 FE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ncc[nH]c-2n1 ZINC000586937940 FE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ncc[nH]c-2n1 ZINC000586937941 FE Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c32)n1 ZINC000586938013 FE Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c32)n1 ZINC000586938027 FE Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586938411 FE Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586938414 FE Annotated Anodyne Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Cl ZINC000586939426 FE Annotated Anodyne Cc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Cl ZINC000586939427 FE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3ccccc3cc2[nH]1 ZINC000586939642 FE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3ccccc3cc2[nH]1 ZINC000586939644 FE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586939874 FE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586939875 FE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586939884 FE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586939885 FE Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586939900 FE Annotated Anodyne CC(C)Oc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586939901 FE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586939946 FE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586939947 FE Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586940180 FE Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586940181 FE Annotated Anodyne CSc1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586940182 FE Annotated Anodyne CSc1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586940184 FE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000586940615 FE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000586940616 FE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586940665 FE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586940669 FE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586940758 FE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586940759 FE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586940865 FE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586940866 FE Annotated Anodyne COc1nccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c12 ZINC000586940873 FE Annotated Anodyne COc1nccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c12 ZINC000586940874 FE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586940896 FE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586940897 FE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586940985 FE Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586940986 FE Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586941035 FE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586941037 FE Annotated Anodyne Cc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1C ZINC000586941039 FE Annotated Anodyne COc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cn1 ZINC000586941051 FE Annotated Anodyne COc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cn1 ZINC000586941052 FE Annotated Anodyne CCc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941097 FE Annotated Anodyne Cc1ccc(C)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586941104 FE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586941138 FE Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586941139 FE Annotated Bother Cc1cc(C)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586941301 FE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586941344 FE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586941350 FE Annotated Anodyne O=S(=O)(NCc1nc2cnccc2[nH]1)c1ccc(Br)s1 ZINC000586941614 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586941765 FE Annotated Anodyne O=S(=O)(NCCc1nc2ccnc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586941776 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586941797 FE Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586941830 FE Annotated Anodyne COc1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2n1 ZINC000586941875 FE Annotated Anodyne COc1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2n1 ZINC000586941877 FE Annotated Anodyne O=S(=O)(NCCc1nc2cnncc2[nH]1)c1c(Cl)cccc1Cl ZINC000586941923 FE Annotated Anodyne O=S(=O)(NCCc1nc2ncc[nH]c-2n1)c1c(Cl)cccc1Cl ZINC000586941943 FE Annotated Anodyne O=S(=O)(NCCc1nc2cccc(F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586941944 FE Annotated Anodyne COc1cncc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c12 ZINC000586942002 FE Annotated Anodyne COc1cncc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c12 ZINC000586942003 FE Annotated Anodyne Cc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586942074 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586942430 FE Annotated Mild N#Cc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586942446 FE Annotated Mild O=S(=O)(NCCc1nc2ccc(Cl)nc2[nH]1)c1ccc(Cl)nc1 ZINC000586942459 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586942482 FE Annotated Anodyne COc1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942485 FE Annotated Anodyne N#Cc1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942486 FE Annotated Mild Cc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1C ZINC000586942564 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586942586 FE Annotated Mild Cc1cc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c(C)n1 ZINC000586942640 FE Annotated Anodyne O=S(=O)(NCCc1nc2cncnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942800 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586942813 FE Annotated Anodyne O=S(=O)(NCCc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942839 FE Annotated Anodyne O=S(=O)(NCCc1nc2cncc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942850 FE Annotated Anodyne Cc1cccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942863 FE Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)ccnc2[nH]1)c1ccc(Cl)nc1 ZINC000586942907 FE Annotated Anodyne O=S(=O)(NCc1nc2cccnc2[nH]1)c1ccc(Br)s1 ZINC000586943008 FE Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943071 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586943072 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586943139 FE Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)ncc2[nH]1)c1ccc(Cl)nc1 ZINC000586943177 FE Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)cnc2[nH]1)c1ccc(Cl)nc1 ZINC000586943189 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586943197 FE Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586944632 FE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586944946 FE Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccnc2[nH]1 ZINC000586945273 FE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccnc2[nH]1 ZINC000586945275 FE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586945367 FE Annotated Bother COc1cc(OC)c2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c1 ZINC000586945486 FE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586945575 FE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586945625 FE Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ncc[nH]c-2n1 ZINC000586945665 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(C(=O)OC)c3[nH]2)cc1 ZINC000586945693 FE Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cncnc2[nH]1 ZINC000586945997 FE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586946078 FE Annotated Anodyne COc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1F ZINC000586946185 FE Annotated Anodyne COc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1OC ZINC000586946198 FE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cnccc2[nH]1 ZINC000586946229 FE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cnccc2[nH]1 ZINC000586946230 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586946316 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586946358 FE Annotated Bother Cc1cc2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2cc1[N+](=O)[O-] ZINC000586946468 FE Annotated Bother Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586946479 FE Annotated Bother O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnncc2[nH]1 ZINC000586946513 FE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586946521 FE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586946531 FE Annotated Bother CNS(=O)(=O)c1cc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)n(C)c1 ZINC000586946577 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cccc3[nH]2)n(C)c1 ZINC000586946638 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586946665 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)n(C)c1 ZINC000586946699 FE Annotated Bother CNS(=O)(=O)c1cc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)n(C)c1 ZINC000586946717 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586946766 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586946767 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586946771 FE Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586946794 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(C(F)(F)F)cccc3[nH]2)n(C)c1 ZINC000586946954 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c(OC)cc3[nH]2)n(C)c1 ZINC000586947010 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586947035 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(C)=O)cc3[nH]2)cc1 ZINC000586947130 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)n(C)c1 ZINC000586947228 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586947263 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586947322 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Br)ccc3[nH]2)n(C)c1 ZINC000586947335 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000586947337 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586947367 FE Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(=O)OC)cc3[nH]2)cc1 ZINC000586947381 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)n(C)c1 ZINC000586947413 FE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586947453 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)n(C)c1 ZINC000586947482 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)n(C)c1 ZINC000586947549 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)n(C)c1 ZINC000586947577 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)n(C)c1 ZINC000586947600 FE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)n(C)c1 ZINC000586947623 FE Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 ZINC000586947876 FE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000586947942 FE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000586947951 FE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000586948077 FE Annotated Clean CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(N)nc(Cl)c3[nH]2)cc1 ZINC000586948292 FE Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 ZINC000586948407 FE Annotated Clean COC(=O)c1cccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586948618 FE Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000586948674 FE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 ZINC000586949053 FE Annotated Clean COc1cc(OC)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 ZINC000586949071 FE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000586949088 FE Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586949204 FE Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 ZINC000586949283 FE Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000586949704 FE Annotated Mild CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586949837 FE Annotated Mild CS(=O)(=O)Nc1ccccc1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586949948 FE Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586950099 FE Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586950176 FE Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586950196 FE Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586950207 FE Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586950343 FE Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586950344 FE Annotated Anodyne O=S(=O)(Cc1nc2ncc[nH]c-2n1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950355 FE Annotated Anodyne O=S(=O)(Cc1nc2cncnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950384 FE Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586950529 FE Annotated Mild COc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1OC ZINC000586950709 FE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586950765 FE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586950803 FE Annotated Mild Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586950875 FE Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586951044 FE Annotated Anodyne COC(=O)c1cccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c12 ZINC000586951092 FE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586951125 FE Annotated Mild COc1cc(OC)c2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c1 ZINC000586951141 FE Annotated Anodyne O=S(=O)(Cc1nc2cnncc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951469 FE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586951495 FE Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586951600 FE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586951672 FE Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1 ZINC000586951701 FE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586951723 FE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586951724 FE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586951745 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000586951923 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OC)c(OC)cc3[nH]2)CC1 ZINC000586951971 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(=O)O)cc3[nH]2)CC1 ZINC000586952015 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cccc(C(=O)O)c3[nH]2)CC1 ZINC000586952016 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCO4)CC1 ZINC000586952030 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 ZINC000586952031 FE Annotated Mild CC1CCC(NS(=O)(=O)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 ZINC000586952139 FE Annotated Anodyne COC(=O)c1cccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 ZINC000586952203 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(CCO)cc3[nH]2)CC1 ZINC000586952292 FE Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cncnc2[nH]1 ZINC000586952313 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 ZINC000586952367 FE Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 ZINC000586952461 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(CCO)cc3[nH]2)CC1 ZINC000586952469 FE Annotated Anodyne Nc1ccnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 ZINC000586952528 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 ZINC000586952666 FE Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ncc[nH]c-2n1 ZINC000586952703 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)CC1 ZINC000586952755 FE Annotated Mild CC1CCC(NS(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000586952772 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586952780 FE Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 ZINC000586952802 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 ZINC000586952803 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 ZINC000586952977 FE Annotated Anodyne Nc1nccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586953241 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OC)cc(OC)c3[nH]2)CC1 ZINC000586953242 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 ZINC000586953277 FE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 ZINC000586953278 FE Annotated Anodyne Nc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cn1 ZINC000586953356 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)nc(C#N)c3[nH]2)CC1 ZINC000586953380 FE Annotated Mild CCCS(=O)(=O)N1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1 ZINC000586953561 FE Annotated Mild CC1CCC(NS(=O)(=O)Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000586953614 FE Annotated Bother CC1CCC(NS(=O)(=O)Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000586953800 FE Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnncc2[nH]1 ZINC000586954022 FE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 ZINC000586954315 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnncc4[nH]3)CC2)cc1 ZINC000586954352 FE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(C#N)c4[nH]3)c2N)C1 ZINC000586954419 FE Annotated Mild CCCS(=O)(=O)N1CCC(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586954437 FE Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000586954790 FE Annotated Bother CNS(=O)(=O)N1CCC(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 ZINC000586954983 FE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(F)c4[nH]3)c2N)C1 ZINC000586955146 FE Annotated Anodyne COc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586955245 FE Annotated Anodyne Cc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586955362 FE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc(C(F)(F)F)c3[nH]2)CC1 ZINC000586955457 FE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000586955587 FE Annotated Anodyne Cc1cccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586955606 FE Annotated Anodyne COc1cccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586955619 FE Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3ccnc(O)c3[nH]2)c1)N1CCC1 ZINC000586955643 FE Annotated Anodyne Cc1cc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c(C)n1 ZINC000586955755 FE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(C#N)cc4[nH]3)c2N)C1 ZINC000586956007 FE Annotated Mild CNS(=O)(=O)N1CCC(c2nc3ccc4nc(C)ccc4c3[nH]2)CC1 ZINC000586956157 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586957571 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000586957572 FE Annotated Anodyne COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1F ZINC000586957600 FE Annotated Anodyne COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1F ZINC000586957601 FE Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586957609 FE Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586957610 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586957907 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586957909 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586957928 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586957931 FE Annotated Anodyne CC1=C(c2ccc3nc(C(C)(C)SCC(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000586958273 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586958326 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000586958327 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586958337 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000586958338 FE Annotated Anodyne CC(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586958585 FE Annotated Anodyne CC(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586958586 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000586958600 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000586958601 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586958878 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000586958880 FE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 ZINC000586959141 FE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 ZINC000586959153 FE Annotated Anodyne COc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1C ZINC000586959286 FE Annotated Anodyne COc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1C ZINC000586959306 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 ZINC000586959351 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 ZINC000586959354 FE Annotated Anodyne O=[S@@](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)CC1CC1 ZINC000586959378 FE Annotated Anodyne O=[S@](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)CC1CC1 ZINC000586959382 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586959669 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000586959671 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586959944 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000586959946 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586959965 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000586959967 FE Annotated Anodyne O=[S@](Cc1nc2cc(I)cnc2[nH]1)CC1CC1 ZINC000586960229 FE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586960472 FE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000586960473 FE Annotated Anodyne O=[S@@](Cc1nc2cc(I)cnc2[nH]1)CC1CC1 ZINC000586960515 FE Annotated Anodyne CC1=C(c2ccc3nc(CSC(C)(C)C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000586960703 FE Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586962018 FE Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586962019 FE Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586962150 FE Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586962152 FE Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586962514 FE Annotated Reactive CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586962520 FE Annotated Reactive C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586962646 FE Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586962647 FE Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586962726 FE Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586962729 FE Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586962951 FE Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586962953 FE Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586963421 FE Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586963422 FE Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586963824 FE Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586963825 FE Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586964086 FE Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586964087 FE Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586964091 FE Annotated Mild CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586964092 FE Annotated Mild Cc1ccc(-c2nnc(SCc3nc4c[nH]c(=N)[nH]c-4n3)n2C)cc1 ZINC000586964979 FE Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(O)ncnc4[nH]3)n2C)cc1 ZINC000586965544 FE Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cnnc(O)c4[nH]3)n2C)cc1 ZINC000586965611 FE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccnc(O)c2[nH]1 ZINC000586965722 FE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnccc2[nH]1 ZINC000586965728 FE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccnc2[nH]1 ZINC000586965882 FE Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(N)ncnc4[nH]3)n2C)cc1 ZINC000586965895 FE Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(O)nc(O)nc4[nH]3)n2C)cc1 ZINC000586966010 FE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nc(O)cc(O)n3)nc2c1 ZINC000586966183 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3c(Br)ccnc3[nH]2)n1 ZINC000586966186 FE Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)n1 ZINC000586966190 FE Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)n1 ZINC000586966249 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1 ZINC000586966264 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccnc(Br)c3[nH]2)n1 ZINC000586966279 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586966622 FE Annotated Anodyne Oc1nc(S)nc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586966677 FE Annotated Anodyne NC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966704 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3c(F)cnc(Br)c3[nH]2)n1 ZINC000586966777 FE Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966865 FE Annotated Anodyne O=C(O)c1cccnc1SCc1nc2nc(Br)c[nH]c-2n1 ZINC000586966960 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 ZINC000586967027 FE Annotated Anodyne N=c1[nH]c2nc(CSc3nc(-c4cccnc4)no3)nc-2c(Cl)[nH]1 ZINC000586967032 FE Annotated Anodyne CCc1cc(O)nc(SCc2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000586967059 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Br)ncc3[nH]2)n1 ZINC000586967062 FE Annotated Anodyne COC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1 ZINC000586967231 FE Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586967239 FE Annotated Anodyne CCc1cc(O)nc(SCc2nc3nc(Br)c[nH]c-3n2)n1 ZINC000586967327 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3cncc(Br)c3[nH]2)n1 ZINC000586967328 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(Br)nc3[nH]2)n1 ZINC000586967349 FE Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Br)cnc3[nH]2)n1 ZINC000586967350 FE Annotated Anodyne COC(=O)c1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cn1 ZINC000586967360 FE Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 ZINC000586967973 FE Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586968230 FE Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586968231 FE Annotated Anodyne O=C1COc2cc3[nH]c(CSc4ncccc4C(=O)O)nc3cc2N1 ZINC000586969383 FE Annotated Anodyne CSCC(C)(C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586969447 FE Annotated Anodyne [O-][n+]1ccccc1SCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586969493 FE Annotated Anodyne CC1=C(c2ccc3nc(CSc4cccc[n+]4[O-])[nH]c3c2)NNC(=O)C1 ZINC000586969729 FE Annotated Anodyne O=C(O)c1cccnc1SCc1nc2c(S)nc(S)nc2[nH]1 ZINC000586969770 FE Annotated Anodyne CN1CCN(c2ccc3nc(CSc4cccc[n+]4[O-])[nH]c3c2)CC1 ZINC000586969874 FE Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586970745 FE Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586970746 FE Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586971134 FE Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586971135 FE Annotated Reactive O=C(CBr)NCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586971207 FE Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586971233 FE Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586971234 FE Annotated Reactive COc1cc(Br)c([C@@H](N)c2nc3ncc[nH]c-3n2)cc1OC ZINC000586975361 FE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ncc[nH]c-3n2)cc1OC ZINC000586975362 FE Annotated Anodyne Nc1nc(O)c2nc(COc3ccc(Cl)cc3Br)[nH]c2n1 ZINC000586976148 FE Annotated Anodyne COc1cc(/C=C/c2nc3c(O)nc(N)nc3[nH]2)ccc1Br ZINC000586976186 FE Annotated Anodyne COc1cc(/C=C\c2nc3c(O)nc(N)nc3[nH]2)ccc1Br ZINC000586976193 FE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cnncc3[nH]2)cc1OC ZINC000586977169 FE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cnncc3[nH]2)cc1OC ZINC000586977171 FE Annotated Anodyne Cc1nn(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1Br ZINC000586978731 FE Annotated Anodyne Cc1nn(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)c1Br ZINC000586978765 FE Annotated Bother Cc1nn(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)c1Br ZINC000586978769 FE Annotated Bother COC(=O)c1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cn1 ZINC000586978839 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3nc(C)c(Br)c3C)nc12 ZINC000586979224 FE Annotated Anodyne Cc1c(-c2nc3c(O)nc(N)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979285 FE Annotated Bother Cc1c(-c2nc3c(O)nc(O)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979299 FE Annotated Bother CCOc1n[nH]c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1Br ZINC000586979304 FE Annotated Bother COC(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2n1 ZINC000586979347 FE Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(=O)OC)ncc3[nH]2)c1Br ZINC000586979522 FE Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C(=O)OC)nc3[nH]2)c1Br ZINC000586979546 FE Annotated Anodyne CCOc1n[nH]c(-c2nc3c(S)nc(S)nc3[nH]2)c1Br ZINC000586980055 FE Annotated Anodyne CCOc1n[nH]c(-c2nc3c(C(=O)OC)ccnc3[nH]2)c1Br ZINC000586980188 FE Annotated Anodyne CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1Br ZINC000586980231 FE Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2ncc[nH]c-2n1 ZINC000586980596 FE Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(O)nc(O)nc2[nH]1 ZINC000586981118 FE Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(O)nc(N)nc2[nH]1 ZINC000586981810 FE Annotated Anodyne N#Cc1nc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2nc1C#N ZINC000586983293 FE Annotated Mild CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ncc[nH]c-2n1 ZINC000586984113 FE Annotated Anodyne N=c1[nH]c2nc([C@H](N)Cc3cccc(Br)c3)nc-2c(Cl)[nH]1 ZINC000586984251 FE Annotated Anodyne N=c1[nH]c2nc([C@@H](N)Cc3cccc(Br)c3)nc-2c(Cl)[nH]1 ZINC000586984255 FE Annotated Anodyne NNC(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984578 FE Annotated Reactive NNC(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984581 FE Annotated Reactive N#Cc1nc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2nc1C#N ZINC000586984610 FE Annotated Mild N#Cc1nc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2nc1C#N ZINC000586984616 FE Annotated Mild N[C@H](Cc1cccc(Br)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586984849 FE Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586984854 FE Annotated Anodyne CC(=O)N[C@H](Cc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1 ZINC000586984999 FE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1 ZINC000586985000 FE Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)COCC3=O)nc3ccc(O)c1c23 ZINC000586988825 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C3 ZINC000586989181 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@H](C(=O)O)[C@H]1C3 ZINC000586989182 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@@H](C(=O)O)[C@H]1C3 ZINC000586989183 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN[C@H](C(=O)O)[C@@H]1C3 ZINC000586989184 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@H](C(=O)O)[C@@H]31 ZINC000586989325 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@H]31 ZINC000586989326 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]31 ZINC000586989327 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN[C@H](C(=O)O)[C@H]31 ZINC000586989328 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1[C@@H]3CN[C@H]1C(=O)O ZINC000586989652 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H](C(=O)O)NC[C@H]31 ZINC000586989653 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@H](C(=O)O)NC[C@@H]31 ZINC000586989654 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 ZINC000586989655 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1[C@@H]3CN[C@H]1C(=O)O ZINC000586990097 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 ZINC000586990099 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@H](C(=O)O)NC[C@@H]31 ZINC000586990100 FE Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1[C@@H](C(=O)O)NC[C@H]31 ZINC000586990104 FE Annotated Anodyne CS(=O)(=O)NCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994223 FE Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)NCC(=O)O)nc13)-c1ccccc1C2=O ZINC000586994966 FE Annotated Anodyne Oc1nc(S)nc2[nH]c([C@H](O)c3ccc(Br)cc3)nc12 ZINC000586996226 FE Annotated Anodyne NNC(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996293 FE Annotated Reactive Oc1nc(O)c2nc(CCNc3ccc(Br)cc3)[nH]c2n1 ZINC000586996575 FE Annotated Anodyne N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586996743 FE Annotated Anodyne N=c1[nH]c2nc([C@H](O)c3ccc(Br)cc3)nc-2c(Cl)[nH]1 ZINC000586997045 FE Annotated Anodyne N=c1[nH]c2nc(C[C@@H](N)c3ccc(Br)cc3)nc-2c(Cl)[nH]1 ZINC000586997064 FE Annotated Anodyne N#Cc1nc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2nc1C#N ZINC000586997193 FE Annotated Mild O[C@H](c1ccc(Br)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586997700 FE Annotated Anodyne N=c1[nH]cc2nc(/C=C/c3cc4c(cc3Br)OCO4)nc-2[nH]1 ZINC000586999362 FE Annotated Anodyne N=c1[nH]cc2nc(/C=C\c3cc4c(cc3Br)OCO4)nc-2[nH]1 ZINC000586999363 FE Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)n1 ZINC000586999582 FE Annotated Bother CCn1cc(Br)c(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 ZINC000586999645 FE Annotated Anodyne Nc1ncnc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 ZINC000586999791 FE Annotated Anodyne CCn1cc(Br)c(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)n1 ZINC000586999998 FE Annotated Bother CCn1cc(Br)c(Cc2nc3ccc(C(=O)OC)nc3[nH]2)n1 ZINC000587000018 FE Annotated Anodyne Nc1ncnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc12 ZINC000587000439 FE Annotated Anodyne N=c1[nH]cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc-2[nH]1 ZINC000587000463 FE Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C(=O)OC)ncc3[nH]2)n1 ZINC000587000728 FE Annotated Anodyne N=c1[nH]cc2nc(CCn3ncc4cc(Br)ccc43)nc-2[nH]1 ZINC000587001010 FE Annotated Anodyne Nc1ncc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2n1 ZINC000587001297 FE Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(C(=O)OC)ccnc3[nH]2)n1 ZINC000587001365 FE Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cnncc2[nH]1 ZINC000587001832 FE Annotated Anodyne N=c1[nH]cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)nc-2[nH]1 ZINC000587002053 FE Annotated Anodyne N=c1[nH]cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)nc-2[nH]1 ZINC000587002058 FE Annotated Anodyne N=c1[nH]cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc-2[nH]1 ZINC000587002478 FE Annotated Anodyne N=c1[nH]cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc-2[nH]1 ZINC000587002479 FE Annotated Anodyne Oc1nncc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002603 FE Annotated Anodyne Nc1ncnc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 ZINC000587003058 FE Annotated Anodyne Nc1ncnc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 ZINC000587003062 FE Annotated Anodyne Nc1ncnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 ZINC000587003285 FE Annotated Anodyne Oc1ncnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 ZINC000587003408 FE Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cncnc2[nH]1 ZINC000587003431 FE Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ncc[nH]c-2n1 ZINC000587003934 FE Annotated Anodyne N#Cc1nc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2nc1C#N ZINC000587004501 FE Annotated Mild NNC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587004814 FE Annotated Reactive NNC(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005414 FE Annotated Reactive N=c1[nH]c2nc(-c3nc(Cl)cnc3Br)nc-2c(Cl)[nH]1 ZINC000587005508 FE Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3nc(Cl)cnc3Br)nc12 ZINC000587005918 FE Annotated Anodyne Clc1ncnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587005995 FE Annotated Anodyne N#Cc1nc2nc(-c3cnn4cccc(Br)c34)[nH]c2nc1C#N ZINC000587006041 FE Annotated Mild Oc1nc(S)nc2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006075 FE Annotated Anodyne N#Cc1nc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2nc1C#N ZINC000587006304 FE Annotated Mild NNC(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006375 FE Annotated Reactive Clc1c[nH]c2nc(-c3cnn4cc(Br)cnc34)nc-2n1 ZINC000587006688 FE Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587006917 FE Annotated Anodyne Clc1ncc2nc(-c3cnn4cc(Br)cnc34)nc-2[nH]1 ZINC000587007004 FE Annotated Anodyne N=c1[nH]c2nc(-c3cnn4cccc(Br)c34)nc-2c(Cl)[nH]1 ZINC000587007125 FE Annotated Anodyne COC(=O)c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cn1 ZINC000587007533 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587007562 FE Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587007814 FE Annotated Bother N#Cc1nc2nc(-c3cccn4c(Br)cnc34)nc-2[nH]c1C#N ZINC000587007847 FE Annotated Mild Nc1nc(Cl)c2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 ZINC000587007858 FE Annotated Anodyne COC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 ZINC000587008837 FE Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587009307 FE Annotated Bother CC(C)(NC(=O)CCl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587009563 FE Annotated Reactive N[C@H](CCl)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587010408 FE Annotated Reactive Cc1nc(C)c(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)s1 ZINC000587010936 FE Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587011254 FE Annotated Reactive Nc1nc(O)c2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 ZINC000587011797 FE Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)s1 ZINC000587012219 FE Annotated Anodyne CCCc1sc(N)nc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587013561 FE Annotated Anodyne CCCc1sc(N)nc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587013807 FE Annotated Anodyne Cc1nc(Br)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587014865 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016044 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016046 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587016121 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587016122 FE Annotated Anodyne N=c1[nH]cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2[nH]1 ZINC000587017018 FE Annotated Anodyne Nc1nc(O)c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 ZINC000587017228 FE Annotated Anodyne Oc1nc(O)c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 ZINC000587017923 FE Annotated Anodyne N=c1[nH]cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)nc-2[nH]1 ZINC000587018799 FE Annotated Anodyne O=C(Nc1nc(Cc2nc3c(O)nc(O)nc3[nH]2)cs1)c1cccs1 ZINC000587019004 FE Annotated Anodyne O=C(Nc1nc(Cc2nc3cncnc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019034 FE Annotated Anodyne Nc1ncnc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 ZINC000587019145 FE Annotated Anodyne N=c1[nH]cc2nc(Cc3csc(NC(=O)c4cccs4)n3)nc-2[nH]1 ZINC000587019220 FE Annotated Anodyne Nc1nccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 ZINC000587019227 FE Annotated Anodyne Nc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cn1 ZINC000587019246 FE Annotated Anodyne O=C(Nc1nc(Cc2nc3c(O)ncnc3[nH]2)cs1)c1cccs1 ZINC000587019264 FE Annotated Anodyne O=C(Nc1nc(Cc2nc3cnnc(O)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019519 FE Annotated Anodyne O=C(Nc1nc(Cc2nc3cnncc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019535 FE Annotated Anodyne O=C(Nc1nc(Cc2nc3ncc[nH]c-3n2)cs1)c1cccc(O)c1 ZINC000587019569 FE Annotated Anodyne O=C(Nc1nc(Cc2nc3c(O)ncnc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019585 FE Annotated Anodyne O=C(Nc1nc(Cc2nc3cnnc(O)c3[nH]2)cs1)c1cccs1 ZINC000587019645 FE Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(O)nc(N)nc4[nH]3)c2)cs1 ZINC000587020329 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(O)nc(O)nc3[nH]2)cs1 ZINC000587020444 FE Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)s2)cn1 ZINC000587020949 FE Annotated Anodyne CC1=C(c2ccc3nc(-c4cnc([C@@H](C)O)s4)[nH]c3c2)NNC(=O)C1 ZINC000587022052 FE Annotated Anodyne CC1=C(c2ccc3nc(-c4cnc([C@H](C)O)s4)[nH]c3c2)NNC(=O)C1 ZINC000587022053 FE Annotated Anodyne Nc1nc(-c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)cs1 ZINC000587022149 FE Annotated Anodyne COc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cn1 ZINC000587023422 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(CO)cc3[nH]2)s1 ZINC000587023467 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(C(=N)N)cc3[nH]2)s1 ZINC000587023496 FE Annotated Anodyne COc1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2n1 ZINC000587023761 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cnc(Cl)[nH]c-3n2)s1 ZINC000587023825 FE Annotated Anodyne COc1nccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587023844 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)nc(O)nc3[nH]2)s1 ZINC000587023984 FE Annotated Anodyne O=C(CCc1nc2cnccc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024036 FE Annotated Anodyne O=C(CCc1nc2ccnc(O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024258 FE Annotated Anodyne COc1cncc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587024269 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(F)cnc3[nH]2)s1 ZINC000587024278 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Cl)ncnc3[nH]2)s1 ZINC000587024293 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3nc(Cl)c[nH]c-3n2)s1 ZINC000587024410 FE Annotated Anodyne O=C(CCc1nc2cccnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024481 FE Annotated Anodyne O=C1COc2cc3[nH]c(CSc4nnc(S)s4)nc3cc2N1 ZINC000587025003 FE Annotated Anodyne O=S(=O)(O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025758 FE Annotated Anodyne Nc1ccnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 ZINC000587026079 FE Annotated Anodyne Sc1nnc(SCc2nc3nc(Br)c[nH]c-3n2)s1 ZINC000587026271 FE Annotated Anodyne Cc1nc2[nH]c(CNC(=O)c3cscn3)nc2cc1Br ZINC000587027778 FE Annotated Anodyne Cc1c(Br)cnc2[nH]c(CNC(=O)c3cscn3)nc12 ZINC000587027856 FE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CNC(=O)c3cscn3)nc2c1 ZINC000587027955 FE Annotated Anodyne Cc1ncsc1CCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587028119 FE Annotated Anodyne O=C(NCc1nc2ccc(Br)c(O)c2[nH]1)c1cscn1 ZINC000587028478 FE Annotated Anodyne Cc1ncsc1CCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587028622 FE Annotated Anodyne O=C(NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1cscn1 ZINC000587028776 FE Annotated Anodyne O=C(NCc1nc2c(F)cnc(Br)c2[nH]1)c1cscn1 ZINC000587028827 FE Annotated Anodyne Cc1c(-c2nc3c(O)nc(S)nc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028931 FE Annotated Anodyne N[C@H](Cc1cscn1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587028974 FE Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(I)cnc2[nH]1 ZINC000587028990 FE Annotated Anodyne CC1=C(c2ccc3nc([C@H](N)Cc4cscn4)[nH]c3c2)NNC(=O)C1 ZINC000587029589 FE Annotated Anodyne Cc1c(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029733 FE Annotated Mild O=C1COc2cc3[nH]c(CNC(=O)c4cc5c(s4)CCC5)nc3cc2N1 ZINC000587033943 FE Annotated Anodyne O=C(NCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034360 FE Annotated Anodyne O=C(NCc1nc2c(S)nc(S)nc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034828 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc12 ZINC000587035319 FE Annotated Anodyne COC(=O)c1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cn1 ZINC000587035325 FE Annotated Anodyne COC(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2n1 ZINC000587035707 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(N)ccnc4[nH]3)cc12 ZINC000587037639 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(N)ccnc4[nH]3)cc12 ZINC000587037640 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(N)c(N)cc4[nH]3)cc12 ZINC000587037651 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(N)c(N)cc4[nH]3)cc12 ZINC000587037652 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(N)ncc4[nH]3)cc12 ZINC000587037654 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(N)ncc4[nH]3)cc12 ZINC000587037656 FE Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)C1=O ZINC000587037927 FE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)C1=O ZINC000587037928 FE Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccnc(N)c4[nH]3)cc12 ZINC000587037995 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccnc(N)c4[nH]3)cc12 ZINC000587037996 FE Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C1=O ZINC000587038403 FE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C1=O ZINC000587038406 FE Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587038502 FE Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)C1=O ZINC000587038510 FE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)C1=O ZINC000587038511 FE Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587039273 FE Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587039347 FE Annotated Mild CN(C)S(=O)(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039381 FE Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)C1=O ZINC000587039407 FE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)C1=O ZINC000587039408 FE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(CC(=O)OCC)cc3[nH]2)C1=O ZINC000587039477 FE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(CC(=O)OCC)cc3[nH]2)C1=O ZINC000587039484 FE Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(N)nc(Cl)c2[nH]1 ZINC000587039509 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccnc(O)c4[nH]3)cc12 ZINC000587039656 FE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccnc(O)c4[nH]3)cc12 ZINC000587039659 FE Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C1=O ZINC000587039797 FE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)C1=O ZINC000587039801 FE Annotated Mild CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnnc(O)c3[nH]2)cc1 ZINC000587040241 FE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnnc(O)c3[nH]2)cc1 ZINC000587040250 FE Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587040265 FE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(O)ncnc3[nH]2)cc1 ZINC000587040336 FE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(O)ncnc3[nH]2)cc1 ZINC000587040338 FE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000587040601 FE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000587040604 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040971 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040972 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040973 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587040974 FE Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587041579 FE Annotated Reactive CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587041581 FE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(N)ncnc3[nH]2)cc1 ZINC000587041588 FE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(N)ncnc3[nH]2)cc1 ZINC000587041589 FE Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000587042406 FE Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000587042413 FE Annotated Anodyne O=C1CSC[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)N1 ZINC000587042582 FE Annotated Clean O=C1CSC[C@@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)N1 ZINC000587042583 FE Annotated Clean c1ccc(C[C@@H]2N[C@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)CS2)cc1 ZINC000587042639 FE Annotated Anodyne c1ccc(C[C@@H]2N[C@@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)CS2)cc1 ZINC000587042640 FE Annotated Anodyne c1ccc(C[C@H]2N[C@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)CS2)cc1 ZINC000587042641 FE Annotated Anodyne c1ccc(C[C@H]2N[C@@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)CS2)cc1 ZINC000587042642 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042702 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042703 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042704 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587042705 FE Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587042928 FE Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587042929 FE Annotated Anodyne O=C1CSC[C@H](c2nc3cccc(I)c3[nH]2)N1 ZINC000587043234 FE Annotated Anodyne O=C1CSC[C@@H](c2nc3cccc(I)c3[nH]2)N1 ZINC000587043235 FE Annotated Anodyne NNC(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043273 FE Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043274 FE Annotated Reactive NNC(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043275 FE Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587043276 FE Annotated Reactive CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587043664 FE Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587043665 FE Annotated Anodyne O=C1CSC[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)N1 ZINC000587043888 FE Annotated Bother O=C1CSC[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)N1 ZINC000587043892 FE Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H]3CSCC(=O)N3)nc2c1 ZINC000587044201 FE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CSCC(=O)N3)nc2c1 ZINC000587044202 FE Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(I)cc3[nH]2)N1 ZINC000587044210 FE Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(I)cc3[nH]2)N1 ZINC000587044211 FE Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587044429 FE Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)N1 ZINC000587044593 FE Annotated Bother O=C1CSC[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)N1 ZINC000587044594 FE Annotated Bother COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Cl)c1O ZINC000587045953 FE Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587051961 FE Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587052555 FE Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587052568 FE Annotated Anodyne N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccccc1Cl ZINC000587057622 FE Annotated Anodyne N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccccc1Cl ZINC000587057637 FE Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587059497 FE Annotated Anodyne N#Cc1nc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2nc1C#N ZINC000587060559 FE Annotated Mild CCN1C(=O)C[C@@H](c2nc3c(O)nc(N)nc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061109 FE Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c[nH]c(=N)[nH]c-3n2)[C@@H]1c1ccccc1Cl ZINC000587061556 FE Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062674 FE Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587064923 FE Annotated Reactive CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1Cl ZINC000587065070 FE Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587065527 FE Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1Cl ZINC000587065728 FE Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587066850 FE Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587067423 FE Annotated Mild NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587069736 FE Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587069738 FE Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587070589 FE Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587070590 FE Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587071082 FE Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587071084 FE Annotated Anodyne Cc1c(-c2nc3c(O)nc(O)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073358 FE Annotated Anodyne Clc1ccc(-n2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)nn2)cc1 ZINC000587075927 FE Annotated Anodyne Oc1nc(O)c2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2n1 ZINC000587077240 FE Annotated Anodyne NNC(=O)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587077310 FE Annotated Reactive NNC(=O)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587077513 FE Annotated Reactive Cc1onc(-c2nc3nccc(N)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078741 FE Annotated Bother Cc1onc(-c2nc3ncc[nH]c-3n2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078986 FE Annotated Bother N#Cc1nc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2nc1C#N ZINC000587079961 FE Annotated Mild N#Cc1nc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2nc1C#N ZINC000587079970 FE Annotated Mild Cc1onc(-c2nc3cnc(N)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080216 FE Annotated Bother Cc1onc(-c2nc3c(N)nccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080356 FE Annotated Bother Cc1onc(-c2nc3ncncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080360 FE Annotated Bother Cc1onc(-c2nc3cnncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080553 FE Annotated Bother C[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc(Cl)cn1 ZINC000587081530 FE Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc(Cl)cn1 ZINC000587081531 FE Annotated Anodyne N#Cc1nc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2nc1C#N ZINC000587081626 FE Annotated Mild NNC(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 ZINC000587081938 FE Annotated Reactive Oc1nc(O)c2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2n1 ZINC000587082312 FE Annotated Anodyne C[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc(Cl)cn1 ZINC000587082523 FE Annotated Anodyne C[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc(Cl)cn1 ZINC000587082524 FE Annotated Anodyne Nc1nc(O)c2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2n1 ZINC000587082565 FE Annotated Anodyne Oc1nc(S)nc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587085323 FE Annotated Anodyne N=c1[nH]c2nc(C3CCN(c4nccnc4Cl)CC3)nc-2c(Cl)[nH]1 ZINC000587085478 FE Annotated Anodyne CC1=C(c2ccc3nc(-c4nc(Cl)cnc4N)[nH]c3c2)NNC(=O)C1 ZINC000587086381 FE Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587086780 FE Annotated Anodyne Oc1nc(S)nc2[nH]c(C(F)(Br)Br)nc12 ZINC000587086854 FE Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587086987 FE Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587086988 FE Annotated Reactive NNC(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587087218 FE Annotated Reactive CC(C)(F)[C@H](Br)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587087942 FE Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587087944 FE Annotated Reactive Nc1ncc(Cl)nc1-c1nc2cc(I)cnc2[nH]1 ZINC000587088507 FE Annotated Anodyne N=c1[nH]c2nc(C(F)(Br)Br)nc-2c(Cl)[nH]1 ZINC000587088561 FE Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncnc2[nH]1 ZINC000587089075 FE Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ncc[nH]c-2n1 ZINC000587089133 FE Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnncc2[nH]1 ZINC000587089277 FE Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(C(F)(F)c3ccccn3)[nH]c12 ZINC000587089765 FE Annotated Anodyne Nc1nc(O)c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587090538 FE Annotated Mild O=[N+]([O-])c1cc(-c2nc3ccc(CCO)cc3[nH]2)nn1CC(F)(F)F ZINC000587091323 FE Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)nn1CC(F)(F)F ZINC000587091674 FE Annotated Bother CCOc1ccccc1[C@](N)(c1nc2c(O)ncnc2[nH]1)C(F)(F)F ZINC000587091867 FE Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(O)ncnc2[nH]1)C(F)(F)F ZINC000587091868 FE Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(N)ncnc2[nH]1)C(F)(F)F ZINC000587091876 FE Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(N)ncnc2[nH]1)C(F)(F)F ZINC000587091877 FE Annotated Anodyne COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2n1 ZINC000587091953 FE Annotated Bother NS(=O)(=O)c1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 ZINC000587092022 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587092108 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 ZINC000587092116 FE Annotated Bother O=[N+]([O-])c1cncc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587092136 FE Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587092307 FE Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cnnc(O)c2[nH]1)C(F)(F)F ZINC000587092960 FE Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cnnc(O)c2[nH]1)C(F)(F)F ZINC000587092961 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 ZINC000587093188 FE Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(N)c(N)cc3[nH]2)C(F)(F)F)n1 ZINC000587093469 FE Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(N)c(N)cc3[nH]2)C(F)(F)F)n1 ZINC000587093473 FE Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(C(N)=O)cc3[nH]2)C(F)(F)F)n1 ZINC000587093526 FE Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(C(N)=O)cc3[nH]2)C(F)(F)F)n1 ZINC000587093527 FE Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2nc(Br)c[nH]c-2n1 ZINC000587093811 FE Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2nc(Br)c[nH]c-2n1 ZINC000587093812 FE Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2cc1OC ZINC000587094218 FE Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2cc1OC ZINC000587094219 FE Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccc(C(N)=O)c3[nH]2)C(F)(F)F)n1 ZINC000587094238 FE Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cccc(C(N)=O)c3[nH]2)C(F)(F)F)n1 ZINC000587094239 FE Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1OC ZINC000587094242 FE Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1OC ZINC000587094243 FE Annotated Anodyne Nc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095486 FE Annotated Anodyne Cc1ccc2c3c(c(C[C@H](N)C(=O)O)c(C=[N+]=[N-])nc13)-c1ccccc1C2=O ZINC000587096451 FE Annotated Clean [N-]=[N+]=Cc1nc2cccc3c2c(c1C[C@H](N)C(=O)O)-c1ccccc1C3=O ZINC000587104748 FE Annotated Clean O=C1c2ccccc2-c2cc(CN3C(=O)COCC3=O)nc3cccc1c23 ZINC000587104806 FE Annotated Anodyne N#Cc1nc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2nc1C#N ZINC000587108572 FE Annotated Mild N#Cc1nc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2nc1C#N ZINC000587109738 FE Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000587110034 FE Annotated Bother NNC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111705 FE Annotated Reactive CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnnc(O)c2[nH]1 ZINC000587112039 FE Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnnc(O)c2[nH]1 ZINC000587112042 FE Annotated Anodyne Nc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cn1 ZINC000587112586 FE Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587113117 FE Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587113125 FE Annotated Anodyne Nc1ccnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587113316 FE Annotated Anodyne Nc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1N ZINC000587113482 FE Annotated Anodyne Nc1nccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587113795 FE Annotated Anodyne Oc1nccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587113837 FE Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)ncnc2[nH]1 ZINC000587114165 FE Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(O)ncnc2[nH]1 ZINC000587114166 FE Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)ncnc2[nH]1 ZINC000587114204 FE Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)ncnc2[nH]1 ZINC000587114218 FE Annotated Anodyne N#Cc1nc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2nc1C#N ZINC000587114593 FE Annotated Mild Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587115944 FE Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587116655 FE Annotated Mild Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Cl)ncnc2[nH]1 ZINC000587116658 FE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587116677 FE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(N)c(N)cc2[nH]1 ZINC000587116682 FE Annotated Bother COc1nccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 ZINC000587116845 FE Annotated Bother Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587116930 FE Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587117209 FE Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000587117337 FE Annotated Bother COc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2n1 ZINC000587117359 FE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C(N)=O)c2[nH]1 ZINC000587117433 FE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000587117904 FE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587118118 FE Annotated Bother COc1cncc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 ZINC000587118567 FE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587118678 FE Annotated Bother NNC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587118877 FE Annotated Reactive COc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cn1 ZINC000587119012 FE Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c12 ZINC000587119013 FE Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587119111 FE Annotated Bother N#Cc1nc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2nc1C#N ZINC000587119256 FE Annotated Mild Oc1nc(S)nc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 ZINC000587119343 FE Annotated Anodyne N#Cc1nc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2nc1C#N ZINC000587120037 FE Annotated Mild Oc1nc(S)nc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 ZINC000587120268 FE Annotated Anodyne Oc1nc(O)c2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2n1 ZINC000587120897 FE Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2N1 ZINC000587124022 FE Annotated Mild C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2N1 ZINC000587124025 FE Annotated Mild C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2N1 ZINC000587124026 FE Annotated Mild C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2N1 ZINC000587124027 FE Annotated Mild Cc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124196 FE Annotated Anodyne Cc1cc(-c2nc3nc(N)ncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124236 FE Annotated Anodyne Cc1cc(-c2nc3c(O)ncnc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125442 FE Annotated Anodyne Cc1cc(-c2nc3c(O)nncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126219 FE Annotated Anodyne COc1nccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587126411 FE Annotated Anodyne COc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cn1 ZINC000587126691 FE Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2ncnc(Cl)c2[nH]1)C(F)(F)F ZINC000587126695 FE Annotated Anodyne COc1cncc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587127212 FE Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cnc(Cl)[nH]c-2n1)C(F)(F)F ZINC000587127216 FE Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587127238 FE Annotated Bother NS(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587127250 FE Annotated Anodyne OC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127347 FE Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 ZINC000587127370 FE Annotated Bother O=S(=O)(c1ncccc1-c1nc2cc(CO)ccc2[nH]1)C(F)(F)F ZINC000587127374 FE Annotated Anodyne COc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2n1 ZINC000587127391 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 ZINC000587127449 FE Annotated Anodyne Nc1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1N ZINC000587127559 FE Annotated Anodyne N#Cc1nc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc-2[nH]c1C#N ZINC000587127584 FE Annotated Mild Oc1nc(O)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2n1 ZINC000587127596 FE Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(CCO)ccc2[nH]1)C(F)(F)F ZINC000587127614 FE Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2nc(Cl)c[nH]c-2n1)C(F)(F)F ZINC000587127616 FE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccnc2[nH]1 ZINC000587127728 FE Annotated Anodyne FC(F)c1c(-c2nc3nc(Br)c[nH]c-3n2)cnc2ncnn12 ZINC000587127847 FE Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587128104 FE Annotated Anodyne O=C1CCc2cc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3cc2N1 ZINC000587128167 FE Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1OC ZINC000587128485 FE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnccc2[nH]1 ZINC000587128584 FE Annotated Anodyne FC(F)c1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cnc2ncnn12 ZINC000587128900 FE Annotated Anodyne Cn1nnc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1C(F)F ZINC000587129227 FE Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1OC ZINC000587129380 FE Annotated Anodyne CC1=C(c2ccc3nc(-c4nnn(C)c4C(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587129503 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc12 ZINC000587131285 FE Annotated Anodyne COC(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2n1 ZINC000587131787 FE Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC(F)(F)C1 ZINC000587131891 FE Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC(F)(F)C1 ZINC000587131911 FE Annotated Anodyne COC(=O)c1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cn1 ZINC000587132009 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C(F)(F)C1 ZINC000587132013 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)C(F)(F)C1 ZINC000587132014 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(O)nc(S)nc3[nH]2)C(F)(F)C1 ZINC000587132425 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(O)nc(S)nc3[nH]2)C(F)(F)C1 ZINC000587132429 FE Annotated Anodyne COc1c(F)ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1N ZINC000587133612 FE Annotated Anodyne Cc1cc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c(C)n1 ZINC000587133800 FE Annotated Anodyne Cc1nccc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 ZINC000587133838 FE Annotated Anodyne COc1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134002 FE Annotated Anodyne COc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134053 FE Annotated Anodyne N#Cc1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134311 FE Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 ZINC000587134314 FE Annotated Anodyne O=S(=O)(NCc1nc2ccc(O)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134335 FE Annotated Anodyne N#Cc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134621 FE Annotated Mild O=S(=O)(NCc1nc2cccc(O)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134954 FE Annotated Anodyne Cc1cncc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587135567 FE Annotated Anodyne Cc1ccnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 ZINC000587135628 FE Annotated Anodyne Cc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2n1 ZINC000587135894 FE Annotated Anodyne Cc1cnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587135895 FE Annotated Anodyne Cc1cc(N(C)Cc2nc3nc(C#N)c(C#N)nc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136178 FE Annotated Mild Cc1cc(N(C)Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c([N+](=O)[O-])cc1F ZINC000587136999 FE Annotated Bother Cc1cc(N(C)Cc2nc3ccc(C(=O)NN)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137015 FE Annotated Reactive CC1=C(c2ccc3nc(-c4cc(N)c(N)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587137178 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 ZINC000587137324 FE Annotated Anodyne Cc1cc(N(C)Cc2nc3c(O)nc(S)nc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137366 FE Annotated Bother NS(=O)(=O)c1cccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 ZINC000587138812 FE Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587139120 FE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587141770 FE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000587142134 FE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587142140 FE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587142146 FE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587142268 FE Annotated Anodyne Nc1ncnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 ZINC000587144057 FE Annotated Anodyne Nc1ncnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 ZINC000587144059 FE Annotated Anodyne N[C@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1F ZINC000587144513 FE Annotated Anodyne N[C@@H](Cc1nc2cnnc(O)c2[nH]1)c1ccc(Br)cc1F ZINC000587144515 FE Annotated Anodyne N[C@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1F ZINC000587144678 FE Annotated Anodyne N[C@@H](Cc1nc2c(O)ncnc2[nH]1)c1ccc(Br)cc1F ZINC000587144679 FE Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F ZINC000587148869 FE Annotated Bother CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c12 ZINC000587148947 FE Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1F ZINC000587149302 FE Annotated Bother Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(C#N)c(C#N)[nH]c-2n1 ZINC000587149683 FE Annotated Mild NC(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587150810 FE Annotated Anodyne NC(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587150811 FE Annotated Anodyne CCCc1nc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)nn1-c1ccccc1F ZINC000587154235 FE Annotated Mild Cn1nc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(F)c1O ZINC000587154266 FE Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3nn(C)c(O)c3F)nc2c1 ZINC000587154283 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c12 ZINC000587154877 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 ZINC000587154878 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c12 ZINC000587154879 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 ZINC000587154880 FE Annotated Anodyne Cn1nc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(F)c1O ZINC000587154966 FE Annotated Anodyne Cn1nc(-c2nc3ccc(I)cc3[nH]2)c(F)c1O ZINC000587155476 FE Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3ccc(F)c(Br)n3)nc12 ZINC000587155858 FE Annotated Anodyne Cn1nc(-c2nc3cccc(I)c3[nH]2)c(F)c1O ZINC000587155869 FE Annotated Anodyne C[C@@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156109 FE Annotated Anodyne C[C@]1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156110 FE Annotated Anodyne CCCc1nc(-c2nc3c(O)nc(O)nc3[nH]2)nn1-c1ccccc1F ZINC000587156243 FE Annotated Anodyne COc1cc(-c2nc3c(O)nc(S)nc3[nH]2)nn1-c1ccccc1F ZINC000587156463 FE Annotated Anodyne Cn1nc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(F)c1O ZINC000587156777 FE Annotated Bother COc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)nn1-c1ccccc1F ZINC000587156823 FE Annotated Anodyne C[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157860 FE Annotated Reactive C[C@@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157861 FE Annotated Reactive C[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157878 FE Annotated Anodyne C[C@@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157884 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ncc(Br)cc3F)[nH]c12 ZINC000587158473 FE Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587158852 FE Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587159492 FE Annotated Bother O=C1CC=C(c2nc3cnc(Cl)[nH]c-3n2)NN1Cc1ccc(F)cc1 ZINC000587162365 FE Annotated Anodyne COc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cn1 ZINC000587162404 FE Annotated Anodyne COc1cncc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587162442 FE Annotated Anodyne O=C1CC=C(c2nc3ccc(CO)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162535 FE Annotated Anodyne O=C1CC=C(c2nc3nc(Cl)c[nH]c-3n2)NN1Cc1ccc(F)cc1 ZINC000587162830 FE Annotated Anodyne COc1nccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587163792 FE Annotated Anodyne COc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2n1 ZINC000587164146 FE Annotated Anodyne O=C1CC=C(c2nc3c(Cl)ncnc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164388 FE Annotated Anodyne O=C1CC=C(c2nc3cc([N+](=O)[O-])cnc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164629 FE Annotated Bother Nc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1N ZINC000587164636 FE Annotated Anodyne O=C1CC=C(c2nc3cncc([N+](=O)[O-])c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164772 FE Annotated Bother NNC(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 ZINC000587165162 FE Annotated Reactive NS(=O)(=O)c1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 ZINC000587165376 FE Annotated Anodyne Oc1nc(O)c2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2n1 ZINC000587167776 FE Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587168054 FE Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 ZINC000587168057 FE Annotated Anodyne N#Cc1nc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2nc1C#N ZINC000587169081 FE Annotated Mild CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169641 FE Annotated Bother CN(Cc1nc2cc3cn[nH]c3cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169671 FE Annotated Anodyne CN(Cc1nc2ccc(CCO)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169699 FE Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCO3)S(=O)(=O)c1ccc(F)cc1 ZINC000587170928 FE Annotated Anodyne O=S(=O)(O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171088 FE Annotated Anodyne CN(Cc1nc2cccc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171361 FE Annotated Anodyne CN(Cc1nc2cc(C#N)c(C#N)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171401 FE Annotated Mild O=C1COc2cc3[nH]c(Cc4cc(F)cc5c4OCOC5)nc3cc2N1 ZINC000587171621 FE Annotated Anodyne Fc1cc2c(c(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c1)OCOC2 ZINC000587171846 FE Annotated Anodyne N=c1[nH]cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc-2[nH]1 ZINC000587172741 FE Annotated Anodyne O=c1c(-c2nc3c(O)nc(O)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172935 FE Annotated Anodyne Nc1nc(O)c2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2n1 ZINC000587173213 FE Annotated Anodyne C[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174741 FE Annotated Anodyne C[C@@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174746 FE Annotated Anodyne COc1ncc(F)cc1-c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 ZINC000587175471 FE Annotated Anodyne Nc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cnc2c(F)cccc12 ZINC000587175979 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 ZINC000587177421 FE Annotated Anodyne Fc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177573 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177764 FE Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(Br)cnc3F)[nH]c12 ZINC000587178108 FE Annotated Anodyne N=c1[nH]c2nc(-c3cc(S(=O)(=O)F)ccc3Cl)nc-2c(Cl)[nH]1 ZINC000587178237 FE Annotated Unstable COc1cc(N)c(I)cc1-c1nc2cnncc2[nH]1 ZINC000587178722 FE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cncnc2[nH]1 ZINC000587178779 FE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ncc[nH]c-2n1 ZINC000587178786 FE Annotated Anodyne COc1ccc(-c2nc3c(O)ncnc3[nH]2)c(I)c1 ZINC000587179645 FE Annotated Anodyne N#Cc1nc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2nc1C#N ZINC000587180062 FE Annotated Unstable COc1ccc(-c2nc3cnnc(O)c3[nH]2)c(I)c1 ZINC000587180155 FE Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587181087 FE Annotated Unstable Oc1nc(O)c(I)c(-c2nc3cccc(F)c3[nH]2)n1 ZINC000587181779 FE Annotated Anodyne Cc1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587181892 FE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(N)ncc2[nH]1 ZINC000587181899 FE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(N)ncc2[nH]1 ZINC000587181900 FE Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(I)ccc3F)nc12 ZINC000587182066 FE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(F)cc3[nH]2)n1 ZINC000587182118 FE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cnncc2[nH]1 ZINC000587182121 FE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cnncc2[nH]1 ZINC000587182122 FE Annotated Anodyne Cc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587182146 FE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ncc[nH]c-2n1 ZINC000587182157 FE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ncc[nH]c-2n1 ZINC000587182159 FE Annotated Anodyne Oc1nncc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587182235 FE Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(I)ccc3F)nc12 ZINC000587182257 FE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccnc(N)c2[nH]1 ZINC000587182285 FE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccnc(N)c2[nH]1 ZINC000587182286 FE Annotated Anodyne Oc1nc(O)c2nc(-c3cc(I)ccc3F)[nH]c2n1 ZINC000587182557 FE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(N)ccnc2[nH]1 ZINC000587182791 FE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(N)ccnc2[nH]1 ZINC000587182792 FE Annotated Anodyne N=c1[nH]cc2nc(-c3cc(I)ccc3F)nc-2[nH]1 ZINC000587182985 FE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cncnc2[nH]1 ZINC000587183337 FE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cncnc2[nH]1 ZINC000587183338 FE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccnc(O)c2[nH]1 ZINC000587183440 FE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccnc(O)c2[nH]1 ZINC000587183441 FE Annotated Anodyne N=c1[nH]cc2nc(/C=C\c3cccc(I)c3)nc-2[nH]1 ZINC000587183474 FE Annotated Anodyne N=c1[nH]cc2nc(/C=C/c3cccc(I)c3)nc-2[nH]1 ZINC000587183476 FE Annotated Anodyne CC[C@H](c1nc2cnncc2[nH]1)n1cc(I)c(C)n1 ZINC000587184041 FE Annotated Anodyne CC[C@@H](c1nc2cnncc2[nH]1)n1cc(I)c(C)n1 ZINC000587184042 FE Annotated Anodyne O=C(O)c1nn(Cc2nc3ccccc3[nH]2)cc1I ZINC000587184529 FE Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587185004 FE Annotated Anodyne N=c1[nH]c2nc(-c3cncc(I)c3)nc-2c(Cl)[nH]1 ZINC000587185280 FE Annotated Anodyne Nc1cc2nc(-c3cncc(I)c3)[nH]c2cc1N ZINC000587185394 FE Annotated Anodyne CC[C@@H](c1nc2cncnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185506 FE Annotated Anodyne CC[C@H](c1nc2cncnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185627 FE Annotated Anodyne COc1nccc2nc(-c3nccnc3I)[nH]c12 ZINC000587185998 FE Annotated Anodyne CC[C@H](c1nc2ncc[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587186077 FE Annotated Anodyne CC[C@@H](c1nc2ncc[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587186080 FE Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ncc[nH]c-2n1 ZINC000587186199 FE Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ncc[nH]c-2n1 ZINC000587186205 FE Annotated Anodyne O=C(O)c1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186274 FE Annotated Anodyne COc1cncc2nc(-c3nccnc3I)[nH]c12 ZINC000587186374 FE Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cnncc2[nH]1 ZINC000587186533 FE Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cnncc2[nH]1 ZINC000587186534 FE Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cncnc2[nH]1 ZINC000587186603 FE Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cncnc2[nH]1 ZINC000587186604 FE Annotated Anodyne Clc1c[nH]c2nc(-c3nccnc3I)nc-2n1 ZINC000587186669 FE Annotated Anodyne N#Cc1cc2nc(-c3nccnc3I)[nH]c2cc1C#N ZINC000587186671 FE Annotated Mild COc1ccc2nc(-c3nccnc3I)[nH]c2n1 ZINC000587186696 FE Annotated Anodyne Ic1nccnc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587186706 FE Annotated Anodyne OCCc1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186736 FE Annotated Anodyne COc1cc2nc(-c3nccnc3I)[nH]c2cn1 ZINC000587186778 FE Annotated Anodyne OCc1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186825 FE Annotated Anodyne Clc1ncnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186843 FE Annotated Anodyne Clc1ncc2nc(-c3nccnc3I)nc-2[nH]1 ZINC000587186849 FE Annotated Anodyne Ic1cnc2ccc(-c3nc4cncnc4[nH]3)cn12 ZINC000587187314 FE Annotated Anodyne Ic1cnc2ccc(-c3nc4cnncc4[nH]3)cn12 ZINC000587188200 FE Annotated Anodyne Ic1cnc2ccc(-c3nc4ncc[nH]c-4n3)cn12 ZINC000587188739 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(COc3ccc(C#N)cc3)[nH]c2c1 ZINC000587189279 FE Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587189513 FE Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587189518 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587190256 FE Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(COc3ccc(C#N)cc3)[nH]c12 ZINC000587191185 FE Annotated Mild COc1cncc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587193181 FE Annotated Anodyne O=C(O)CCN(CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)Cc1ccccc1 ZINC000587193367 FE Annotated Bother O=C(O)CCN(CCc1nc2cncc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000587193410 FE Annotated Bother COc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2n1 ZINC000587193538 FE Annotated Anodyne NC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 ZINC000587193773 FE Annotated Anodyne COc1nccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587193789 FE Annotated Anodyne COc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cn1 ZINC000587193795 FE Annotated Anodyne Nc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1N ZINC000587193838 FE Annotated Anodyne O=C(O)CCN(CCc1nc2nc(Cl)c[nH]c-2n1)Cc1ccccc1 ZINC000587193879 FE Annotated Anodyne O=C(O)CCN(CCc1nc2cnc(Cl)[nH]c-2n1)Cc1ccccc1 ZINC000587193980 FE Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587194404 FE Annotated Bother CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587194405 FE Annotated Bother Cc1nc(N(C)C)ncc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587195116 FE Annotated Anodyne CC1=C(c2ccc3nc(-c4cnc(N(C)C)nc4C)[nH]c3c2)NNC(=O)C1 ZINC000587196523 FE Annotated Anodyne CN(C)C(=O)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587197088 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CC(=O)N(C)C)nc2c1 ZINC000587197209 FE Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(N)ncnc2[nH]1 ZINC000587198040 FE Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587198816 FE Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587200962 FE Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587201535 FE Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c32)n1 ZINC000587202035 FE Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c32)n1 ZINC000587202036 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587202041 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587202042 FE Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(N)ncnc3[nH]2)c1 ZINC000587202212 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587202313 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587202314 FE Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 ZINC000587202761 FE Annotated Anodyne C=C(NC(C)=O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587203283 FE Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000587203333 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(Br)c2[nH]1 ZINC000587203891 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(Br)c2[nH]1 ZINC000587203892 FE Annotated Anodyne COc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Cl ZINC000587203938 FE Annotated Anodyne COc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Cl ZINC000587203941 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587204284 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587204285 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587204320 FE Annotated Bother CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587204321 FE Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587204342 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587204343 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)cc2[nH]1 ZINC000587204718 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)cc2[nH]1 ZINC000587204719 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587204870 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587204871 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587204920 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587204921 FE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587205138 FE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587205139 FE Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)c1cc2c3c(cccc3n1)CC2 ZINC000587212548 FE Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2n1 ZINC000587216447 FE Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2n1 ZINC000587216450 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](NC(C)=O)c3ccc(C)cc3)nc12 ZINC000587216497 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@@H](NC(C)=O)c3ccc(C)cc3)nc12 ZINC000587216498 FE Annotated Anodyne CCOC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000587216610 FE Annotated Anodyne CCOC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000587216611 FE Annotated Anodyne CCOC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000587216612 FE Annotated Anodyne CCOC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000587216613 FE Annotated Anodyne O=C(O)CNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587216646 FE Annotated Anodyne O=C(O)CNS(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 ZINC000587216651 FE Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cn1 ZINC000587216822 FE Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cn1 ZINC000587216823 FE Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(C)cc1 ZINC000587217757 FE Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(C)cc1 ZINC000587217761 FE Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(I)cnc2[nH]1 ZINC000587220991 FE Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(I)cnc2[nH]1 ZINC000587220994 FE Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587222391 FE Annotated Anodyne CN[C@H](c1cccnc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587222392 FE Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)c1ccccc1 ZINC000587222412 FE Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)c1ccccc1 ZINC000587222414 FE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587223755 FE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587223756 FE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587223763 FE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587223765 FE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587223845 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](NC)c3cccnc3)[nH]c2c1 ZINC000587224165 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](NC)c3cccnc3)[nH]c2c1 ZINC000587224173 FE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587224219 FE Annotated Anodyne COC(=O)c1cccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 ZINC000587224459 FE Annotated Anodyne COC(=O)c1cccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 ZINC000587224477 FE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587225108 FE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587225109 FE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccnc(Cl)c2[nH]1 ZINC000587226325 FE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587226397 FE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587226402 FE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587226403 FE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587226423 FE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587226460 FE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587226463 FE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587226540 FE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587226550 FE Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587226552 FE Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587226554 FE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cncc(Cl)c2[nH]1 ZINC000587226657 FE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Cl)cnc2[nH]1 ZINC000587227052 FE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccnc(O)c3[nH]2)cc1 ZINC000587227963 FE Annotated Anodyne O=C1COc2cc3[nH]c(CCNC(=O)OCc4ccccc4)nc3cc2N1 ZINC000587228081 FE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccnc(OC)c3[nH]2)cc1 ZINC000587228123 FE Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587228925 FE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OC)ncc3[nH]2)cc1 ZINC000587228940 FE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(N)ccnc3[nH]2)cc1 ZINC000587229036 FE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(OC)nc3[nH]2)cc1 ZINC000587229055 FE Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000587229168 FE Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587230012 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587230013 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587230014 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587230015 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587230016 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587230017 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587230018 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587230019 FE Annotated Anodyne CCNC(=O)CCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587230113 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587230575 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587230576 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587230577 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587230578 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587231010 FE Annotated Mild COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587231011 FE Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587231012 FE Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587231013 FE Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587231288 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587231290 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587231292 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587231293 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587231336 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587231337 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587231338 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587231339 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587232041 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587232042 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587232043 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587232044 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587232098 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587232099 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587232100 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587232101 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587232240 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587232241 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587232242 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587232243 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587232490 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587232491 FE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587232492 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587232493 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587232583 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587232584 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587232585 FE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587232586 FE Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587232972 FE Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587233066 FE Annotated Reactive CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587233646 FE Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587234020 FE Annotated Mild CC(=O)NC1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CCC(C)CC1 ZINC000587234508 FE Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587235317 FE Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587235318 FE Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587235319 FE Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587235320 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3C(=O)NC)nc2c1 ZINC000587235627 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3C(=O)NC)nc2c1 ZINC000587235632 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3C(=O)NC)nc2c1 ZINC000587235633 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3C(=O)NC)nc2c1 ZINC000587235634 FE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(N)c(N)cc3[nH]2)CCC(O)CC1 ZINC000587237249 FE Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587238505 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000587241438 FE Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000587241451 FE Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587242190 FE Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 ZINC000587242854 FE Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cnnc(O)c3[nH]2)cc1 ZINC000587244751 FE Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(O)ncnc3[nH]2)cc1 ZINC000587244864 FE Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cn1 ZINC000587245133 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c12 ZINC000587245345 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c12 ZINC000587245347 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1 ZINC000587245407 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c1 ZINC000587245408 FE Annotated Anodyne NCCOCCOCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587245646 FE Annotated Anodyne NCCOCCOCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587245726 FE Annotated Anodyne NCCOCCOCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587245791 FE Annotated Bother Cc1c(Br)cc2nc(CCOCCOCCN)[nH]c2c1C ZINC000587245912 FE Annotated Anodyne N[C@@]1(c2nc3c(Br)cnc(Br)c3[nH]2)CCOC1 ZINC000587245992 FE Annotated Anodyne N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)CCOC1 ZINC000587245993 FE Annotated Anodyne NCCOCCOCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587246088 FE Annotated Clean NCCOCCOCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587246217 FE Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3nc(Br)c[nH]c-3n1)C2 ZINC000587246305 FE Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3nc(Br)c[nH]c-3n1)C2 ZINC000587246306 FE Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(S)nc(S)nc3[nH]1)C2 ZINC000587246583 FE Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(S)nc(S)nc3[nH]1)C2 ZINC000587246586 FE Annotated Anodyne COC(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2n1 ZINC000587246907 FE Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2n1 ZINC000587246909 FE Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)OCC(=O)N4)C2 ZINC000587247003 FE Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)OCC(=O)N4)C2 ZINC000587247005 FE Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)O)cc3[nH]1)C2 ZINC000587247479 FE Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)O)cc3[nH]1)C2 ZINC000587247482 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]3(N)CCc4cc(OC)ccc4C3)nc12 ZINC000587247585 FE Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@]3(N)CCc4cc(OC)ccc4C3)nc12 ZINC000587247586 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(N)CCOC3)nc2c1 ZINC000587247602 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(N)CCOC3)nc2c1 ZINC000587247603 FE Annotated Anodyne COC(=O)c1cc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cn1 ZINC000587247705 FE Annotated Anodyne COC(=O)c1cc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cn1 ZINC000587247707 FE Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587249405 FE Annotated Anodyne Cc1ccc(CCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1N ZINC000587249474 FE Annotated Anodyne CC1=C(c2ccc3nc(-c4c(N)cccc4C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587249751 FE Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1OC ZINC000587249884 FE Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587250395 FE Annotated Bother COC(=O)c1cc2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2cc1OC ZINC000587250669 FE Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1OC ZINC000587250820 FE Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc(N)c4C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587250826 FE Annotated Anodyne Nc1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1C(=O)O ZINC000587250854 FE Annotated Anodyne Cc1ccc(CCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1N ZINC000587250963 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 ZINC000587251977 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 ZINC000587252024 FE Annotated Anodyne Nc1cnc(-c2nc3c(Cl)ncc(I)c3[nH]2)nc1 ZINC000587252883 FE Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)=C1N ZINC000587253486 FE Annotated Anodyne Nc1ncccc1Cc1nc2cc(I)cnc2[nH]1 ZINC000587253997 FE Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cn1 ZINC000587254046 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cccnc3N)[nH]c2c1 ZINC000587254314 FE Annotated Anodyne Nc1ncccc1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587254334 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(N)nc4ccccc34)[nH]c12 ZINC000587254440 FE Annotated Anodyne COc1cncc(N)c1-c1nc2ncc(I)cc2[nH]1 ZINC000587254722 FE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3cccnc3N)[nH]c2c1 ZINC000587254761 FE Annotated Anodyne CC1(C)OC(=O)C(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)=C1N ZINC000587254797 FE Annotated Bother Nc1ncc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cn1 ZINC000587254854 FE Annotated Anodyne Nc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cn1 ZINC000587254923 FE Annotated Anodyne COc1cncc(N)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587254934 FE Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)cn1 ZINC000587255024 FE Annotated Anodyne CC1(C)OC(=O)C(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)=C1N ZINC000587255063 FE Annotated Clean CC1(C)OC(=O)C(c2nc3cccc(I)c3[nH]2)=C1N ZINC000587255082 FE Annotated Anodyne CC1(C)OC(=O)C(c2nc3ccc(I)cc3[nH]2)=C1N ZINC000587255169 FE Annotated Anodyne CC1(C)OC(=O)C(c2nc3c(Br)cnc(Cl)c3[nH]2)=C1N ZINC000587255215 FE Annotated Anodyne N[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)C1COC1 ZINC000587255320 FE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)C3COC3)nc2c1 ZINC000587255471 FE Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)=C1N ZINC000587255569 FE Annotated Bother NC1CC(Cc2nc3c(I)cnc(Cl)c3[nH]2)C1 ZINC000587255614 FE Annotated Anodyne CC1(C)OC(=O)C(c2nc3c(Cl)c(Br)cnc3[nH]2)=C1N ZINC000587255724 FE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccnc(Br)c2[nH]1 ZINC000587256087 FE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)cnc2[nH]1 ZINC000587256197 FE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cncc(Br)c2[nH]1 ZINC000587256280 FE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587256314 FE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587256582 FE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)ncc2[nH]1 ZINC000587256670 FE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(Br)ccnc2[nH]1 ZINC000587256674 FE Annotated Anodyne CCOC(=O)Cc1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587256675 FE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)nc2[nH]1 ZINC000587256759 FE Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587258292 FE Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587258363 FE Annotated Bother COC(=O)CC[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587258377 FE Annotated Bother COC(=O)CC[C@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587258740 FE Annotated Clean N=c1[nH]cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc-2[nH]1 ZINC000587258810 FE Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587258900 FE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2c1 ZINC000587259068 FE Annotated Anodyne C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)ccnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587259238 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)ccnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587259244 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)ccnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587259247 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)ccnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587259249 FE Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000587259272 FE Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587259339 FE Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(I)cc2[nH]1 ZINC000587259387 FE Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc12 ZINC000587259407 FE Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587259654 FE Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587259665 FE Annotated Clean NC(=O)c1cccc(C[C@H](N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 ZINC000587259710 FE Annotated Bother NC(=O)NCCC[C@H](N)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587259863 FE Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587260006 FE Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587260096 FE Annotated Anodyne Cc1c(Br)cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c1C ZINC000587260152 FE Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cncc(Br)c3[nH]2)c1 ZINC000587260465 FE Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cccc(I)c2[nH]1 ZINC000587260510 FE Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2c1 ZINC000587260547 FE Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2n1 ZINC000587260746 FE Annotated Bother COc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260844 FE Annotated Bother COc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(OC)c([N+](=O)[O-])c1 ZINC000587261068 FE Annotated Bother COC(=O)c1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cn1 ZINC000587261188 FE Annotated Bother COC(=O)c1ccnc2[nH]c(-c3cc(OC)cc([N+](=O)[O-])c3OC)nc12 ZINC000587261218 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261354 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261355 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261356 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261357 FE Annotated Bother COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cn1 ZINC000587261375 FE Annotated Bother COC(=O)c1cccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587261384 FE Annotated Mild O=CC(C=O)c1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261475 FE Annotated Mild COCCNc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1[N+](=O)[O-] ZINC000587261488 FE Annotated Bother CCOC(=O)Cc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261617 FE Annotated Bother CCOC(=O)Cc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261624 FE Annotated Bother CCOC(=O)Cc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261625 FE Annotated Bother CCOC(=O)Cc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261626 FE Annotated Bother N[C@@H](N=O)c1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587261671 FE Annotated Mild N[C@H](N=O)c1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587261672 FE Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1[N+](=O)[O-] ZINC000587261700 FE Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=O)NN)cc3[nH]2)c1 ZINC000587261914 FE Annotated Reactive COC(=O)c1ccnc2[nH]c(COc3ccc([N+](=O)[O-])c(OC)c3)nc12 ZINC000587262011 FE Annotated Bother COc1cc(OCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1[N+](=O)[O-] ZINC000587262017 FE Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262037 FE Annotated Mild COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2n1 ZINC000587262070 FE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cnnc(O)c2[nH]1 ZINC000587262188 FE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cnnc(O)c2[nH]1 ZINC000587262189 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@@H]1C[N+](=O)[O-] ZINC000587262234 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@H]1C[N+](=O)[O-] ZINC000587262235 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@H]1C[N+](=O)[O-] ZINC000587262236 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)[C@@H]1C[N+](=O)[O-] ZINC000587262237 FE Annotated Bother COc1cc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262252 FE Annotated Bother Cc1cc(C#Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262336 FE Annotated Mild COc1cc(OCc2nc3c(S)nc(S)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262543 FE Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262595 FE Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1[N+](=O)[O-] ZINC000587262760 FE Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H]1C[N+](=O)[O-] ZINC000587263022 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H]1C[N+](=O)[O-] ZINC000587263023 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)[C@H]1C[N+](=O)[O-] ZINC000587263024 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)[C@H]1C[N+](=O)[O-] ZINC000587263025 FE Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587263114 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263378 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263379 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263380 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263381 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccnc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263423 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccnc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263425 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccnc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263427 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccnc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263429 FE Annotated Bother COC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587263482 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263682 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263683 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263684 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(OCCN(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263685 FE Annotated Bother CCOC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587263788 FE Annotated Bother CCOC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587263794 FE Annotated Bother CCOC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587263795 FE Annotated Bother CCOC(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587263802 FE Annotated Bother COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1OC ZINC000587263840 FE Annotated Bother COC(=O)c1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587263841 FE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(O)ncnc2[nH]1 ZINC000587263946 FE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(O)ncnc2[nH]1 ZINC000587263948 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264011 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264012 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264013 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264014 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587264228 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587264284 FE Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)c([N+](=O)[O-])c1 ZINC000587264339 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587264621 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587264622 FE Annotated Bother COCCOc1ccc(-c2nc3ccc(C(=O)OC)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587264718 FE Annotated Bother COCCOc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587264733 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587264783 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587264822 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cncc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264860 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264861 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cncc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264862 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cncc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264863 FE Annotated Bother COCCNc1ccc(-c2nc3ccc(C(=O)OC)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587265249 FE Annotated Bother O=C1COc2cc3[nH]c(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc3cc2N1 ZINC000587265480 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587265551 FE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(N)ncnc2[nH]1 ZINC000587265621 FE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(N)ncnc2[nH]1 ZINC000587265623 FE Annotated Bother COCCNc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587265687 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587265824 FE Annotated Bother COCCOc1ccc(-c2nc3c(C(=O)OC)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000587265901 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)ncc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265984 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265986 FE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265989 FE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)ncc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265991 FE Annotated Bother N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587266033 FE Annotated Mild COCCNc1ccc(-c2nc3c(C(=O)OC)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000587266040 FE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 ZINC000587266060 FE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 ZINC000587266062 FE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 ZINC000587266064 FE Annotated Bother COc1cc(OC)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000587266100 FE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 ZINC000587266117 FE Annotated Bother CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587266423 FE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587266447 FE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 ZINC000587266781 FE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 ZINC000587266783 FE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 ZINC000587266785 FE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 ZINC000587266786 FE Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cnnc(O)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266787 FE Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587266800 FE Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587266805 FE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 ZINC000587267387 FE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 ZINC000587267391 FE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 ZINC000587267392 FE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 ZINC000587267393 FE Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587267599 FE Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587267709 FE Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(O)ncnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267715 FE Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)c(C)c1[N+](=O)[O-] ZINC000587267772 FE Annotated Bother CCS(=O)(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267799 FE Annotated Bother CCS(=O)(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267800 FE Annotated Bother COC(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1OC ZINC000587267876 FE Annotated Bother COC(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1OC ZINC000587267877 FE Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587267887 FE Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587267891 FE Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587267948 FE Annotated Bother COC(=O)c1cc2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2cc1OC ZINC000587268068 FE Annotated Bother COC(=O)c1cc2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2cc1OC ZINC000587268070 FE Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587268278 FE Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587268279 FE Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(N)ncnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268281 FE Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587268384 FE Annotated Bother Nc1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268450 FE Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587268463 FE Annotated Bother COC(=O)c1cc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2cc1OC ZINC000587268490 FE Annotated Bother CN(C)CCOc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587268491 FE Annotated Bother COC(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1OC ZINC000587268555 FE Annotated Bother Cc1oc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1[N+](=O)[O-] ZINC000587268652 FE Annotated Bother Cc1oc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000587268720 FE Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 ZINC000587268823 FE Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587268889 FE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5c(cc4[nH]3)OCO5)nn2)c1 ZINC000587268964 FE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)nn2)c1 ZINC000587269121 FE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(S)nc(S)nc4[nH]3)nn2)c1 ZINC000587269143 FE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)nn2)c1 ZINC000587269194 FE Annotated Bother N#Cc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1C#N ZINC000587269196 FE Annotated Mild N[C@@H](CCc1nc2c(Cl)ccnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269299 FE Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587269522 FE Annotated Bother CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587269523 FE Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cncnc3[nH]2)CC1 ZINC000587269578 FE Annotated Bother O=[N+]([O-])c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1[N+](=O)[O-] ZINC000587269609 FE Annotated Bother O=C(O)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587269640 FE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)nn2)c1 ZINC000587269721 FE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)nn2)c1 ZINC000587269722 FE Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(CCO)cc4[nH]3)nn2)c1 ZINC000587269833 FE Annotated Bother N#Cc1nc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2nc1C#N ZINC000587269998 FE Annotated Mild N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587270041 FE Annotated Bother N[C@@H](N=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587270265 FE Annotated Bother N[C@H](N=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587270267 FE Annotated Bother O=C(O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587270296 FE Annotated Bother Nc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cn1 ZINC000587270477 FE Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587270527 FE Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587270877 FE Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587270921 FE Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587270924 FE Annotated Bother N[C@@H](CCc1nc2ccnc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270942 FE Annotated Bother Nc1ccnc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 ZINC000587271025 FE Annotated Bother N[C@@H](CCc1nc2ccc(Cl)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271058 FE Annotated Bother Nc1nccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587271079 FE Annotated Bother Cc1nccc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587271420 FE Annotated Bother N#Cc1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271613 FE Annotated Mild Cc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587271688 FE Annotated Bother Cc1cncc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272083 FE Annotated Bother Cc1ccc(C)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587272274 FE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)ncc3[nH]2)n1 ZINC000587272838 FE Annotated Bother COC(=O)c1cc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1OC ZINC000587272857 FE Annotated Bother COC(=O)c1cc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1OC ZINC000587272861 FE Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587272924 FE Annotated Bother CCOC(=O)Cc1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587272980 FE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)cnc3[nH]2)n1 ZINC000587273008 FE Annotated Bother O=C(Cl)COCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273063 FE Annotated Reactive C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587273069 FE Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587273072 FE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 ZINC000587273278 FE Annotated Bother N[C@@H](CCc1nc2cccc(O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587273295 FE Annotated Bother Cc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1C ZINC000587273442 FE Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587273570 FE Annotated Bother COC(=O)c1cc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2cc1OC ZINC000587273624 FE Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587273667 FE Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587273668 FE Annotated Bother Cc1cc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c(C)n1 ZINC000587273778 FE Annotated Bother COC(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1OC ZINC000587273953 FE Annotated Bother CN(C)CCOc1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587273992 FE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccnc(Br)c3[nH]2)n1 ZINC000587274030 FE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)n1 ZINC000587274114 FE Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587274132 FE Annotated Bother COC(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1OC ZINC000587274187 FE Annotated Bother COC(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1OC ZINC000587274188 FE Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(I)cc2[nH]1 ZINC000587274242 FE Annotated Bother Cc1cc(C)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587274305 FE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3c(Br)ccnc3[nH]2)n1 ZINC000587274365 FE Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cncc(Br)c3[nH]2)n1 ZINC000587274407 FE Annotated Bother Cc1ccnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587274424 FE Annotated Bother Cc1cnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587274591 FE Annotated Bother CN1CCN(c2ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3c2)CC1 ZINC000587274639 FE Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587274651 FE Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587274655 FE Annotated Bother CCOC(=O)/C=C\C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274665 FE Annotated Mild CCOC(=O)/C=C/C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274667 FE Annotated Mild O=[N+]([O-])c1ccn(CCCc2nc3ccc(Br)nc3[nH]2)n1 ZINC000587274670 FE Annotated Bother Cc1cnn(CC(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587274680 FE Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587274702 FE Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587274703 FE Annotated Bother Cc1c(Br)cnc2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc12 ZINC000587274763 FE Annotated Bother Cc1nc2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2cc1Br ZINC000587274825 FE Annotated Bother CCS(=O)(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587274920 FE Annotated Bother CCS(=O)(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587274921 FE Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(I)c2[nH]1 ZINC000587275035 FE Annotated Bother Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cnn1C ZINC000587275624 FE Annotated Anodyne Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)nn1C ZINC000587276200 FE Annotated Anodyne Cc1nnsc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276230 FE Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)c1cnn2cccnc12 ZINC000587276260 FE Annotated Anodyne Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)n(C)n1 ZINC000587276667 FE Annotated Anodyne Cc1cnn(C)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276704 FE Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276709 FE Annotated Anodyne Cc1nn(C)c(F)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276775 FE Annotated Anodyne C[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277476 FE Annotated Bother C[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277477 FE Annotated Bother CC1=C(c2ccc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)NNC(=O)C1 ZINC000587277631 FE Annotated Bother CC1=C(c2ccc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)NNC(=O)C1 ZINC000587277633 FE Annotated Bother CS(=O)(=O)N1CCC(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CC1 ZINC000587280218 FE Annotated Bother C/N=C(/C#N)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332856 FE Annotated Mild C/N=C(/C#N)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332859 FE Annotated Mild C/N=C(\C#N)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332861 FE Annotated Mild C/N=C(\C#N)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332863 FE Annotated Mild C[C@@]1(CC[C@H](N)C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335229 FE Annotated Anodyne C[C@]1(CC[C@H](N)C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335233 FE Annotated Anodyne C[C@@]1(CC[C@H](N)C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335236 FE Annotated Anodyne C[C@]1(CC[C@H](N)C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335244 FE Annotated Anodyne NC[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337969 FE Annotated Anodyne NC[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337974 FE Annotated Anodyne NC[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337977 FE Annotated Anodyne NC[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337981 FE Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345718 FE Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345720 FE Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345722 FE Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345724 FE Annotated Anodyne NC[C@]1(c2nc[nH]c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348378 FE Annotated Anodyne NC[C@@]1(c2nc[nH]c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348381 FE Annotated Anodyne NC[C@@]1(c2nc[nH]c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348383 FE Annotated Anodyne NC[C@]1(c2nc[nH]c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348386 FE Annotated Anodyne O=C(O)[C@@H]1CC[C@@]2(CN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349901 FE Annotated Anodyne O=C(O)[C@@H]1CC[C@]2(CN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349903 FE Annotated Anodyne O=C(O)[C@@H]1CC[C@@]2(CN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349905 FE Annotated Anodyne O=C(O)[C@@H]1CC[C@]2(CN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349908 FE Annotated Anodyne O=C(O)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350836 FE Annotated Anodyne O=C(O)C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350844 FE Annotated Anodyne O=C(O)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350849 FE Annotated Anodyne O=C(O)C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350853 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355624 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355632 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355634 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355636 FE Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587355894 FE Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587355895 FE Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355896 FE Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355897 FE Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(COC(CO)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587356057 FE Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CO)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587356059 FE Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CO)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587356061 FE Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(COC(CO)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587356063 FE Annotated Mild Nc1nc2cc(Br)cc(-c3ccc4c(O)nc(O)nc4n3)c2o1 ZINC000587366832 FE Annotated Anodyne Cc1nn(Cc2ccc3c(O)nc(O)nc3n2)c(C)c1Br ZINC000587367108 FE Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(N)c1Br ZINC000587367299 FE Annotated Anodyne O=C(CCl)Nc1cc2c(cc1-c1ccc3c(O)nc(O)nc3n1)OCO2 ZINC000587368167 FE Annotated Reactive Oc1nc(O)c2ccc(-c3cn(Cc4ccc(Cl)cc4)nn3)nc2n1 ZINC000587368183 FE Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368202 FE Annotated Anodyne CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1F ZINC000587368249 FE Annotated Anodyne COc1cc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)ccc1Cl ZINC000587368260 FE Annotated Anodyne COc1ccc(Cl)cc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368286 FE Annotated Anodyne CCOC(=O)C(F)(F)c1ccc(-c2ccc3c(O)nc(O)nc3n2)n1C ZINC000587368303 FE Annotated Anodyne Oc1nc(O)c2ccc(C[C@](O)(c3ccccc3)C(F)(F)F)nc2n1 ZINC000587368319 FE Annotated Anodyne Oc1nc(O)c2ccc(C[C@@](O)(c3ccccc3)C(F)(F)F)nc2n1 ZINC000587368324 FE Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368355 FE Annotated Anodyne O=S(=O)(c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(F)F ZINC000587368421 FE Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1F ZINC000587368460 FE Annotated Anodyne O=S(=O)(CC(F)F)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587368623 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@](F)(c2ccc3c(O)nc(O)nc3n2)C1 ZINC000587368683 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)(c2ccc3c(O)nc(O)nc3n2)C1 ZINC000587368684 FE Annotated Anodyne COc1cc(Cl)ccc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368876 FE Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)C(F)(F)C(F)(F)C(F)(F)F ZINC000587368913 FE Annotated Mild CCN1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2F)CC1 ZINC000587368951 FE Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587369697 FE Annotated Anodyne COC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587369698 FE Annotated Anodyne CCN(CC)C(=O)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587369856 FE Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 ZINC000587370007 FE Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1 ZINC000587370012 FE Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587370407 FE Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587370409 FE Annotated Anodyne CCOC(=O)[C@@H](Cl)[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370552 FE Annotated Reactive CCOC(=O)[C@@H](Cl)[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370559 FE Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370560 FE Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370562 FE Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373036 FE Annotated Reactive COC(=O)C(=O)[C@@H](Cl)[C@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373038 FE Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373040 FE Annotated Reactive COC(=O)C(=O)[C@@H](Cl)[C@@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587373042 FE Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccnc(N)n1)O2 ZINC000587376963 FE Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccnc(N)n1)O2 ZINC000587376967 FE Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587377535 FE Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587377540 FE Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587377541 FE Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)C2)[C@H]1c1ccc(F)cc1 ZINC000587377542 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)c([N+](=O)[O-])cc21 ZINC000587384374 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)c([N+](=O)[O-])cc21 ZINC000587384375 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c([N+](=O)[O-])cc(F)cc21 ZINC000587384977 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c([N+](=O)[O-])cc(F)cc21 ZINC000587384978 FE Annotated Bother CCOC(=O)CN(C)c1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587385114 FE Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587385120 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(CCO)CCO)cc1)O2 ZINC000587387671 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(CCO)CCO)cc1)O2 ZINC000587387672 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(F)cc([N+](=O)[O-])cc21 ZINC000587387763 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)cc([N+](=O)[O-])cc21 ZINC000587387764 FE Annotated Bother CCOC(=O)CNc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587387939 FE Annotated Anodyne CCOC(=O)CNc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587387940 FE Annotated Anodyne CNC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587388269 FE Annotated Anodyne CNC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587388270 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])O2 ZINC000587388481 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])O2 ZINC000587388482 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])O2 ZINC000587388483 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])O2 ZINC000587388484 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1)O2 ZINC000587388653 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1)O2 ZINC000587388654 FE Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(N)=O ZINC000587388788 FE Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(N)=O ZINC000587388791 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)C(=O)[C@@H]1[N+](=O)[O-] ZINC000587388968 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(C)C(=O)[C@H]1[N+](=O)[O-] ZINC000587388971 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)C(=O)[C@H]1[N+](=O)[O-] ZINC000587388972 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(C)C(=O)[C@@H]1[N+](=O)[O-] ZINC000587388973 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@H](C[N+](=O)[O-])[C@H]1CC(=O)O)O2 ZINC000587389241 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@H]1CC(=O)O)O2 ZINC000587389249 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)O2 ZINC000587389250 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)O2 ZINC000587389251 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@H](C[N+](=O)[O-])[C@@H]1CC(=O)O)O2 ZINC000587389254 FE Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)O2 ZINC000587389436 FE Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)O2 ZINC000587389441 FE Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)O2 ZINC000587389442 FE Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)O2 ZINC000587389443 FE Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@H]1[N+](=O)[O-] ZINC000587389528 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2OC(=O)[C@@H]1[N+](=O)[O-] ZINC000587389541 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2OC(=O)[C@H]1[N+](=O)[O-] ZINC000587389543 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[N+](=O)[O-] ZINC000587389545 FE Annotated Mild CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587389929 FE Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587389936 FE Annotated Anodyne CCOC(=O)[C@@]1(CC(N)=O)CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587389938 FE Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587389940 FE Annotated Anodyne CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1CCCC(=O)O ZINC000587390292 FE Annotated Anodyne CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1CCCC(=O)O ZINC000587390293 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-[n+]3cc(=O)o[nH]3)cc1)O2 ZINC000587390835 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-[n+]3cc(=O)o[nH]3)cc1)O2 ZINC000587390838 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(COC(=O)C(C)(C)C)nn1)O2 ZINC000587391240 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(COC(=O)C(C)(C)C)nn1)O2 ZINC000587391243 FE Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(N)=O ZINC000587391397 FE Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(N)=O ZINC000587391398 FE Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391539 FE Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391541 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3nnnn3C)c1)O2 ZINC000587392037 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3nnnn3C)c1)O2 ZINC000587392039 FE Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392191 FE Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392192 FE Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587392518 FE Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587392519 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1N1CCOCC1)O2 ZINC000587392591 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1N1CCOCC1)O2 ZINC000587392592 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3nnnn3C)cc1)O2 ZINC000587392627 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3nnnn3C)cc1)O2 ZINC000587392628 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=NN(CC(=O)O)c3ccccc31)O2 ZINC000587393342 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=NN(CC(=O)O)c3ccccc31)O2 ZINC000587393343 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C[C@H]1C(=O)O)O2 ZINC000587393381 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C[C@@H]1C(=O)O)O2 ZINC000587393382 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C[C@@H]1C(=O)O)O2 ZINC000587393383 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C[C@H]1C(=O)O)O2 ZINC000587393384 FE Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393729 FE Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393730 FE Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394180 FE Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394181 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=NN(C)c2ccccc21 ZINC000587394255 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=NN(C)c2ccccc21 ZINC000587394256 FE Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395723 FE Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395724 FE Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396198 FE Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396200 FE Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396851 FE Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396860 FE Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cnccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587397300 FE Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587397301 FE Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cnccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587397302 FE Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587397303 FE Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397764 FE Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397766 FE Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397771 FE Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397772 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1c(=O)oc(=O)c3ccccc31)O2 ZINC000587398795 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1c(=O)oc(=O)c3ccccc31)O2 ZINC000587398796 FE Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398916 FE Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398917 FE Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587398933 FE Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587398936 FE Annotated Anodyne C=C(C)C(=O)OCCOC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399030 FE Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399033 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc3c(c1)CCC(=O)N3)O2 ZINC000587399389 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc3c(c1)CCC(=O)N3)O2 ZINC000587399394 FE Annotated Anodyne CCOC(=O)C(C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC ZINC000587399473 FE Annotated Anodyne CCOC(=O)C(C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC ZINC000587399476 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCC(=O)O)c2ccccc21 ZINC000587399623 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCC(=O)O)c2ccccc21 ZINC000587399624 FE Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587399834 FE Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587399835 FE Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399856 FE Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399864 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC(CN3CCCCC3)=CC1=O)O2 ZINC000587400030 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC(CN3CCCCC3)=CC1=O)O2 ZINC000587400031 FE Annotated Mild COC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OC ZINC000587400342 FE Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C(=O)OC ZINC000587400344 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2cc(N(C)C)ccc21 ZINC000587401061 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2cc(N(C)C)ccc21 ZINC000587401069 FE Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401242 FE Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401243 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C=O)(c1ccc(N3CCOCC3)cc1)O2 ZINC000587401678 FE Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C=O)(c1ccc(N3CCOCC3)cc1)O2 ZINC000587401679 FE Annotated Mild CCOC(=O)C1(C(=O)OCC)CC2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587401740 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CN3CCCCC3)OCC1=O)O2 ZINC000587402110 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CN3CCCCC3)OCC1=O)O2 ZINC000587402111 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC13CN(C(=O)OC(C)(C)C)C3)O2 ZINC000587402136 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC13CN(C(=O)OC(C)(C)C)C3)O2 ZINC000587402137 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCNC(=O)C3)cc1)O2 ZINC000587402171 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCNC(=O)C3)cc1)O2 ZINC000587402173 FE Annotated Anodyne CCOC(=O)C1C[C@H]2CC3(CC(=O)c4cc(C)cc(N)c4O3)C[C@@H](C1)N2 ZINC000587402452 FE Annotated Anodyne COC(=O)C1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC(OC)(OC)C1 ZINC000587402482 FE Annotated Anodyne COC(=O)C1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC(OC)(OC)C1 ZINC000587402490 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc3c(cc21)OCCO3 ZINC000587402614 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc3c(cc21)OCCO3 ZINC000587402615 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCN(S(=O)(=O)C3CC3)CC1)O2 ZINC000587407503 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCN(S(=O)(=O)C3CC3)CC1)O2 ZINC000587407513 FE Annotated Anodyne CCCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587407648 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1cccc(C)n1)O2 ZINC000587408022 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1cccc(C)n1)O2 ZINC000587408029 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C)c(S(N)(=O)=O)c1)O2 ZINC000587408054 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C)c(S(N)(=O)=O)c1)O2 ZINC000587408060 FE Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 ZINC000587408697 FE Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408731 FE Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408736 FE Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587408793 FE Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587408794 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CN(C)S(C)(=O)=O)o1)O2 ZINC000587409325 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CN(C)S(C)(=O)=O)o1)O2 ZINC000587409337 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@H]2[C@H]4[C@@H]3[C@H]21 ZINC000587409823 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(OCCO2)[C@@H]2[C@H]4[C@@H]3[C@H]21 ZINC000587409824 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(OCCO1)[C@H]42 ZINC000587409826 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]42)[C@@H]1[C@@H]5C31OCCO1 ZINC000587409829 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(N)(=O)=O)ccc1C)O2 ZINC000587410327 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(N)(=O)=O)ccc1C)O2 ZINC000587410328 FE Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410335 FE Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410336 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CS(=O)(=O)N(C)c3ccccc31)O2 ZINC000587410492 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CS(=O)(=O)N(C)c3ccccc31)O2 ZINC000587410493 FE Annotated Anodyne COC(=O)[C@@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412916 FE Annotated Reactive COC(=O)[C@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412921 FE Annotated Reactive COC(=O)[C@@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412922 FE Annotated Reactive COC(=O)[C@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412924 FE Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCN(C)CC3)s1)O2 ZINC000587413814 FE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCN(C)CC3)s1)O2 ZINC000587413815 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1nonc1C)[C@@H](C2)C3=O ZINC000587414750 FE Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1nonc1C)[C@@H](C2)C3=O ZINC000587414754 FE Annotated Reactive CCOC(=O)[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414776 FE Annotated Reactive CCOC(=O)[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414781 FE Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1nc(Br)cnc1N)[C@@H](C2)C3=O ZINC000587416916 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(Br)cnc1N)[C@@H](C2)C3=O ZINC000587416917 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC=Cn4c1nc(Cl)cc4=O)[C@@H](C2)C3=O ZINC000587420176 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC=Cn4c1nc(Cl)cc4=O)[C@@H](C2)C3=O ZINC000587420190 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(N)=O)n(C)c1)[C@@H](C2)C3=O ZINC000587420955 FE Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(N)=O)n(C)c1)[C@@H](C2)C3=O ZINC000587420956 FE Annotated Reactive COc1cc2c3c(c1)OC1(CCN(C(=O)C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587423347 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)cc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587426601 FE Annotated Bother COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(F)cc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587426608 FE Annotated Bother COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c([N+](=O)[O-])cc(F)cc41)[C@@H](C2)C3=O ZINC000587426614 FE Annotated Bother COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c([N+](=O)[O-])cc(F)cc41)[C@@H](C2)C3=O ZINC000587426616 FE Annotated Bother COc1cc2c3c(c1)O[C@@H](CCCNC(=O)C1CCOCC1)[C@@H](C2)C3=O ZINC000587426794 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCCNC(=O)C1CCOCC1)[C@@H](C2)C3=O ZINC000587426795 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCCC(N)=O)[C@@H](C2)C3=O ZINC000587427418 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCC(N)=O)[C@@H](C2)C3=O ZINC000587427420 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C(N)=O)cc1)[C@@H](C2)C3=O ZINC000587427603 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C(N)=O)cc1)[C@@H](C2)C3=O ZINC000587427627 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C(N)=O)cc1)[C@@H](C2)C3=O ZINC000587427629 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C(N)=O)cc1)[C@@H](C2)C3=O ZINC000587427631 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCC(N)=O)c1)[C@@H](C2)C3=O ZINC000587427635 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCC(N)=O)c1)[C@@H](C2)C3=O ZINC000587427637 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O ZINC000587427639 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O ZINC000587427656 FE Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428713 FE Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428717 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(F)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587429289 FE Annotated Bother COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(F)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587429290 FE Annotated Bother COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429543 FE Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429544 FE Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429545 FE Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429546 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1nccn1C)(C1CCOCC1)[C@@H](C2)C3=O ZINC000587430623 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1nccn1C)(C1CCOCC1)[C@@H](C2)C3=O ZINC000587430625 FE Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430726 FE Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430728 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1cnn(C)c1)[C@@H](C2)C3=O ZINC000587430729 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1cnn(C)c1)[C@@H](C2)C3=O ZINC000587430733 FE Annotated Anodyne CCOC(=O)[C@]1(c2cnn(CC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431229 FE Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431231 FE Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431273 FE Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431281 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587431337 FE Annotated Bother COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587431346 FE Annotated Bother CCOC(=O)C[C@@]1(c2cncn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431961 FE Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431962 FE Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431999 FE Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432001 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1N1CCOCC1)[C@@H](C2)C3=O ZINC000587432169 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1N1CCOCC1)[C@@H](C2)C3=O ZINC000587432170 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587432403 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587432405 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cnn(C)c1C)[C@@H](C2)C3=O ZINC000587432490 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cnn(C)c1C)[C@@H](C2)C3=O ZINC000587432491 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cnn(C)c1C)[C@@H](C2)C3=O ZINC000587432494 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cnn(C)c1C)[C@@H](C2)C3=O ZINC000587432495 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1nccc(C)n1)[C@@H](C2)C3=O ZINC000587432499 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1nccc(C)n1)[C@@H](C2)C3=O ZINC000587432501 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587432589 FE Annotated Bother COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587432590 FE Annotated Bother CCOC(=O)C[C@@]1(c2cc(C)nn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432904 FE Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432907 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(CC(=O)O)c1C)[C@@H](C2)C3=O ZINC000587432988 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(CC(=O)O)c1C)[C@@H](C2)C3=O ZINC000587432990 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587433216 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587433217 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587433219 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cn(C)nc1C)[C@@H](C2)C3=O ZINC000587433220 FE Annotated Anodyne CNC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587433281 FE Annotated Anodyne CNC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587433282 FE Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433289 FE Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433290 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@@H](C)C(N)=O)c1)[C@@H](C2)C3=O ZINC000587433329 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(O[C@H](C)C(N)=O)c1)[C@@H](C2)C3=O ZINC000587433330 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(O[C@@H](C)C(N)=O)c1)[C@@H](C2)C3=O ZINC000587433331 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@H](C)C(N)=O)c1)[C@@H](C2)C3=O ZINC000587433332 FE Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433409 FE Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433410 FE Annotated Anodyne CNC(=O)COc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587433515 FE Annotated Anodyne CNC(=O)COc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587433516 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cnn(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587433562 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1cnn(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587433575 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCC(N)=O)[C@@H](C2)C3=O ZINC000587433731 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCC(N)=O)[C@@H](C2)C3=O ZINC000587433732 FE Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CC5C[C@H]1CC(C(N)=O)(C5)C4)[C@@H](C2)C3=O ZINC000587433942 FE Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434538 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)N(C[C@@H]4CCCO4)C(=O)C1)[C@@H](C2)C3=O ZINC000587434841 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)N(C[C@H]4CCCO4)C(=O)C1)[C@@H](C2)C3=O ZINC000587434843 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)N(C[C@@H]4CCCO4)C(=O)C1)[C@@H](C2)C3=O ZINC000587434844 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)N(C[C@H]4CCCO4)C(=O)C1)[C@@H](C2)C3=O ZINC000587434845 FE Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434944 FE Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434948 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(COC(=O)C(C)(C)C)nn1)[C@@H](C2)C3=O ZINC000587435147 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(COC(=O)C(C)(C)C)nn1)[C@@H](C2)C3=O ZINC000587435160 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4cc(N(C)C)ccc41)[C@@H](C2)C3=O ZINC000587435207 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4cc(N(C)C)ccc41)[C@@H](C2)C3=O ZINC000587435209 FE Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C4CCN(C)CC4)CC1)[C@@H](C2)C3=O ZINC000587435347 FE Annotated Anodyne COC(=O)c1cccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587435451 FE Annotated Mild COC(=O)c1cccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587435452 FE Annotated Mild CCOC(=O)[C@@H]1CN(CC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435604 FE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435608 FE Annotated Anodyne CCOC(=O)[C@H]1CN(CC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435610 FE Annotated Anodyne CCOC(=O)[C@H]1CN(CC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435612 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4nc(O)c(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587435920 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4nc(O)c(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587435923 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4nc(C)nn4c1C)[C@@H](C2)C3=O ZINC000587436361 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4nc(C)nn4c1C)[C@@H](C2)C3=O ZINC000587436362 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)n(C)c(=O)n4C)[C@@H](C2)C3=O ZINC000587436423 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)n(C)c(=O)n4C)[C@@H](C2)C3=O ZINC000587436424 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4N(C)C(=O)[C@@H]1C#N)[C@@H](C2)C3=O ZINC000587436642 FE Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4N(C)C(=O)[C@H]1C#N)[C@@H](C2)C3=O ZINC000587436643 FE Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4N(C)C(=O)[C@@H]1C#N)[C@@H](C2)C3=O ZINC000587436644 FE Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4ccccc4N(C)C(=O)[C@H]1C#N)[C@@H](C2)C3=O ZINC000587436645 FE Annotated Mild CCOC(=O)C[C@@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436929 FE Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436930 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(c4ccccc4)N(C)[C@H]1C)[C@@H](C2)C3=O ZINC000587436937 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(c4ccccc4)N(C)[C@@H]1C)[C@@H](C2)C3=O ZINC000587436938 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(c4ccccc4)N(C)[C@@H]1C)[C@@H](C2)C3=O ZINC000587436939 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(c4ccccc4)N(C)[C@H]1C)[C@@H](C2)C3=O ZINC000587436940 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)O)c(O)nc1C)[C@@H](C2)C3=O ZINC000587437215 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)O)c(O)nc1C)[C@@H](C2)C3=O ZINC000587437216 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=NN(CC(=O)O)c4ccccc41)[C@@H](C2)C3=O ZINC000587437217 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=NN(CC(=O)O)c4ccccc41)[C@@H](C2)C3=O ZINC000587437218 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](CN1C(=O)COc4ccccc41)[C@@H](C2)C3=O ZINC000587437260 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CN1C(=O)COc4ccccc41)[C@@H](C2)C3=O ZINC000587437261 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=NN(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587437264 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=NN(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587437265 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1cc(C(=O)O)nn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587437510 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cn1cc(C(=O)O)nn1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587437513 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)N(CCCC(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587437524 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)N(CCCC(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587437525 FE Annotated Anodyne CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587437848 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(OC)cc(OC)c41)[C@@H](C2)C3=O ZINC000587438167 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(OC)cc(OC)c41)[C@@H](C2)C3=O ZINC000587438170 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587438445 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587438447 FE Annotated Anodyne CCOC(=O)[C@@](C)(OC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438496 FE Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438498 FE Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438500 FE Annotated Anodyne CCOC(=O)[C@@](C)(OC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438502 FE Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C(=O)CCCC(=O)O)CC1)[C@@H](C2)C3=O ZINC000587438682 FE Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438849 FE Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438850 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587439111 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587439113 FE Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439506 FE Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](OC)C1 ZINC000587439700 FE Annotated Anodyne CCOC(=O)N1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](OC)C1 ZINC000587439703 FE Annotated Anodyne CCOC(=O)N1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](OC)C1 ZINC000587439706 FE Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](OC)C1 ZINC000587439708 FE Annotated Anodyne CCC1=C(C)N[C@H]2N(CCC[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1=O ZINC000587439797 FE Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1=O ZINC000587439798 FE Annotated Anodyne C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439800 FE Annotated Mild CCC1=C(C)N[C@@H]2N(CCC[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1=O ZINC000587439801 FE Annotated Anodyne CCC1=C(C)N[C@H]2N(CCC[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1=O ZINC000587439802 FE Annotated Anodyne C=C(C)C(=O)OCCOC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439805 FE Annotated Mild COC(=O)CCCN1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440439 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccnc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587440522 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccnc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587440530 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCNC(=O)C4)cc1)[C@@H](C2)C3=O ZINC000587440584 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCNC(=O)C4)cc1)[C@@H](C2)C3=O ZINC000587440587 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(N(C)C)ccc41)[C@@H](C2)C3=O ZINC000587440635 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(N(C)C)ccc41)[C@@H](C2)C3=O ZINC000587440638 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(OC)c(OC)cc41)[C@@H](C2)C3=O ZINC000587440732 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(OC)c(OC)cc41)[C@@H](C2)C3=O ZINC000587440736 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(COC14CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587441237 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COC14CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587441256 FE Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441442 FE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441607 FE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441609 FE Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441661 FE Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441662 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc5c(cc41)OCCO5)[C@@H](C2)C3=O ZINC000587441874 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc5c(cc41)OCCO5)[C@@H](C2)C3=O ZINC000587441875 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1c[nH]c4ncccc14)[C@@H](C2)C3=O ZINC000587441937 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1c[nH]c4ncccc14)[C@@H](C2)C3=O ZINC000587441938 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)nc1)[C@@H](C2)C3=O ZINC000587442253 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)nc1)[C@@H](C2)C3=O ZINC000587442254 FE Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442866 FE Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442868 FE Annotated Anodyne CCOC(=O)C[C@]1(CN2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443966 FE Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443967 FE Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444312 FE Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444320 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnc(N4CCOCC4)c1)[C@@H](C2)C3=O ZINC000587444851 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccnc(N4CCOCC4)c1)[C@@H](C2)C3=O ZINC000587444855 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(O)c(OC)c1)([C@@H](C)O)[C@@H](C2)C3=O ZINC000587445031 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(O)c(OC)c1)([C@@H](C)O)[C@@H](C2)C3=O ZINC000587445032 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(O)c(OC)c1)([C@H](C)O)[C@@H](C2)C3=O ZINC000587445033 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(O)c(OC)c1)([C@H](C)O)[C@@H](C2)C3=O ZINC000587445034 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(N4CCOCC4)n1)[C@@H](C2)C3=O ZINC000587445356 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(N4CCOCC4)n1)[C@@H](C2)C3=O ZINC000587445357 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(CN4CCCCC4)OCC1=O)[C@@H](C2)C3=O ZINC000587445381 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(CN4CCCCC4)OCC1=O)[C@@H](C2)C3=O ZINC000587445383 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COC(CN4CCCCC4)=CC1=O)[C@@H](C2)C3=O ZINC000587445851 FE Annotated Mild COc1cc2c3c(c1)O[C@@]1(COC(CN4CCCCC4)=CC1=O)[C@@H](C2)C3=O ZINC000587445852 FE Annotated Mild COc1cc2c3c(c1)O[C@](CC(=O)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447209 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(=O)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447210 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447479 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447481 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(S(N)(=O)=O)ccc1C)[C@@H](C2)C3=O ZINC000587447502 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(S(N)(=O)=O)ccc1C)[C@@H](C2)C3=O ZINC000587447504 FE Annotated Anodyne CNS(=O)(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447566 FE Annotated Anodyne CNS(=O)(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447567 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)c(C#N)c1)[C@@H](C2)C3=O ZINC000587447724 FE Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)c(C#N)c1)[C@@H](C2)C3=O ZINC000587447725 FE Annotated Mild CNS(=O)(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587447736 FE Annotated Anodyne CNS(=O)(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587447737 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C2)C3=O ZINC000587447750 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C2)C3=O ZINC000587447751 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C(=[N+]=[N-])P(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587447754 FE Annotated Clean COc1cc2c3c(c1)O[C@@](C)(C(=[N+]=[N-])P(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587447755 FE Annotated Clean COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1cccc(C)n1)[C@@H](C2)C3=O ZINC000587448010 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1cccc(C)n1)[C@@H](C2)C3=O ZINC000587448015 FE Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587448136 FE Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587448282 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587448873 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587448874 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(S(C)(=O)=O)c(C)c1)[C@@H](C2)C3=O ZINC000587448889 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(S(C)(=O)=O)c(C)c1)[C@@H](C2)C3=O ZINC000587448890 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(C)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448935 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448936 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CS(=O)(=O)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587449047 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CS(=O)(=O)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587449050 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCN(C)CC4)s1)[C@@H](C2)C3=O ZINC000587449577 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCN(C)CC4)s1)[C@@H](C2)C3=O ZINC000587449587 FE Annotated Anodyne CCCS(=O)(=O)N1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587449618 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O ZINC000587450276 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O ZINC000587450277 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCOCC4)s1)[C@@H](C2)C3=O ZINC000587450536 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCOCC4)s1)[C@@H](C2)C3=O ZINC000587450539 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@H](C(=O)O)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587450625 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@@H](C(=O)O)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587450628 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@@H](C(=O)O)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587450629 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C)[C@H](C(=O)O)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587450630 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(S(C)(=O)=O)ccc1O)[C@@H](C2)C3=O ZINC000587450699 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(S(C)(=O)=O)ccc1O)[C@@H](C2)C3=O ZINC000587450708 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587450820 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587450821 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C(=O)O)CC[C@H]1C4(C)C)[C@@H](C2)C3=O ZINC000587451219 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C(=O)O)CC[C@H]1C4(C)C)[C@@H](C2)C3=O ZINC000587451220 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587451421 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587451423 FE Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587451437 FE Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587451439 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CS(=O)(=O)N(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587451643 FE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CS(=O)(=O)N(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587451644 FE Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451924 FE Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451928 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587453308 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587453321 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4[C@H]5C[C@@H]6[C@@H]4[C@@]4(C(=O)O)[C@@H]1[C@H]5[C@@H]64)[C@@H](C2)C3=O ZINC000587453541 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4[C@H]5C[C@@H]6[C@H]4[C@]4(C(=O)O)[C@@H]1[C@H]5[C@@H]64)[C@@H](C2)C3=O ZINC000587453554 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4[C@H]5C[C@@H]6[C@@H]4[C@]4(C(=O)O)[C@@H]1[C@H]5[C@@H]64)[C@@H](C2)C3=O ZINC000587453560 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4[C@H]5C[C@@H]6[C@H]4[C@@]4(C(=O)O)[C@@H]1[C@H]5[C@@H]64)[C@@H](C2)C3=O ZINC000587453566 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1SCC(=O)O)[C@@H](C2)C3=O ZINC000587453932 FE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1SCC(=O)O)[C@@H](C2)C3=O ZINC000587453935 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587454857 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587454861 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1[C@H](O)C(=O)O)[C@@H](C2)C3=O ZINC000587455251 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1[C@@H](O)C(=O)O)[C@@H](C2)C3=O ZINC000587455252 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1[C@@H](O)C(=O)O)[C@@H](C2)C3=O ZINC000587455253 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1[C@H](O)C(=O)O)[C@@H](C2)C3=O ZINC000587455254 FE Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc4ccccc4o1)(C(O)O)[C@@H](C2)C3=O ZINC000587457130 FE Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc4ccccc4o1)(C(O)O)[C@@H](C2)C3=O ZINC000587457136 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)C(=O)OC)CC2=O ZINC000587458173 FE Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)C(=O)OC)CC2=O ZINC000587458174 FE Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)C(=O)OC)CC2=O ZINC000587458175 FE Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)C(=O)OC)CC2=O ZINC000587458176 FE Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@H]1NC(=O)C=C(C(F)(F)F)N1)CC2=O ZINC000587464670 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1NC(=O)C=C(C(F)(F)F)N1)CC2=O ZINC000587464671 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1NC(=O)C=C(C(F)(F)F)N1)CC2=O ZINC000587464672 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1NC(=O)C=C(C(F)(F)F)N1)CC2=O ZINC000587464673 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(N(C)CC(=O)O)nc1)CC2=O ZINC000587469770 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N(C)CC(=O)O)nc1)CC2=O ZINC000587469771 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](NC(C)=O)C(=O)OCC)CC2=O ZINC000587472168 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](NC(C)=O)C(=O)OCC)CC2=O ZINC000587472169 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](NC(C)=O)C(=O)OCC)CC2=O ZINC000587472170 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](NC(C)=O)C(=O)OCC)CC2=O ZINC000587472171 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(C(O)O)CC2=O ZINC000587472912 FE Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(C(O)O)CC2=O ZINC000587472913 FE Annotated Bother CCCc1c(O)ccc2c1O[C@](C(N)=O)(c1c(C)nn(C)c1C)CC2=O ZINC000587474398 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(N)=O)(c1c(C)nn(C)c1C)CC2=O ZINC000587474399 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn(CC(=O)OCC)nn1)CC2=O ZINC000587474924 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CC(=O)OCC)nn1)CC2=O ZINC000587474925 FE Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CC(=O)N(C)C)CC1)CC2=O ZINC000587475908 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@@H]1O ZINC000587477323 FE Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@H]1O ZINC000587477326 FE Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@H]1O ZINC000587477329 FE Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@@H]1O ZINC000587477333 FE Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CC(=O)O)C(=O)C1)CC2=O ZINC000587478486 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CC(=O)O)C(=O)C1)CC2=O ZINC000587478512 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C(OC)OC)CC2=O ZINC000587478716 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C(OC)OC)CC2=O ZINC000587478768 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC(=O)OC)C(=O)OC)CC2=O ZINC000587479148 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](CC(=O)OC)C(=O)OC)CC2=O ZINC000587479149 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC(=O)OC)C(=O)OC)CC2=O ZINC000587479150 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](CC(=O)OC)C(=O)OC)CC2=O ZINC000587479151 FE Annotated Anodyne CCCc1c(O)ccc2c1OC(C(=O)OCC)(C(=O)OCC)CC2=O ZINC000587481338 FE Annotated Anodyne CCCc1c(O)ccc2c1OC(CC(=O)OC)(CC(=O)OC)CC2=O ZINC000587483385 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C)C=C1C(=O)OCC ZINC000587483833 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C)C=C1C(=O)OCC ZINC000587483841 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N2CCCC2=C1C(=O)O ZINC000587485246 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N2CCCC2=C1C(=O)O ZINC000587485249 FE Annotated Anodyne CCCc1c(O)ccc2c1OC(COC(C)=O)(COC(C)=O)CC2=O ZINC000587486762 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](O)C(=O)c2ccccc21 ZINC000587486915 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](O)C(=O)c2ccccc21 ZINC000587486920 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](O)C(=O)c2ccccc21 ZINC000587486923 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](O)C(=O)c2ccccc21 ZINC000587486928 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3c(C(N)=O)cnn3c1)CC2=O ZINC000587487934 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(C(N)=O)cnn3c1)CC2=O ZINC000587487944 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CCN(CC2)[C@H]1C(=O)OC ZINC000587487946 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CCN(CC2)[C@H]1C(=O)OC ZINC000587487950 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CCN(CC2)[C@@H]1C(=O)OC ZINC000587487951 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CCN(CC2)[C@@H]1C(=O)OC ZINC000587487953 FE Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CC1)NC(=O)NC3=O)CC2=O ZINC000587488448 FE Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(S(C)(=O)=O)CC1)CC2=O ZINC000587488874 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1[C@H](C(=O)O)[C@H]2C(=O)O ZINC000587491891 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1[C@@H](C(=O)O)[C@@H]2C(=O)O ZINC000587491893 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)O ZINC000587491894 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O ZINC000587491895 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)(C(O)O)CC2=O ZINC000587494420 FE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)(C(O)O)CC2=O ZINC000587494425 FE Annotated Anodyne O=C1C=C(C(F)(F)F)N[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)N1 ZINC000587502860 FE Annotated Anodyne O=C1C=C(C(F)(F)F)N[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)N1 ZINC000587502866 FE Annotated Anodyne O=C1C=C(C(F)(F)F)N[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)N1 ZINC000587502867 FE Annotated Anodyne O=C1C=C(C(F)(F)F)N[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)N1 ZINC000587502870 FE Annotated Anodyne N#CCNC(=O)CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587511961 FE Annotated Mild CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514344 FE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514346 FE Annotated Anodyne CCOC(=O)[C@@H](NC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514349 FE Annotated Anodyne CCOC(=O)[C@@H](NC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514351 FE Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516695 FE Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516700 FE Annotated Anodyne CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CC(=O)O ZINC000587517069 FE Annotated Anodyne CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CC(=O)O ZINC000587517070 FE Annotated Anodyne COC(=O)Cn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587517154 FE Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587517155 FE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517280 FE Annotated Anodyne CCOC(=O)[C@H]1CN(CC)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517281 FE Annotated Anodyne CCOC(=O)[C@H]1CN(CC)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517282 FE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517283 FE Annotated Anodyne C[C@@]1(CC(=O)ON2C(=O)CCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517877 FE Annotated Mild C[C@]1(CC(=O)ON2C(=O)CCC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517878 FE Annotated Mild O=C1NC(=O)C2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)N1 ZINC000587523828 FE Annotated Anodyne NC(=O)c1cnn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 ZINC000587528041 FE Annotated Anodyne NC(=O)c1cnn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12 ZINC000587528046 FE Annotated Anodyne O=C1C[C@](c2ccc3c(c2)OCO3)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587535990 FE Annotated Anodyne O=C1C[C@@](c2ccc3c(c2)OCO3)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587535991 FE Annotated Anodyne CN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Cl)C1=O ZINC000587550290 FE Annotated Reactive CN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Cl)C1=O ZINC000587550291 FE Annotated Reactive CN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O ZINC000587550292 FE Annotated Reactive CN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O ZINC000587550293 FE Annotated Reactive Cc1ccc(NC(=O)[C@H](N=O)c2ccc3c(O)nc(O)nc3n2)c(C)c1 ZINC000587552814 FE Annotated Anodyne Cc1ccc(NC(=O)[C@@H](N=O)c2ccc3c(O)nc(O)nc3n2)c(C)c1 ZINC000587552829 FE Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)c1cc3c(O)nc(O)nc3nc1-2 ZINC000587553665 FE Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@@H](C)c1cc3c(O)nc(O)nc3nc1-2 ZINC000587553668 FE Annotated Anodyne COCCc1cc2c(O)nc(O)nc2nc1[C@@H](C)NC(=O)OC(C)(C)C ZINC000587555130 FE Annotated Anodyne COCCc1cc2c(O)nc(O)nc2nc1[C@H](C)NC(=O)OC(C)(C)C ZINC000587555131 FE Annotated Anodyne COC(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])c1 ZINC000587555799 FE Annotated Bother Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587556078 FE Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587556089 FE Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587556150 FE Annotated Anodyne CC(C)(Oc1ccc2c(c1)CCc1cc3c(O)nc(O)nc3nc1-2)C(=O)O ZINC000587556184 FE Annotated Anodyne O=C(N[C@@H]1CCc2cc3c(O)nc(O)nc3nc2C1)OCc1ccccc1 ZINC000587556207 FE Annotated Anodyne O=C(N[C@H]1CCc2cc3c(O)nc(O)nc3nc2C1)OCc1ccccc1 ZINC000587556208 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCc3nc4nc(O)nc(O)c4cc3C2)C1 ZINC000587556450 FE Annotated Anodyne C[C@H](Oc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1)C(=O)O ZINC000587556561 FE Annotated Anodyne C[C@@H](Oc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1)C(=O)O ZINC000587556568 FE Annotated Anodyne O=C(N[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCc1ccccc1 ZINC000587556752 FE Annotated Anodyne O=C(N[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1)OCc1ccccc1 ZINC000587556753 FE Annotated Anodyne O=C(O)C1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)CC1 ZINC000587557013 FE Annotated Anodyne CN(C)/C=C1\c2nc3nc(O)nc(O)c3cc2CCN1C(=O)OC(C)(C)C ZINC000587557129 FE Annotated Anodyne CN(C)/C=C1/c2nc3nc(O)nc(O)c3cc2CCN1C(=O)OC(C)(C)C ZINC000587557165 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4nc(O)nc(O)c4cc3CC[C@H]21 ZINC000587557300 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4nc(O)nc(O)c4cc3CC[C@@H]21 ZINC000587557301 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4nc(O)nc(O)c4cc3CC[C@@H]21 ZINC000587557302 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4nc(O)nc(O)c4cc3CC[C@H]21 ZINC000587557454 FE Annotated Anodyne Cn1cc(C(=O)Oc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cn1 ZINC000587557567 FE Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H](c2ccc3c(O)nc(O)nc3n2)COC1(C)C ZINC000587557583 FE Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](c2ccc3c(O)nc(O)nc3n2)COC1(C)C ZINC000587557607 FE Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCc1ccc2c(O)nc(O)nc2n1 ZINC000587557969 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@@H]2C1 ZINC000587557976 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@H]2C1 ZINC000587557977 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@H]2C1 ZINC000587557979 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2C1 ZINC000587557981 FE Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc3c(O)nc(O)nc3nc12 ZINC000587558441 FE Annotated Anodyne O=C(Oc1ccccc1)N1CCc2cc3c(O)nc(O)nc3nc2CC1 ZINC000587558454 FE Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1OC ZINC000587558511 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Cc3cc4c(O)nc(O)nc4nc3C2)C1 ZINC000587558848 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Cc3cc4c(O)nc(O)nc4nc3C2)C1 ZINC000587558849 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4nc(O)nc(O)c4cc3[C@@H]2C1 ZINC000587558959 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3cc4c(O)nc(O)nc4nc3CC[C@H]2C1 ZINC000587558960 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCc3nc4nc(O)nc(O)c4cc3[C@@H]2C1 ZINC000587558962 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4nc(O)nc(O)c4cc3[C@H]2C1 ZINC000587558963 FE Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1cccc(C=O)c1 ZINC000587559083 FE Annotated Anodyne CCOc1ccccc1[C@H]1CC(=O)Cc2nc3nc(O)nc(O)c3cc21 ZINC000587559095 FE Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)Cc2nc3nc(O)nc(O)c3cc21 ZINC000587559101 FE Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3cc4c(O)nc(O)nc4nc3C[C@H]2C1 ZINC000587559296 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3nc4nc(O)nc(O)c4cc3CC[C@H]2C1 ZINC000587559297 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCc3cc4c(O)nc(O)nc4nc3[C@H]2C1 ZINC000587559298 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3cc4c(O)nc(O)nc4nc3[C@H]2C1 ZINC000587559299 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3cc4c(O)nc(O)nc4nc3[C@@H]2C1 ZINC000587559300 FE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3[C@@H](C2)C1 ZINC000587559303 FE Annotated Anodyne COC(=O)c1ccnc([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)c1 ZINC000587559362 FE Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)c1 ZINC000587559379 FE Annotated Anodyne COc1ccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1OC ZINC000587559433 FE Annotated Anodyne COc1ccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1OC ZINC000587559441 FE Annotated Anodyne COC(=O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(OC)cc1 ZINC000587559759 FE Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587560021 FE Annotated Anodyne COC(=O)[C@]1(c2ccccc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587560022 FE Annotated Anodyne CCOC(=O)CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587560250 FE Annotated Anodyne O=C(O)CCC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587561098 FE Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H](c3ccc4c(O)nc(O)nc4n3)C[C@]12O ZINC000587561501 FE Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1nc3nc(O)nc(O)c3cc1CC2 ZINC000587561598 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562491 FE Annotated Anodyne COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1SCC(=O)O ZINC000587562590 FE Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587562698 FE Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3nc(O)nc(O)c3cc12 ZINC000587562769 FE Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3nc(O)nc(O)c3cc12 ZINC000587562772 FE Annotated Unstable CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)c1nc3nc(O)nc(O)c3cc12 ZINC000587562774 FE Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(COCC(=O)O)nc2c1 ZINC000587562791 FE Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](Cc4cc5c(O)nc(O)nc5nc4C)[C@@H]3C[C@H]12 ZINC000587562821 FE Annotated Mild O=C(O)COCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587562837 FE Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587562931 FE Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(CC(=O)COC)nc2c1 ZINC000587562970 FE Annotated Anodyne Cc1ccc(C(=O)CCc2nc3nc(O)nc(O)c3cc2CC(=O)O)s1 ZINC000587563145 FE Annotated Anodyne COCC(=O)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587563281 FE Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587563510 FE Annotated Anodyne Cc1ccc(C(=O)Cc2cc3c(O)nc(O)nc3nc2CCC(=O)O)s1 ZINC000587563545 FE Annotated Anodyne O=S(=O)(Cc1ccc2c(O)nc(O)nc2n1)c1ccc(Cl)cc1 ZINC000587563623 FE Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@@H](C1CCC2(CC1)OCCO2)C3 ZINC000587563704 FE Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@H](C1CCC2(CC1)OCCO2)C3 ZINC000587563705 FE Annotated Anodyne O=S(=O)(Cl)c1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1CC2 ZINC000587563734 FE Annotated Unstable Oc1nc(O)c2cc3c(nc2n1)-c1sc(Br)nc1CC3 ZINC000587563973 FE Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1cccc(S(=O)(=O)Cl)c1 ZINC000587564074 FE Annotated Unstable CC(=O)Nc1sc(-c2ccc3c(O)nc(O)nc3n2)c(C)c1C(=O)O ZINC000587564079 FE Annotated Anodyne Cc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)CCC(=O)O)s1 ZINC000587564391 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 ZINC000587566212 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCOc3ccc(C=O)cc3)[nH]c12 ZINC000587566355 FE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(OC)c2[nH]1 ZINC000587567353 FE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587568885 FE Annotated Bother CCOC(=O)CCOCCCOCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587569130 FE Annotated Mild CCOC(=O)CCOCCCOCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587569901 FE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587570363 FE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587570668 FE Annotated Anodyne C#CCNC(=O)C1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587572761 FE Annotated Mild C#CCNC(=O)C1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587572764 FE Annotated Mild CCOC(=O)C(=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573373 FE Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573377 FE Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573379 FE Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573381 FE Annotated Clean COc1ncnc(N)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573464 FE Annotated Anodyne COc1ncnc(N)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573466 FE Annotated Anodyne COc1ncnc(N)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573467 FE Annotated Anodyne COc1ncnc(N)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573468 FE Annotated Anodyne COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)n1 ZINC000587576146 FE Annotated Anodyne COc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)n1 ZINC000587576147 FE Annotated Anodyne COc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)n1 ZINC000587576149 FE Annotated Anodyne COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)n1 ZINC000587576150 FE Annotated Anodyne CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CCO)C1 ZINC000587580268 FE Annotated Anodyne CN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](CCO)C1 ZINC000587580269 FE Annotated Anodyne CN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](CCO)C1 ZINC000587580270 FE Annotated Anodyne CN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](CCO)C1 ZINC000587580271 FE Annotated Anodyne Cn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581214 FE Annotated Anodyne Cn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581215 FE Annotated Anodyne Cn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581216 FE Annotated Anodyne Cn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581217 FE Annotated Anodyne C[C@]1(CN2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581836 FE Annotated Anodyne C[C@@]1(CN2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581837 FE Annotated Anodyne C[C@@]1(CN2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581838 FE Annotated Anodyne C[C@]1(CN2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581839 FE Annotated Anodyne NC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583505 FE Annotated Anodyne NC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583506 FE Annotated Anodyne COCCN1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583770 FE Annotated Anodyne COCCN1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583771 FE Annotated Anodyne COCCN1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583772 FE Annotated Anodyne COCCN1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583773 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(CCO)c1 ZINC000587583994 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(CCO)c1 ZINC000587583995 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(CCO)c1 ZINC000587583996 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(CCO)c1 ZINC000587583997 FE Annotated Anodyne COCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587584607 FE Annotated Anodyne COCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587584608 FE Annotated Anodyne COCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587584609 FE Annotated Anodyne COCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587584610 FE Annotated Anodyne C[C@@]1(c2c[nH]c(=O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585384 FE Annotated Anodyne C[C@@]1(c2c[nH]c(=O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585388 FE Annotated Anodyne C[C@]1(c2c[nH]c(=O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585389 FE Annotated Anodyne C[C@]1(c2c[nH]c(=O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585391 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CCO[C@H]2C1 ZINC000587586396 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN1CCO[C@H]2C1 ZINC000587586399 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN1CCO[C@H]2C1 ZINC000587586400 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CCO[C@H]2C1 ZINC000587586401 FE Annotated Anodyne CN1[C@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588180 FE Annotated Anodyne CN1[C@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588181 FE Annotated Anodyne CN1[C@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588182 FE Annotated Anodyne CN1[C@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588183 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ncnc1O ZINC000587588261 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ncnc1O ZINC000587588262 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ncnc1O ZINC000587588263 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ncnc1O ZINC000587588264 FE Annotated Anodyne Nc1ccn2c1[C@@]1(CNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589609 FE Annotated Anodyne Nc1ccn2c1[C@]1(CNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589610 FE Annotated Anodyne Nc1ccn2c1[C@]1(CNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589611 FE Annotated Anodyne Nc1ccn2c1[C@@]1(CNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589612 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)nc1O ZINC000587590164 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)nc1O ZINC000587590168 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)nc1O ZINC000587590174 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)nc1O ZINC000587590178 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CN=CNc1[nH]cnc12 ZINC000587590716 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CN=CNc1[nH]cnc12 ZINC000587590720 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CN=CNc1[nH]cnc12 ZINC000587590723 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CN=CNc1[nH]cnc12 ZINC000587590724 FE Annotated Anodyne COC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591460 FE Annotated Anodyne COC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591468 FE Annotated Anodyne COC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591472 FE Annotated Anodyne COC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591476 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591908 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591909 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591911 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591913 FE Annotated Anodyne C[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592488 FE Annotated Anodyne C[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592490 FE Annotated Anodyne C[C@@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592493 FE Annotated Anodyne C[C@]1(CN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592496 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592813 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592814 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592815 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592816 FE Annotated Anodyne CN1CCN(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587593546 FE Annotated Anodyne CN1CCN(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587593547 FE Annotated Anodyne CN1CCN(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587593548 FE Annotated Anodyne CN1CCN(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587593549 FE Annotated Anodyne COC(=O)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594848 FE Annotated Anodyne COC(=O)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594855 FE Annotated Anodyne COC(=O)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594857 FE Annotated Anodyne COC(=O)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594859 FE Annotated Anodyne CN1[C@@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595616 FE Annotated Anodyne CN1[C@@H]2C[C@H](O)[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595617 FE Annotated Anodyne CN1[C@@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595618 FE Annotated Anodyne CN1[C@@H]2C[C@H](O)[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595621 FE Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598303 FE Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598304 FE Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598305 FE Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598307 FE Annotated Anodyne COC(=O)[C@H](OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598855 FE Annotated Anodyne COC(=O)[C@H](OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598860 FE Annotated Anodyne COC(=O)[C@H](OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598862 FE Annotated Anodyne COC(=O)[C@H](OC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598864 FE Annotated Anodyne COC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587599324 FE Annotated Mild COC1=C(OC)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587599325 FE Annotated Mild COC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587599326 FE Annotated Mild COC1=C(OC)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587599327 FE Annotated Mild CCOC(=O)C(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599598 FE Annotated Anodyne CCOC(=O)C(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599600 FE Annotated Anodyne CCOC(=O)C(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599602 FE Annotated Anodyne CCOC(=O)C(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599603 FE Annotated Anodyne O=C(O)CC1(CC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601646 FE Annotated Anodyne O=C(O)CC1(CC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601650 FE Annotated Anodyne O=C(O)CC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603562 FE Annotated Anodyne O=C(O)CC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603563 FE Annotated Anodyne O=C(O)CC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603564 FE Annotated Anodyne O=C(O)CC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603565 FE Annotated Anodyne O=C(O)CCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604108 FE Annotated Anodyne O=C(O)CCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604109 FE Annotated Anodyne O=C(O)CCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604110 FE Annotated Anodyne O=C(O)CCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604111 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCS(=O)(=O)CC2 ZINC000587609823 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCS(=O)(=O)CC2 ZINC000587609826 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCS(=O)(=O)C2 ZINC000587614674 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCS(=O)(=O)C2 ZINC000587614675 FE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCS(=O)(=O)C2 ZINC000587614676 FE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCS(=O)(=O)C2 ZINC000587614677 FE Annotated Anodyne CCOC(=O)[C@@H]1COC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617510 FE Annotated Anodyne CCOC(=O)[C@@H]1COC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617512 FE Annotated Anodyne CCOC(=O)[C@@H]1COC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617515 FE Annotated Anodyne CCOC(=O)[C@@H]1COC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617517 FE Annotated Anodyne COC(=O)[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617917 FE Annotated Anodyne COC(=O)[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617918 FE Annotated Anodyne COC(=O)[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617919 FE Annotated Anodyne COC(=O)[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617920 FE Annotated Anodyne COC1=COC(CO)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617983 FE Annotated Anodyne COC1=COC(CO)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617984 FE Annotated Anodyne COC1=COC(CO)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617985 FE Annotated Anodyne COC1=COC(CO)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617986 FE Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)COCC1=O ZINC000587623381 FE Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631100 FE Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 ZINC000587631580 FE Annotated Anodyne COC(=O)c1nnn(-c2c(C)[nH]c3ccc(F)c(Cl)c23)c1C(=O)OC ZINC000587631753 FE Annotated Anodyne COC(=O)c1nnn(-c2c(C)[nH]c3cc(Cl)c(F)cc23)c1C(=O)OC ZINC000587632546 FE Annotated Anodyne Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587636763 FE Annotated Anodyne Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587636764 FE Annotated Anodyne Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587636765 FE Annotated Anodyne Cc1[nH]c2cccc(F)c2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587636766 FE Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587636969 FE Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587636970 FE Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587636971 FE Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587636972 FE Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1N1C(=O)c2ccccc2C1=O ZINC000587638284 FE Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1c(C)nn(C)c1C ZINC000587638366 FE Annotated Anodyne COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c(C(=O)O)cccc12 ZINC000587639039 FE Annotated Anodyne COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1c(C)nn(C)c1C ZINC000587647343 FE Annotated Bother Cn1cc(C(=O)c2c(-c3cnn(C)c3)[nH]c3cccc([N+](=O)[O-])c23)cn1 ZINC000587647394 FE Annotated Bother Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647397 FE Annotated Bother COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647760 FE Annotated Bother Cn1cc(C(=O)c2c(-c3cnn(C)c3)[nH]c3cc([N+](=O)[O-])ccc23)cn1 ZINC000587647918 FE Annotated Bother COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647979 FE Annotated Bother Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587648081 FE Annotated Bother Cn1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)n1 ZINC000587648962 FE Annotated Anodyne Cn1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)n1 ZINC000587649877 FE Annotated Anodyne Cn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cn1 ZINC000587649898 FE Annotated Anodyne Cn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cn1 ZINC000587650210 FE Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1N1CCOCC1 ZINC000587650257 FE Annotated Anodyne COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650535 FE Annotated Anodyne Cn1ncc(Br)c1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587650642 FE Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1CCCC1 ZINC000587650703 FE Annotated Anodyne COC(=O)c1cccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)n1 ZINC000587650985 FE Annotated Mild O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651256 FE Annotated Bother Cn1nc(C(F)(F)F)cc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651283 FE Annotated Anodyne O=C(Cn1cc(Br)cn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651317 FE Annotated Anodyne Cn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C(F)(F)F ZINC000587651327 FE Annotated Anodyne CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N2CCOCC2)cn1 ZINC000587651376 FE Annotated Anodyne COc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CC(=O)O)ccn1 ZINC000587651427 FE Annotated Anodyne Cn1cc(Br)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651429 FE Annotated Anodyne CCOC(=O)c1c(CN2CCCC2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651599 FE Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)nc2ncnn12 ZINC000587651663 FE Annotated Anodyne O=C(NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1cccc(F)c1 ZINC000587651711 FE Annotated Anodyne NNC(=O)CCCCCCCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651735 FE Annotated Reactive O=C(c1n[nH]cc1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587651743 FE Annotated Anodyne CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1cc(C(=O)O)nn1 ZINC000587651753 FE Annotated Anodyne O=C(c1[nH]nc([N+](=O)[O-])c1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651887 FE Annotated Bother O=C(c1nnc(O)c2ccccc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587652181 FE Annotated Anodyne O=C(COc1ccc2c(c1)OCO2)n1ncc2ccc(Cl)cc2c1=O ZINC000587652311 FE Annotated Anodyne O=C(Cn1nnc(-c2ccccc2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652359 FE Annotated Anodyne Cc1c([N+](=O)[O-])cnn1CCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652362 FE Annotated Bother CC(C)(C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587652441 FE Annotated Bother Cc1nn(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587652452 FE Annotated Bother Cc1nn(C)cc1-c1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)no1 ZINC000587652727 FE Annotated Anodyne CC[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587652744 FE Annotated Bother CC[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587652745 FE Annotated Bother Cc1c(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)no2)cnn1C ZINC000587652762 FE Annotated Anodyne Cc1cc([N+](=O)[O-])nn1CCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652780 FE Annotated Bother Cc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587652859 FE Annotated Bother Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652901 FE Annotated Bother Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652902 FE Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653147 FE Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653150 FE Annotated Bother Cc1nn([C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587653388 FE Annotated Bother Cc1nn([C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587653389 FE Annotated Bother O=C([C@@H]1CCc2nnc(C3CC3)n2C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653595 FE Annotated Anodyne O=C([C@H]1CCc2nnc(C3CC3)n2C1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653596 FE Annotated Anodyne CC(C)(C)OC(=O)NCCNC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653633 FE Annotated Anodyne O=C1C[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1Cc1ccco1 ZINC000587653640 FE Annotated Anodyne O=C1C[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1Cc1ccco1 ZINC000587653645 FE Annotated Anodyne NNC(=O)c1ccc2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 ZINC000587653800 FE Annotated Reactive CS(=O)(=O)c1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587654017 FE Annotated Anodyne O=C1Nc2ccccc2O[C@H]1CC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654593 FE Annotated Anodyne O=C1Nc2ccccc2O[C@@H]1CC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654595 FE Annotated Anodyne CC(C)Cn1[nH]c(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1=O ZINC000587654633 FE Annotated Anodyne C[C@@H]1CN(C[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 ZINC000587654673 FE Annotated Anodyne C[C@H]1CN(C[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 ZINC000587654674 FE Annotated Anodyne C[C@H]1CN(C[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 ZINC000587654675 FE Annotated Anodyne C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654676 FE Annotated Anodyne O=C(C1CCN(c2ncccn2)CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655125 FE Annotated Anodyne CNC(=O)c1c(C)[nH]c(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1C ZINC000587655176 FE Annotated Anodyne O=C(c1cnc(-n2ncc3ccc(Cl)cc3c2=O)nc1)N1CCCC1 ZINC000587655178 FE Annotated Anodyne O=C1COc2ccccc2N1CC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587655197 FE Annotated Anodyne CCc1nnc2n1C[C@H](C(=O)n1ncc3ccc(Cl)cc3c1=O)CC2 ZINC000587655237 FE Annotated Anodyne CCc1nnc2n1C[C@@H](C(=O)n1ncc3ccc(Cl)cc3c1=O)CC2 ZINC000587655238 FE Annotated Anodyne NC(=O)CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655667 FE Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nncc(O)n1 ZINC000587655949 FE Annotated Anodyne O=C([C@@H]1COCCO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656795 FE Annotated Anodyne O=C([C@H]1COCCO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656796 FE Annotated Anodyne Nc1cc(O)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587657338 FE Annotated Anodyne O=C(c1nc[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657716 FE Annotated Anodyne O=C(NC1CC1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658157 FE Annotated Anodyne CS(=O)(=O)CCn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658869 FE Annotated Anodyne CC(C)NC(=O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658983 FE Annotated Anodyne O=C(c1cnn[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659205 FE Annotated Anodyne Cc1nc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)no1 ZINC000587659914 FE Annotated Anodyne O=C([C@@H]1COCCO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659980 FE Annotated Anodyne O=C([C@H]1COCCO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659983 FE Annotated Anodyne Cn1ncc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1N ZINC000587660116 FE Annotated Anodyne O=C1CCCN1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660167 FE Annotated Anodyne O=C(c1ccc(O)nn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660235 FE Annotated Anodyne O=C(CN1CCOCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660256 FE Annotated Anodyne Cn1ncc(N)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660572 FE Annotated Anodyne CN1C[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1=O ZINC000587661093 FE Annotated Anodyne CN1C[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1=O ZINC000587661096 FE Annotated Anodyne CN1CCN(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587661120 FE Annotated Anodyne O=C(C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)N1CCCC1 ZINC000587661460 FE Annotated Anodyne NC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1 ZINC000587661943 FE Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(O)nc(O)n1 ZINC000587661981 FE Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587666027 FE Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)CO)c(=O)c3ccccc23)c(O)c1 ZINC000587666223 FE Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587668508 FE Annotated Reactive CCOc1ccc(-c2nn(C(=O)CO)c(=O)c3ccccc23)cc1OCC ZINC000587671785 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=NN(C)C(=O)[C@@H]2Cl)N1 ZINC000587702481 FE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=NN(C)C(=O)[C@H]2Cl)N1 ZINC000587702484 FE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=NN(C)C(=O)[C@H]2Cl)N1 ZINC000587702487 FE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=NN(C)C(=O)[C@@H]2Cl)N1 ZINC000587702490 FE Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=NN(C)C(=O)[C@@H]2Cl)N1 ZINC000587705309 FE Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=NN(C)C(=O)[C@H]2Cl)N1 ZINC000587705310 FE Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=NN(C)C(=O)[C@H]2Cl)N1 ZINC000587705311 FE Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=NN(C)C(=O)[C@@H]2Cl)N1 ZINC000587705312 FE Annotated Reactive CNc1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587741561 FE Annotated Anodyne CNc1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587741571 FE Annotated Anodyne CNc1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587741573 FE Annotated Anodyne CNc1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587741576 FE Annotated Anodyne COc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 ZINC000587742519 FE Annotated Anodyne COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 ZINC000587742520 FE Annotated Anodyne COc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 ZINC000587742521 FE Annotated Anodyne COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)n1 ZINC000587742522 FE Annotated Anodyne C/C(N)=C1/C(=O)OC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744552 FE Annotated Anodyne C/C(N)=C1\C(=O)OC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744553 FE Annotated Anodyne C/C(N)=C1/C(=O)OC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744554 FE Annotated Anodyne C/C(N)=C1\C(=O)OC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744555 FE Annotated Anodyne CNc1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587745947 FE Annotated Anodyne CNc1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587745949 FE Annotated Anodyne CNc1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587745951 FE Annotated Anodyne CNc1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587745953 FE Annotated Anodyne C/C(N)=C1\C(=O)OC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746834 FE Annotated Anodyne C/C(N)=C1/C(=O)OC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746835 FE Annotated Anodyne C/C(N)=C1/C(=O)OC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746836 FE Annotated Anodyne C/C(N)=C1\C(=O)OC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746837 FE Annotated Anodyne COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 ZINC000587747650 FE Annotated Anodyne COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 ZINC000587747652 FE Annotated Anodyne COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 ZINC000587747654 FE Annotated Anodyne COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)n1 ZINC000587747655 FE Annotated Anodyne C#CCNC(=O)C1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587753884 FE Annotated Mild C#CCNC(=O)C1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587753898 FE Annotated Mild C#CCNC(=O)C1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754750 FE Annotated Mild C#CCNC(=O)C1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754752 FE Annotated Mild COCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587755958 FE Annotated Anodyne COCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587755963 FE Annotated Anodyne COCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587755964 FE Annotated Anodyne COCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587755965 FE Annotated Anodyne COCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587756442 FE Annotated Anodyne COCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587756444 FE Annotated Anodyne COCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587756445 FE Annotated Anodyne COCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587756447 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)CCC2=O)N1 ZINC000587757694 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)CCC2=O)N1 ZINC000587757701 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)CCC2=O)N1 ZINC000587757702 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)CCC2=O)N1 ZINC000587757703 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(CCO)c2)N1 ZINC000587760983 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(CCO)c2)N1 ZINC000587760984 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(CCO)c2)N1 ZINC000587760985 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(CCO)c2)N1 ZINC000587760986 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cnn(C)c2)N1 ZINC000587761295 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cnn(C)c2)N1 ZINC000587761301 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cnn(C)c2)N1 ZINC000587761302 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cnn(C)c2)N1 ZINC000587761303 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)CCC2=O)N1 ZINC000587761848 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)CCC2=O)N1 ZINC000587761850 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)CCC2=O)N1 ZINC000587761851 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)CCC2=O)N1 ZINC000587761852 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(CCO)c2)N1 ZINC000587762420 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(CCO)c2)N1 ZINC000587762421 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(CCO)c2)N1 ZINC000587762422 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(CCO)c2)N1 ZINC000587762423 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cnn(C)c2)N1 ZINC000587764144 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cnn(C)c2)N1 ZINC000587764145 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cnn(C)c2)N1 ZINC000587764146 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cnn(C)c2)N1 ZINC000587764147 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2CCN(C)CC2)N1 ZINC000587764286 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CN2CCN(C)CC2)N1 ZINC000587764287 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2CCN(C)CC2)N1 ZINC000587764288 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CN2CCN(C)CC2)N1 ZINC000587764289 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CNCn3ccc(N)c32)N1 ZINC000587765299 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CNCn3ccc(N)c32)N1 ZINC000587765306 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CNCn3ccc(N)c32)N1 ZINC000587765312 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CNCn3ccc(N)c32)N1 ZINC000587765319 FE Annotated Anodyne C=C1NN(C)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767381 FE Annotated Mild C=C1NN(C)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767385 FE Annotated Mild C=C1NN(C)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767389 FE Annotated Mild C=C1NN(C)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767392 FE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2CCN(C)CC2)N1 ZINC000587767511 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CN2CCN(C)CC2)N1 ZINC000587767512 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CN2CCN(C)CC2)N1 ZINC000587767513 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2CCN(C)CC2)N1 ZINC000587767514 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(N)=O)CC2)N1 ZINC000587768242 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(N)=O)CC2)N1 ZINC000587768243 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CNCn3ccc(N)c32)N1 ZINC000587770865 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CNCn3ccc(N)c32)N1 ZINC000587770866 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CNCn3ccc(N)c32)N1 ZINC000587770867 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CNCn3ccc(N)c32)N1 ZINC000587770868 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(N)=O)CC2)N1 ZINC000587771771 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(N)=O)CC2)N1 ZINC000587771773 FE Annotated Anodyne C=C1NN(C)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773425 FE Annotated Mild C=C1NN(C)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773448 FE Annotated Mild C=C1NN(C)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773452 FE Annotated Mild C=C1NN(C)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773455 FE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(=O)cn2)N1 ZINC000587773708 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(=O)cn2)N1 ZINC000587773709 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(=O)cn2)N1 ZINC000587773710 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(=O)cn2)N1 ZINC000587773711 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(=O)cn2)N1 ZINC000587774184 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(=O)cn2)N1 ZINC000587774185 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(=O)cn2)N1 ZINC000587774186 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(=O)cn2)N1 ZINC000587774187 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C=C2C(N)=O)N1 ZINC000587775124 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C=C2C(N)=O)N1 ZINC000587775125 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C=C2C(N)=O)N1 ZINC000587775126 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C=C2C(N)=O)N1 ZINC000587775127 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C=C2C(N)=O)N1 ZINC000587775455 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C=C2C(N)=O)N1 ZINC000587775456 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C=C2C(N)=O)N1 ZINC000587775457 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C=C2C(N)=O)N1 ZINC000587775458 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)nc2O)N1 ZINC000587776875 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)nc2O)N1 ZINC000587776877 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)nc2O)N1 ZINC000587776878 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)nc2O)N1 ZINC000587776880 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)nc2O)N1 ZINC000587776985 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)nc2O)N1 ZINC000587776986 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)nc2O)N1 ZINC000587776987 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)nc2O)N1 ZINC000587776988 FE Annotated Anodyne CCOC(=O)Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587777826 FE Annotated Anodyne CCOCCOCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587778234 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ncnc2O)N1 ZINC000587779105 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ncnc2O)N1 ZINC000587779106 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ncnc2O)N1 ZINC000587779107 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ncnc2O)N1 ZINC000587779108 FE Annotated Anodyne CCOCCOCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587779269 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ncnc2O)N1 ZINC000587779811 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ncnc2O)N1 ZINC000587779812 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ncnc2O)N1 ZINC000587779813 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ncnc2O)N1 ZINC000587779814 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587781823 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CC(=O)OCc3ccccc3)[nH]c12 ZINC000587782913 FE Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587783356 FE Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(I)cnc2[nH]1 ZINC000587784228 FE Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(O)c1O ZINC000587784581 FE Annotated Clean COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(O)c1O ZINC000587784593 FE Annotated Clean CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](C)CC(=O)OC)[nH]c2c1 ZINC000587785132 FE Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(O)c1O ZINC000587785445 FE Annotated Clean COc1cc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(O)c1O ZINC000587785451 FE Annotated Clean COc1cc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(O)c1O ZINC000587785632 FE Annotated Clean COc1cc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(O)c1O ZINC000587785635 FE Annotated Clean COc1ccc(C)cc1C(=O)CCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587785990 FE Annotated Anodyne COc1cc(-c2nc3nc(Br)c[nH]c-3n2)cc(OC)c1O ZINC000587786889 FE Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587787023 FE Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587787230 FE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](C)CC(=O)OC)[nH]c2c1 ZINC000587787419 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCO[C@H]2C3)N1 ZINC000587789559 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCO[C@H]2C3)N1 ZINC000587789560 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCO[C@H]2C3)N1 ZINC000587789562 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCO[C@H]2C3)N1 ZINC000587789564 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789971 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789975 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789976 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789977 FE Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c1OC ZINC000587789999 FE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791503 FE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791504 FE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791505 FE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587791506 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]32)N1 ZINC000587792995 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]32)N1 ZINC000587792998 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]32)N1 ZINC000587793000 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]32)N1 ZINC000587793004 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN[C@H](C(=O)O)C2)N1 ZINC000587793287 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN[C@H](C(=O)O)C2)N1 ZINC000587793288 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@H](C(=O)O)C2)N1 ZINC000587793289 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@H](C(=O)O)C2)N1 ZINC000587793291 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793882 FE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793884 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793887 FE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793888 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)NC2)N1 ZINC000587794292 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)NC2)N1 ZINC000587794293 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)NC2)N1 ZINC000587794294 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)NC2)N1 ZINC000587794295 FE Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c1OC ZINC000587794633 FE Annotated Anodyne CC1=CC(=O)[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587794709 FE Annotated Mild CC1=CC(=O)[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587794717 FE Annotated Mild CC1=CC(=O)[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587794719 FE Annotated Mild CC1=CC(=O)[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587794720 FE Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN[C@H](C(=O)O)C2)N1 ZINC000587795600 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@H](C(=O)O)C2)N1 ZINC000587795601 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@H](C(=O)O)C2)N1 ZINC000587795602 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN[C@H](C(=O)O)C2)N1 ZINC000587795603 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCO[C@H]2C3)N1 ZINC000587795926 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCO[C@H]2C3)N1 ZINC000587795929 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCO[C@H]2C3)N1 ZINC000587795932 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCO[C@H]2C3)N1 ZINC000587795935 FE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587797238 FE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587797239 FE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587797241 FE Annotated Anodyne COC(=O)[C@@H]1CNCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587797243 FE Annotated Anodyne CC1=CC(=O)[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587797407 FE Annotated Mild CC1=CC(=O)[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587797409 FE Annotated Mild CC1=CC(=O)[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587797411 FE Annotated Mild CC1=CC(=O)[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587797412 FE Annotated Mild COc1ccc(C=O)c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1OC ZINC000587797705 FE Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797720 FE Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797726 FE Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797963 FE Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797966 FE Annotated Anodyne CCOC(=O)C(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798930 FE Annotated Anodyne CCOC(=O)C(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798931 FE Annotated Anodyne CCOC(=O)C(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798932 FE Annotated Anodyne CCOC(=O)C(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798933 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)NC2)N1 ZINC000587799422 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)NC2)N1 ZINC000587799423 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)NC2)N1 ZINC000587799424 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)NC2)N1 ZINC000587799425 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@H]32)N1 ZINC000587799794 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@@H](C(=O)O)[C@@H]32)N1 ZINC000587799795 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@H]32)N1 ZINC000587799796 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN[C@H](C(=O)O)[C@@H]32)N1 ZINC000587799797 FE Annotated Anodyne CCOC(=O)C(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800436 FE Annotated Anodyne CCOC(=O)C(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800437 FE Annotated Anodyne CCOC(=O)C(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800438 FE Annotated Anodyne CCOC(=O)C(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800439 FE Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800810 FE Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800811 FE Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800812 FE Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800813 FE Annotated Anodyne COC(=O)[C@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803376 FE Annotated Anodyne COC(=O)[C@@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803377 FE Annotated Anodyne COC(=O)[C@@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803378 FE Annotated Anodyne COC(=O)[C@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803380 FE Annotated Anodyne COC(=O)C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804285 FE Annotated Anodyne COC(=O)C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804286 FE Annotated Anodyne COC(=O)C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804287 FE Annotated Anodyne COC(=O)C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804288 FE Annotated Anodyne COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587805970 FE Annotated Mild COC1=C(OC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587805975 FE Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587806247 FE Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587806249 FE Annotated Mild COC(=O)C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806610 FE Annotated Anodyne COC(=O)C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806612 FE Annotated Anodyne COC(=O)C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806614 FE Annotated Anodyne COC(=O)C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806616 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809071 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809080 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809082 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809083 FE Annotated Anodyne COC(=O)[C@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809147 FE Annotated Anodyne COC(=O)[C@@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809148 FE Annotated Anodyne COC(=O)[C@@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809149 FE Annotated Anodyne COC(=O)[C@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809150 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810222 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810223 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810224 FE Annotated Anodyne COC(=O)[C@](C)(O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810225 FE Annotated Anodyne COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587811966 FE Annotated Mild COC1=C(OC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587811968 FE Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587811970 FE Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587811972 FE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C(CC(=O)O)(CC(=O)O)N1 ZINC000587824897 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(CC(=O)O)(CC(=O)O)N1 ZINC000587824898 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C(=O)O)N1 ZINC000587825765 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(C(=O)O)N1 ZINC000587825767 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C(=O)O)N1 ZINC000587825768 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(C(=O)O)N1 ZINC000587825769 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC(=O)C2)N1 ZINC000587828860 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC(=O)C2)N1 ZINC000587828861 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OC(=O)C2)N1 ZINC000587828862 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OC(=O)C2)N1 ZINC000587828863 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(CC(=O)O)(CC(=O)O)N1 ZINC000587829131 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(CC(=O)O)(CC(=O)O)N1 ZINC000587829133 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C(=O)O)N1 ZINC000587829134 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(C(=O)O)N1 ZINC000587829136 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C(=O)O)N1 ZINC000587829138 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(C(=O)O)N1 ZINC000587829140 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC(=O)C2)N1 ZINC000587829262 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC(=O)C2)N1 ZINC000587829263 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OC(=O)C2)N1 ZINC000587829265 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OC(=O)C2)N1 ZINC000587829267 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833982 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833986 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833988 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833989 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836655 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836656 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836657 FE Annotated Anodyne COC(=O)[C@@H]1COC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836658 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(C)(=O)=O)N1 ZINC000587849462 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(C)(=O)=O)N1 ZINC000587849463 FE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(C)(=O)=O)N1 ZINC000587849464 FE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(C)(=O)=O)N1 ZINC000587849465 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(C)(=O)=O)N1 ZINC000587850484 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(C)(=O)=O)N1 ZINC000587850485 FE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(C)(=O)=O)N1 ZINC000587850486 FE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(C)(=O)=O)N1 ZINC000587850487 FE Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NC(=O)C(=O)N1 ZINC000587860438 FE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)NC1CC1 ZINC000587861689 FE Annotated Anodyne CNC(=O)CNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863432 FE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CS(C)(=O)=O ZINC000587863517 FE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(S)n1N ZINC000587863596 FE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCC(=O)NN ZINC000587864211 FE Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(=O)n(C)c(O)n1 ZINC000587864322 FE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCS(N)(=O)=O ZINC000587866052 FE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnnn1 ZINC000587866590 FE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCC(N)=O ZINC000587866777 FE Annotated Anodyne C=C1NN=C(n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)NC1=O ZINC000587867158 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)nn1 ZINC000587867506 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(N)nc1 ZINC000587867525 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)NC(C)C ZINC000587867533 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(N)cc(O)n1 ZINC000587867770 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(O)nc(O)n1 ZINC000587867785 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(C)c(O)n1 ZINC000587868165 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnc(N)c1 ZINC000587868169 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1COCCO1 ZINC000587868425 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1COCCO1 ZINC000587868426 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(C)n1 ZINC000587868504 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nccn1C ZINC000587868716 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1noc(C)n1 ZINC000587868790 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(C)c1 ZINC000587869087 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnn1C ZINC000587869092 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000587869110 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000587869111 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccn(C)c1=O ZINC000587869138 FE Annotated Anodyne COCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869612 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N1CCOCC1 ZINC000587869674 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCN1CCOCC1 ZINC000587869786 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCCC1=O ZINC000587869846 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2nncn2n1 ZINC000587869880 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000587869941 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000587869942 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N1CCOCC1 ZINC000587870022 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)N1CCCC1 ZINC000587870078 FE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N1CCN(C)CC1 ZINC000587870266 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(O)nc(O)n1 ZINC000587870741 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000587871943 FE Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)cc1C(=O)O ZINC000587871988 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1CCN(C)CC1 ZINC000587872020 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)c2cnn(C)c2n1 ZINC000587872357 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000587872407 FE Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 ZINC000587872506 FE Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(C(=O)OC)cn1 ZINC000587872684 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000587872774 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000587872777 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCN1C(=O)C=CC1=O ZINC000587873366 FE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000587873440 FE Annotated Anodyne NNC(=O)c1cc(Cl)cc(C(=O)n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587873711 FE Annotated Reactive COc1nn(CC(=O)n2nc3cc2oc2ccc(F)cc32)cc1[N+](=O)[O-] ZINC000587874499 FE Annotated Bother CS(=O)(=O)N1CCC[C@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587874856 FE Annotated Anodyne CS(=O)(=O)N1CCC[C@@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587874859 FE Annotated Anodyne CS(=O)(=O)N1CCC(C(=O)n2nc3cc2oc2ccc(F)cc32)CC1 ZINC000587874899 FE Annotated Anodyne CC1(C)NC(=O)N(CCC(=O)n2nc3cc2oc2ccc(F)cc32)C1=O ZINC000587875710 FE Annotated Anodyne NNC(=O)CCSCCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876636 FE Annotated Reactive NS(=O)(=O)c1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876730 FE Annotated Anodyne Fc1ccc2oc3cc(nn3C(=S)NCCCN3CCOCC3)c2c1 ZINC000587877050 FE Annotated Anodyne CCOC(=O)NN/C=C\C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877174 FE Annotated Reactive CCOC(=O)NN/C=C/C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877178 FE Annotated Reactive N=c1cc(CO)[nH]cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887487 FE Annotated Mild N#Cc1cc(N)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887518 FE Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[n+]([O-])c1 ZINC000587887873 FE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2nc[nH]c2n1 ZINC000587889544 FE Annotated Mild COc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587889733 FE Annotated Mild C#Cc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587889889 FE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2n1CCNC2 ZINC000587890417 FE Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2cnnc12 ZINC000587890616 FE Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[n+]([O-])c1 ZINC000587890698 FE Annotated Mild Nc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2n1 ZINC000587890738 FE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2nncn2c1 ZINC000587891081 FE Annotated Mild Nc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccn2n1 ZINC000587891177 FE Annotated Mild Nc1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ncc2n1 ZINC000587891297 FE Annotated Mild N=c1c(F)c[nH]c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587895066 FE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCC1=CCS(=O)(=O)C1 ZINC000587896160 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@@H](C)C(=O)NN)c1C ZINC000587902781 FE Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@H](C)C(=O)NN)c1C ZINC000587902782 FE Annotated Reactive CNc1nc(OC)c(C(=O)OC)cc1C#Cc1cc(Cl)ccc1OC ZINC000587903178 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCN(CCO)CC2)nc1 ZINC000587908457 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(C(=O)O)nn2)c1 ZINC000587908926 FE Annotated Mild C=C1C=C(n2cc(C#Cc3cc(Cl)ccc3OC)cn2)N2NC=NC2=N1 ZINC000587909204 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000587909227 FE Annotated Mild CCn1cc(C#Cc2cc(Cl)ccc2OC)c(C(=O)N2CCNCC2)n1 ZINC000587909640 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cn2ccc(C(=O)O)n2)c1 ZINC000587909682 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1c[n+]([O-])c(N)c(Br)n1 ZINC000587910780 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)c[n+]([O-])c1N ZINC000587910898 FE Annotated Mild CCOC(=O)c1c[nH]c2c(C#Cc3cc(Cl)ccc3OC)cnn2c1=O ZINC000587911691 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(C(=O)NN)cn2c1 ZINC000587912354 FE Annotated Reactive C=C1NC=C(C#Cc2cc(Cl)ccc2OC)C(=O)N1Cc1nonc1C ZINC000587912624 FE Annotated Mild COc1ccc(Cl)cc1C#CC1=C(Br)C(=O)N(C)C1=O ZINC000587912673 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1cncn(Cc2nc(C)no2)c1=O ZINC000587912764 FE Annotated Mild C=C1NC(=O)C(C#Cc2cc(Cl)ccc2OC)=CN1Cc1nc(C)no1 ZINC000587912775 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1cncn(Cc2noc(C)n2)c1=O ZINC000587912814 FE Annotated Mild C=C1NC=C(C#Cc2cc(Cl)ccc2OC)C(=O)N1Cc1nc(C)no1 ZINC000587912864 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)F)nn(CC(=O)NN)c1C ZINC000587914731 FE Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C(=O)NN)nn(C)c1C(F)(F)F ZINC000587915284 FE Annotated Reactive COc1ccc(Cl)cc1C#Cc1sc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000587918131 FE Annotated Mild COc1ccc(C#Cc2cc(Cl)ccc2OC)c(S(N)(=O)=O)c1 ZINC000587918441 FE Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(S)n(N)c(=O)c2c1 ZINC000587918723 FE Annotated Mild CCN(c1ccc(-c2csc(-c3c[nH]nc3N)n2)cc1)S(C)(=O)=O ZINC000587922870 FE Annotated Anodyne CCN(c1ccc(-c2csc(CC(N)=S)n2)cc1)S(C)(=O)=O ZINC000587923058 FE Annotated Anodyne CCN(c1ccc(-c2csc(CC(=O)OC)n2)cc1)S(C)(=O)=O ZINC000587923383 FE Annotated Anodyne CCOC(=O)Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923692 FE Annotated Anodyne CN(c1ccc(-c2csc(-c3cncnc3N)n2)cc1)S(C)(=O)=O ZINC000587923704 FE Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1OC ZINC000587928242 FE Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587935275 FE Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587935280 FE Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587935281 FE Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587935282 FE Annotated Anodyne CN1CCN(c2ccc(-n3c(O)ccc3O)cc2Br)CC1 ZINC000587935934 FE Annotated Anodyne O=C(O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587936172 FE Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587936273 FE Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587936280 FE Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587936282 FE Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587936283 FE Annotated Anodyne O=C(O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587937859 FE Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000587938584 FE Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000587938585 FE Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000587938586 FE Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000587938587 FE Annotated Anodyne Cc1c(C)c(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587938990 FE Annotated Anodyne O=C(O)CCc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587939428 FE Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2cnc(C)c(Br)n2)c1OC ZINC000587939888 FE Annotated Anodyne CCOc1ccc(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940283 FE Annotated Anodyne COc1ccc(OC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940579 FE Annotated Anodyne CC(=O)SCc1cc(O)n(-c2c[nH]cc(Br)c2=O)c1O ZINC000587940713 FE Annotated Anodyne O=C(O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587940715 FE Annotated Anodyne COC(=O)c1cc(OC)n(-c2cnc(C)c(Br)n2)c1OC ZINC000587940820 FE Annotated Anodyne COc1cc(C)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940953 FE Annotated Anodyne CCOc1cc(-n2c(O)cc(CC(=O)O)c2O)c(Cl)cc1C(=O)O ZINC000587941742 FE Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2ccnc(Br)c2)c1OC ZINC000587941969 FE Annotated Anodyne COc1cc(C#N)c(OC)n1-c1cc(C(=O)O)ncc1Br ZINC000587942088 FE Annotated Mild COc1c(C)cc(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587942152 FE Annotated Anodyne O=C1Cc2c3c(n(-c4cc(F)c(Br)cc4F)c2O1)OC(=O)C3 ZINC000587943703 FE Annotated Anodyne COC(=O)c1cc(OC)n(-c2nc(N3CCCCC3)ncc2F)c1OC ZINC000587944308 FE Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c2c(c3c1OC(=O)C3)CC(=O)O2 ZINC000587944794 FE Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c2c(c3c1OC(=O)C3)CC(=O)O2 ZINC000587944802 FE Annotated Anodyne Cc1cc(-n2c3c(c4c2OC(=O)C4)CC(=O)O3)nn1Cc1ccccc1F ZINC000587945653 FE Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OC ZINC000587946199 FE Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cccc(S(N)(=O)=O)c3[nH]1)CC2 ZINC000587946807 FE Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cccc(S(N)(=O)=O)c3[nH]1)CC2 ZINC000587946816 FE Annotated Anodyne O=C(O)CCc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587947411 FE Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(=O)NN)cc4[nH]1)(C3)C2 ZINC000587949993 FE Annotated Reactive CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4nc(C#N)c(C#N)nc4[nH]1)(C3)C2 ZINC000587950606 FE Annotated Mild CO[C@@H](C)COC1CCC(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC1 ZINC000587951929 FE Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC1 ZINC000587951930 FE Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 ZINC000587952209 FE Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 ZINC000587952210 FE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 ZINC000587959398 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c12 ZINC000587959944 FE Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1)N1CCOCC1 ZINC000587967955 FE Annotated Anodyne Nc1ccc(Oc2ccc3nc(C4[C@H](C(=O)O)[C@H]4C(=O)O)[nH]c3c2)cc1 ZINC000587969794 FE Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)cc1 ZINC000587969795 FE Annotated Clean Nc1ccc(Oc2ccc3nc([C@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)cc1 ZINC000587969796 FE Annotated Clean CN(C)S(=O)(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 ZINC000587969994 FE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 ZINC000587970140 FE Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587970431 FE Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970432 FE Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970433 FE Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1C ZINC000587970511 FE Annotated Anodyne Cc1c(Br)cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1C ZINC000587970512 FE Annotated Anodyne Cc1c(Br)cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1C ZINC000587970513 FE Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587971003 FE Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H]1C(=O)O ZINC000587971004 FE Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H]1C(=O)O ZINC000587971005 FE Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587971158 FE Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H]1C(=O)O ZINC000587971159 FE Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H]1C(=O)O ZINC000587971160 FE Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587971203 FE Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]1C(=O)O ZINC000587971204 FE Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]1C(=O)O ZINC000587971205 FE Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1 ZINC000587971264 FE Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 ZINC000587971265 FE Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 ZINC000587971266 FE Annotated Anodyne CN(C)CCNC(=O)COc1ccc(-c2ncc(-c3ccncc3)o2)cc1 ZINC000059047010 FE Annotated Anodyne in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000059066632 FE Annotated Mild in-vitro biogenic COC1=C[C@@]23CCN(C)[C@@H](CC2=CC1=O)Cc1cc(O)c(OC)c(OC)c13 ZINC000059066648 FE Annotated Mild in-vitro CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2[C@@H]1O)OCO4)OCO3 ZINC000059066845 FE Annotated Anodyne in-vitro CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2[C@H]1O)OCO4)OCO3 ZINC000059066848 FE Annotated Anodyne in-vitro CCCCCCCC1=C(CO)[C@@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O ZINC000059085408 FE Annotated Mild Cc1[nH]c2ccccc2c1C1=C(C(=O)N2CCCCC2)C(=O)N(C)C1=O ZINC000059086576 FE Annotated Anodyne OC[C@H]1C[C@H](Nc2nc(-c3cc(F)ccc3O)nc3ccccc23)CN1 ZINC000059287702 FE Annotated Anodyne OCC1CCN(c2ncc3c(n2)CCC[C@@H]3NCc2cccnc2)CC1 ZINC000059299978 FE Annotated Anodyne OCC1CCN(c2ncc3c(n2)CCC[C@H]3NCc2cccnc2)CC1 ZINC000059299979 FE Annotated Anodyne O=C1O[C@@H]2CN(Cc3cccc4c3OCO4)C[C@@H]2N1Cc1ccccn1 ZINC000059311803 FE Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000059338503 FE Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000059338516 FE Annotated Anodyne C[C@@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)cc3n21 ZINC000059536841 FE Annotated Anodyne C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)cc3n21 ZINC000059536843 FE Annotated Anodyne C[C@@]1([C@@H](O)CO)C=C2CC[C@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@H]2CC1 ZINC000059586254 FE Annotated Anodyne in-vitro biogenic COC1=C(O)CCC([C@H]2c3cc(O)c(OC)cc3C[C@@H](CO)[C@@H]2CO)=C1 ZINC000059586731 FE Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C(=C/CO)C(=O)O ZINC000059587206 FE Annotated Mild in-vitro biogenic C=C1CC[C@@]2(C)[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)OC[C@H]1O ZINC000059587356 FE Annotated Mild in-vitro biogenic C[C@]1([C@@H](O)CO)CC[C@H]2C(=CC[C@H]3[C@](C)(C(=O)O)[C@@H](O)CC[C@]23C)C1 ZINC000059587424 FE Annotated Anodyne in-vitro biogenic O=C1CC[C@@H]2[C@H]3C[C@H]4[C@]5(CC[N+]4([O-])C/C3=C/CO)c3ccccc3N1[C@H]25 ZINC000059587520 FE Annotated Bother in-vitro biogenic CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1OCc1ccccc1 ZINC000059790685 FE Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1OCc1ccccc1 ZINC000059790689 FE Annotated Anodyne COC(=O)CNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 ZINC000059796383 FE Annotated Clean COC(=O)CNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000059796385 FE Annotated Clean CC(C)CCn1nnnc1[C@@H](c1ccccc1F)N1CCC(C(N)=O)CC1 ZINC000059807927 FE Annotated Anodyne CC(C)CCn1nnnc1[C@H](c1ccccc1F)N1CCC(C(N)=O)CC1 ZINC000059807928 FE Annotated Anodyne CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccoc2)cc1 ZINC000059919765 FE Annotated Anodyne CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)cc1 ZINC000059919770 FE Annotated Anodyne COCCn1nnnc1[C@H](CC(C)C)N1CCN(c2ccccc2)CC1 ZINC000059938782 FE Annotated Anodyne COCCn1nnnc1[C@@H](CC(C)C)N1CCN(c2ccccc2)CC1 ZINC000059938783 FE Annotated Anodyne CC(C)CCn1nnnc1[C@@H](c1ccccc1)N1CCC(C(N)=O)CC1 ZINC000059946947 FE Annotated Anodyne CC(C)CCn1nnnc1[C@H](c1ccccc1)N1CCC(C(N)=O)CC1 ZINC000059946948 FE Annotated Anodyne O=C1c2ccccc2C(=O)c2c(OC[C@@H]3CO3)ccc(OC[C@@H]3CO3)c21 ZINC000006005535 FE Annotated Clean O=C1c2ccccc2C(=O)c2c(OC[C@H]3CO3)ccc(OC[C@H]3CO3)c21 ZINC000006005543 FE Annotated Clean COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H]1CCO[C@@H]1O3 ZINC000006017665 FE Annotated Clean COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCC(=O)O)cc3O2)cc1O ZINC000006018543 FE Annotated Anodyne COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)O)cc3O2)cc1O ZINC000006018551 FE Annotated Anodyne O=C1N[C@H]2C(=O)c3c(Br)sc(Br)c3[C@H]2N1 ZINC000006019281 FE Annotated Anodyne NNC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006041392 FE Annotated Reactive N#Cc1ccc(OCC(=O)N/N=C(\CCC(=O)O)c2cccs2)cc1 ZINC000006052948 FE Annotated Reactive Cc1ccc(-n2c(O)c(/C=N/N3CCCCCC3)c(=O)[nH]c2=O)cc1C ZINC000006065561 FE Annotated Mild O=C(O)C[C@H]1OCC=C2CN3CC[C@]45c6ccccc6N[C@@H]4[C@H]1[C@H]2C[C@H]35 ZINC000006080201 FE Annotated Anodyne COc1ccc(N2C(=O)CS/C2=N\N=C2\C(=O)Nc3ccccc32)cc1 ZINC000006182008 FE Annotated Mild CC1=CN2C(=O)[C@](NC(=O)COc3ccccc3)(C(F)(F)F)N=C2S1 ZINC000006272891 FE Annotated Anodyne CC1=CN2C(=O)[C@@](NC(=O)COc3ccccc3)(C(F)(F)F)N=C2S1 ZINC000006272892 FE Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C(N)N)cc1OC ZINC000006373170 FE Annotated Mild CCCc1c(Sc2cc(C)cc(C)c2)n(OCCCO)c(=O)[nH]c1=O ZINC000006381482 FE Annotated Anodyne CCOC(=O)c1cc(COC)cn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000006403680 FE Annotated Anodyne CCOC(=O)c1cc([C@@H](C)O)cn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000006403681 FE Annotated Anodyne CCOC(=O)c1cc([C@H](C)O)cn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000006403682 FE Annotated Anodyne COc1cc([C@@H](O)C(=O)c2cnc3cc([N+](=O)[O-])ccc3n2)ccc1O ZINC000006403706 FE Annotated Bother C[C@]12C(=O)OC[C@H](c3ccccc3)N1C(=O)N(Cc1ccccc1)[C@@H]2CO ZINC000006442449 FE Annotated Anodyne C[C@H]1CCC[C@@]2(O1)O[C@H]1CC(=O)O[C@@H]1C1=C2C(=O)c2ccccc2C1=O ZINC000006481121 FE Annotated Mild COC(=O)C1=CC[C@H]2[C@H](C(=O)OC)CC[C@]2(C)CC(O)=C1C(=O)OC ZINC000006482767 FE Annotated Anodyne C[S@](=O)(=NC(N)=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000060168507 FE Annotated Bother C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C(=C/C(=O)O)C(=O)O ZINC000060273342 FE Annotated Mild CC(C)[C@H]1/C=C/[C@@](C)(O)CC[C@@H](O)[C@](C)(O)C[C@H]2C=C(CC1)C(=O)O2 ZINC000060288623 FE Annotated Anodyne Cn1cc(-c2cnn3c(N)c(-c4ccncc4)c([C@@H]4CCCNC4)nc23)cn1 ZINC000060327274 FE Annotated Anodyne Cn1cc(-c2cnn3c(N)c(-c4ccncc4)c([C@H]4CCCNC4)nc23)cn1 ZINC000060327275 FE Annotated Anodyne Cn1cc(-c2cnn3c(N)c(-c4cccnc4)c([C@@H]4CCCNC4)nc23)cn1 ZINC000060327544 FE Annotated Anodyne Cn1cc(-c2cnn3c(N)c(-c4cccnc4)c([C@H]4CCCNC4)nc23)cn1 ZINC000060327545 FE Annotated Anodyne COc1cccc(-c2ccccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 ZINC000060329487 FE Annotated Anodyne Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)NCCCN1CCOCC1)N2 ZINC000061691670 FE Annotated Clean Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)NCCCN1CCOCC1)N2 ZINC000061691673 FE Annotated Clean NNC(=O)C1=CC(=C2C=CC(=O)C=C2)Nc2ccc(Br)cc21 ZINC000061872251 FE Annotated Reactive COc1cc(-c2cc3nc(NCCN(C)C)ccn3n2)cc(OC)c1OC ZINC000061895521 FE Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061895553 FE Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061895808 FE Annotated Anodyne O=C(Nc1cccc(Cl)c1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061895929 FE Annotated Anodyne CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)NCCN(C)C)cn12 ZINC000061896539 FE Annotated Anodyne COCCNC(=O)c1sc(=O)n(Cc2ccc(SC)cc2)c1C ZINC000061896738 FE Annotated Anodyne COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NCCC#N)sc1=O ZINC000061896789 FE Annotated Mild COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000061896845 FE Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000061896846 FE Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@]2(C)CCN2C(=O)c2ccccc2)nc1 ZINC000061897697 FE Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)[C@@]2(C)CCN2C(=O)c2ccccc2)nc1 ZINC000061897699 FE Annotated Mild CCCCNC(=O)[C@]1(C)CCN1C(=O)c1cncc(Br)c1 ZINC000061897804 FE Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1cncc(Br)c1 ZINC000061897807 FE Annotated Anodyne CC(C)C[C@H](N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 ZINC000061898148 FE Annotated Anodyne CC(C)C[C@@H](N)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 ZINC000061898149 FE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cccc(C)c2C)C1 ZINC000061902696 FE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cccc(C)c2C)C1 ZINC000061902697 FE Annotated Anodyne CCCC(=O)N1CC[C@@]1(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000061902723 FE Annotated Anodyne CCCC(=O)N1CC[C@]1(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000061902724 FE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2)cc1 ZINC000061902856 FE Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2)cc1 ZINC000061902857 FE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1CCCCC1 ZINC000061903664 FE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1CCCCC1 ZINC000061903665 FE Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(CC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000061904098 FE Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(CC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000061904099 FE Annotated Anodyne CCC(=O)N1CC[C@@](C)(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000061904176 FE Annotated Anodyne CCC(=O)N1CC[C@](C)(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000061904177 FE Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cc(C(C)(C)C)nn2C)nn1C ZINC000061904393 FE Annotated Anodyne Cc1cc(C(=O)N2CC[C@]2(C)C(=O)Nc2cc(C(C)(C)C)nn2C)nn1C ZINC000061904394 FE Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC000061904460 FE Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC000061904461 FE Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000061904975 FE Annotated Anodyne COCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000061904976 FE Annotated Anodyne Nc1ncnc2c1ccn2[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H](CO)O1 ZINC000061905752 FE Annotated Anodyne COc1cc(NC(=O)[C@]2(C)CCN2C(=O)C(C)C)cc(OC)c1OC ZINC000061906157 FE Annotated Anodyne COc1cc(NC(=O)[C@@]2(C)CCN2C(=O)C(C)C)cc(OC)c1OC ZINC000061906158 FE Annotated Anodyne CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N(C)CCN(C)C)cn12 ZINC000061906252 FE Annotated Anodyne OC[C@H]1O[C@H](c2nc(-c3nc(-c4cccs4)no3)cs2)C[C@@H]1O ZINC000061906321 FE Annotated Anodyne CC(C)CNC(=O)[C@]1(C)CCCN1Cc1ccc(S(C)(=O)=O)cc1 ZINC000061906403 FE Annotated Anodyne CC(C)CNC(=O)[C@@]1(C)CCCN1Cc1ccc(S(C)(=O)=O)cc1 ZINC000061906404 FE Annotated Anodyne O=C(Nc1cccc(Cl)c1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061906760 FE Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(Cc2noc(-c3ccccc3OC)n2)C1 ZINC000061906783 FE Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(Cc2noc(-c3ccccc3OC)n2)C1 ZINC000061906784 FE Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(Cc2cc(-c3ccccc3)n(C)n2)C1 ZINC000061906905 FE Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(Cc2cc(-c3ccccc3)n(C)n2)C1 ZINC000061906906 FE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)CC1CCCC1 ZINC000061907019 FE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)CC1CCCC1 ZINC000061907020 FE Annotated Anodyne CCCCN(C=O)c1c(CC)nc2ccc(C(=O)N3CCN(C)CC3)cn12 ZINC000061907169 FE Annotated Anodyne O=C(Nc1cccc(Cl)c1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061907198 FE Annotated Anodyne CCC(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)c2ccccc2Cl)C1 ZINC000061907399 FE Annotated Anodyne CCC(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)c2ccccc2Cl)C1 ZINC000061907400 FE Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)N2CCN(C)CC2)O3)c1 ZINC000061907559 FE Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)N2CCN(C)CC2)O3)c1 ZINC000061907560 FE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2sccc2C)C1 ZINC000061907818 FE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2sccc2C)C1 ZINC000061907819 FE Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061907872 FE Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061907873 FE Annotated Anodyne COCCNC(=O)[C@]1(C)Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 ZINC000061908187 FE Annotated Anodyne COCCNC(=O)[C@@]1(C)Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 ZINC000061908188 FE Annotated Anodyne CCN(CC)CCN1CCN(c2cncc(-c3cccc(N)c3)n2)CC1 ZINC000061908691 FE Annotated Anodyne COc1ccc(C(C)=O)cc1Cn1c(C)c(C(=O)NC2CC2)sc1=O ZINC000061908779 FE Annotated Anodyne O=C(NCC1CCCCC1)c1ccc2[nH]c([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061908914 FE Annotated Anodyne CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1ccc(OC)cc1c2=O ZINC000061921369 FE Annotated Anodyne CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1ccc(OC)cc1c2=O ZINC000061921370 FE Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CC2)CC(C(=O)N(CC)CC)=C1C ZINC000061921502 FE Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CC2)CC(C(=O)N(CC)CC)=C1C ZINC000061921504 FE Annotated Anodyne COc1cc(NCCCn2cnc3c(OC)ncnc32)cc(OC)c1OC ZINC000061922663 FE Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N(C)C)=C1C ZINC000061923395 FE Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N(C)C)=C1C ZINC000061923398 FE Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccco2)O3)c1 ZINC000061925725 FE Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccco2)O3)c1 ZINC000061925726 FE Annotated Anodyne COc1ncccc1-c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1 ZINC000061925915 FE Annotated Anodyne COCCNC(=O)[C@@]1(C)Cc2c(-c3ccc(N(C)C)cc3)ccnc2O1 ZINC000061926399 FE Annotated Anodyne COCCNC(=O)[C@]1(C)Cc2c(-c3ccc(N(C)C)cc3)ccnc2O1 ZINC000061926400 FE Annotated Anodyne O=C(Nc1cccc(Cl)c1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061926440 FE Annotated Anodyne CCCCN(C)c1c(C)nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn12 ZINC000061927152 FE Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(Cc2noc(-c3ccccc3OC)n2)C1 ZINC000061927162 FE Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(Cc2noc(-c3ccccc3OC)n2)C1 ZINC000061927163 FE Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061927196 FE Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061927197 FE Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)c1cccc2ccccc12 ZINC000061928119 FE Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000061928724 FE Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(CCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000061928726 FE Annotated Anodyne O=C(NCc1ccco1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061929072 FE Annotated Anodyne COc1cccc(CN2CC[C@]2(C)C(=O)NCCc2ccccn2)c1OC ZINC000061929104 FE Annotated Anodyne COc1cccc(CN2CC[C@@]2(C)C(=O)NCCc2ccccn2)c1OC ZINC000061929106 FE Annotated Anodyne Cc1cccc(-c2noc(-c3csc([C@@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)c1 ZINC000061929165 FE Annotated Anodyne COc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)ON=C1c1ccccn1 ZINC000061930189 FE Annotated Anodyne COc1ccc(C(C)=O)cc1CN1C(=O)[C@H](C)ON=C1c1ccccn1 ZINC000061930191 FE Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1 ZINC000061930302 FE Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(Cc2noc(-c3c(C)noc3C)n2)C1 ZINC000061930304 FE Annotated Anodyne C[C@]1(C(=O)NCC2CC2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061930885 FE Annotated Anodyne C[C@@]1(C(=O)NCC2CC2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061930886 FE Annotated Anodyne COc1cc(C=O)ccc1OCc1cn(CC(=O)c2ccc(O)cc2)nn1 ZINC000061931016 FE Annotated Anodyne COc1ccc(C=O)c(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)c1 ZINC000061931027 FE Annotated Anodyne O=C(Cn1cc(COc2ccccc2[N+](=O)[O-])nn1)c1ccc(O)cc1 ZINC000061931053 FE Annotated Bother Cc1ccc(NC(=O)c2ncn(CCCNCCCN(C)C)n2)cc1C ZINC000061936017 FE Annotated Anodyne Cc1ccc(NC(=O)c2ncn(CCCNC[C@@H]3CCCO3)n2)cc1C ZINC000061936055 FE Annotated Anodyne Cc1ccc(NC(=O)c2ncn(CCCNC[C@H]3CCCO3)n2)cc1C ZINC000061936057 FE Annotated Anodyne N#C[C@H]1c2ccccc2-n2nncc2CN1S(=O)(=O)c1ccccc1 ZINC000061942518 FE Annotated Mild N#C[C@@H]1c2ccccc2-n2nncc2CN1S(=O)(=O)c1ccccc1 ZINC000061942520 FE Annotated Mild Cc1ccc(S(=O)(=O)N2Cc3cnnn3-c3ccccc3[C@@H]2C#N)cc1 ZINC000061942522 FE Annotated Mild Cc1ccc(S(=O)(=O)N2Cc3cnnn3-c3ccccc3[C@H]2C#N)cc1 ZINC000061942523 FE Annotated Mild CC(C)(C)OC(=O)N[C@H]1C=C[C@H](OC(=O)CC(=O)OCC(F)(F)F)C1 ZINC000061943183 FE Annotated Anodyne CCN([C@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br ZINC000061944690 FE Annotated Anodyne C[C@H]1O[C@@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O ZINC000061944999 FE Annotated Anodyne C[C@@H]1O[C@@H](O[C@@H](c2ccccc2)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O ZINC000061945002 FE Annotated Anodyne Cc1ccc(CNC(=O)Cn2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)o1 ZINC000061945214 FE Annotated Anodyne Cc1ccc(NC(=O)c2ncn(CC(=O)NCc3ccccc3)n2)cc1C ZINC000061945216 FE Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](OC(=O)CC(=O)OCC(F)(F)F)C1 ZINC000061947080 FE Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@H]1c1ccc(F)c(Cl)c1 ZINC000061958827 FE Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958831 FE Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000061958851 FE Annotated Anodyne CCOC(=O)C1=CN(CC)S(=O)(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000061958853 FE Annotated Anodyne CC1=NC(=S)N[C@@H](c2ccc(OCC(N)=O)cc2)/C1=C(/O)OC(C)C ZINC000617978019 FE Annotated Anodyne CC1=NC(=S)N[C@H](c2ccc(OCC(N)=O)cc2)/C1=C(/O)OC(C)C ZINC000617978020 FE Annotated Anodyne C=C1[C@H]2O[C@@H](OC(=O)CC(C)C)[C@H]3[C@H]1C[C@H](OC(C)=O)[C@@]3(CCl)O2 ZINC000618006191 FE Annotated Reactive C=C1[C@H]2O[C@H](OC(=O)CC(C)C)[C@H]3[C@H]1C[C@@H](OC(C)=O)[C@@]3(CCl)O2 ZINC000618006196 FE Annotated Reactive C=C1[C@H]2O[C@@H](OC(=O)CC(C)C)[C@H]3[C@H]1C[C@@H](OC(C)=O)[C@@]3(CCl)O2 ZINC000618006197 FE Annotated Reactive C=C1[C@H]2O[C@H](OC(=O)CC(C)C)[C@H]3[C@H]1C[C@H](OC(C)=O)[C@@]3(CCl)O2 ZINC000618006198 FE Annotated Reactive CN(C)CCSSCCNC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000618007560 FE Annotated Reactive C=CCNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 ZINC000618007592 FE Annotated Mild CN(C)CCSSCCNC(=O)Nc1ccc(C(=O)O)cc1O ZINC000618008009 FE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(F)ccc1C ZINC000618008124 FE Annotated Reactive COc1ccc(C(=O)NCCSSCCN(C)C)c(OC)c1OC ZINC000618008860 FE Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(/C=N/O)c3)CC2)CC1 ZINC000618009191 FE Annotated Mild CN(C)CCSSCCNC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000618009223 FE Annotated Reactive CN(C)CCSSCCNC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000618009226 FE Annotated Reactive CN(C)CCSSCCN(C)C(=O)COc1ccc(C#N)cc1 ZINC000618009270 FE Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(C#N)c3)CC2)CC1 ZINC000618009274 FE Annotated Mild CN(C)CCSSCCN(C)C(=O)CCC(=O)c1ccccn1 ZINC000618009763 FE Annotated Reactive COc1ccc([C@@H]2CCN[C@@H]3[C@H]2C(=O)NC(=O)N3Cc2ccco2)cc1 ZINC000618011898 FE Annotated Anodyne COc1ccc([C@@H]2CCN[C@H]3[C@H]2C(=O)NC(=O)N3Cc2ccco2)cc1 ZINC000618011899 FE Annotated Anodyne C[C@@H]1CC(=O)N[C@@H]2[C@H](C)C[C@H](S(=O)(=O)NCc3ccccc3)C[C@H]12 ZINC000618011975 FE Annotated Anodyne C[C@@H]1CC(=O)N[C@H]2[C@H]1C[C@H](S(=O)(=O)NCc1ccccc1)C[C@H]2C ZINC000618011984 FE Annotated Anodyne C[C@@H]1CC(=O)N[C@@H]2[C@H](C)C[C@@H](S(=O)(=O)NCc3ccccc3)C[C@H]12 ZINC000618011985 FE Annotated Anodyne C[C@@H]1CC(=O)N[C@H]2[C@H]1C[C@@H](S(=O)(=O)NCc1ccccc1)C[C@H]2C ZINC000618011988 FE Annotated Anodyne C[C@H](CNC(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O)N(C)c1ccccc1 ZINC000618012468 FE Annotated Anodyne C[C@H](CNC(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O)N(C)c1ccccc1 ZINC000618012474 FE Annotated Anodyne CN(C)CCSSCCCNC(=O)COc1ccc(C#N)cc1 ZINC000618012478 FE Annotated Reactive CCSc1ccccc1C(=O)N(C)C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1 ZINC000618013981 FE Annotated Anodyne CCSc1ccccc1C(=O)N(C)C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1 ZINC000618013982 FE Annotated Anodyne CCSc1ccccc1C(=O)N(C)C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1 ZINC000618013983 FE Annotated Anodyne CCSc1ccccc1C(=O)N(C)C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1 ZINC000618013984 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1ccccc1 ZINC000618013996 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1ccccc1 ZINC000618014000 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1ccccc1 ZINC000618014002 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1ccccc1 ZINC000618014005 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1cccs1 ZINC000618014026 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1cccs1 ZINC000618014027 FE Annotated Anodyne C[C@@H]1O[C@@H]2N[C@H](CSc3ccc4ccccc4c3)NC(=O)[C@@H]2[C@@H]1C(=O)O ZINC000618014632 FE Annotated Anodyne C[C@@H]1O[C@@H]2N[C@H](CSc3ccc4ccccc4c3)NC(=O)[C@H]2[C@H]1C(=O)O ZINC000618014647 FE Annotated Anodyne C[C@@H]1O[C@@H]2N[C@H](CSc3ccc4ccccc4c3)NC(=O)[C@H]2[C@@H]1C(=O)O ZINC000618014648 FE Annotated Anodyne C[C@@H]1O[C@@H]2N[C@H](CSc3ccc4ccccc4c3)NC(=O)[C@@H]2[C@H]1C(=O)O ZINC000618014649 FE Annotated Anodyne CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NNC(=O)[C@@H]2CCCC[C@H]12 ZINC000618014991 FE Annotated Anodyne CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NNC(=O)[C@H]2CCCC[C@@H]12 ZINC000618014992 FE Annotated Anodyne CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NNC(=O)[C@@H]2CCCC[C@@H]12 ZINC000618014993 FE Annotated Anodyne CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NNC(=O)[C@H]2CCCC[C@H]12 ZINC000618014994 FE Annotated Anodyne CCc1ccc(NC(=O)CN2C(=O)N[C@@H]3[C@H](O[C@H]4CCCC[C@H]43)C2=O)cc1 ZINC000618016322 FE Annotated Anodyne CCc1ccc(NC(=O)CN2C(=O)N[C@@H]3[C@H](O[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000618016323 FE Annotated Anodyne CCc1ccc(NC(=O)CN2C(=O)N[C@@H]3[C@H](O[C@@H]4CCCC[C@@H]34)C2=O)cc1 ZINC000618016324 FE Annotated Anodyne CCc1ccc(NC(=O)CN2C(=O)N[C@@H]3[C@H](O[C@@H]4CCCC[C@H]34)C2=O)cc1 ZINC000618016325 FE Annotated Anodyne CCN(CC)CC(=O)Nc1ccccc1[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O ZINC000618016461 FE Annotated Anodyne CCN(CC)CC(=O)Nc1ccccc1[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O ZINC000618016462 FE Annotated Anodyne CCN(CC)CC(=O)Nc1ccccc1[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O ZINC000618016463 FE Annotated Anodyne CCN(CC)CC(=O)Nc1ccccc1[C@@H]1N[C@H]2CCCC[C@H]2NC1=O ZINC000618016464 FE Annotated Anodyne C[C@@]1(CNC(=O)CCC(=O)O)CCC[C@@H](O)[C@@H](O)[C@H](c2ccccc2)C1 ZINC000618017207 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2cc(-c3cccc(F)c3)no2)CC1 ZINC000618017223 FE Annotated Anodyne C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cc(C3CCCCC3)no2)C1 ZINC000618017422 FE Annotated Anodyne C=CS(=O)(=O)N1CC[C@H](C(=O)Nc2cc(C3CCCCC3)no2)C1 ZINC000618017424 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)[C@H](C)C1 ZINC000618017543 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)[C@@H](C)C1 ZINC000618017549 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)C[C@@H]1C ZINC000618017550 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2)C[C@H]1C ZINC000618017780 FE Annotated Anodyne CN(C)CCSSCCNC(=O)c1cc(Cl)c2[nH]nnc2c1 ZINC000618018125 FE Annotated Reactive C=CS(=O)(=O)N1CCN(Cc2cc(-c3ccccc3F)no2)CC1 ZINC000618018159 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)C[C@H]1C ZINC000618018178 FE Annotated Anodyne C[C@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cn2ncsc2n1 ZINC000618020154 FE Annotated Anodyne C[C@@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cn2ncsc2n1 ZINC000618020155 FE Annotated Anodyne C#C[C@H]1CN(S(=O)(=O)C=C)CCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000618020186 FE Annotated Mild C#C[C@@H]1CN(S(=O)(=O)C=C)CCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000618020187 FE Annotated Mild C=CS(=O)(=O)N1CCN(Cc2cc(C)cc(OC(F)(F)F)c2)CC1 ZINC000618020194 FE Annotated Anodyne C=CS(=O)(=O)N1CCCN(C(=O)c2cc(C3CCCCC3)no2)CC1 ZINC000618020195 FE Annotated Anodyne C=CS(=O)(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CCCCC2)no1 ZINC000618020199 FE Annotated Anodyne C=CS(=O)(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(OC(F)(F)F)cc1 ZINC000618020226 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2C)CC1 ZINC000618020232 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000618020238 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=S)c2cc(C3CCCCC3)no2)CC1 ZINC000618020243 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000618020249 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000618020262 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(C)c2)CC1 ZINC000618020266 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)c(C)c2)CC1 ZINC000618020267 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC)c(C(F)(F)F)c2)CC1 ZINC000618020269 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC000618020271 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC000618020273 FE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000618020286 FE Annotated Anodyne Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCOCC2)cc1 ZINC000062224965 FE Annotated Anodyne CN(C)CCN(C)[C@H](c1ccc(F)cc1)c1nnnn1Cc1ccccc1 ZINC000062224969 FE Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000062234928 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000062234929 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000062234930 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000062234932 FE Annotated Mild in-man CC(C)c1n[nH]c2c1CN(c1cncc3sc(C(N)=O)c(N)c13)CC2 ZINC000621430210 FE Annotated Anodyne Cc1noc([C@@H]2CCCN(c3cncc4sc(C(N)=O)c(N)c34)C2)n1 ZINC000621430358 FE Annotated Anodyne Cc1noc([C@H]2CCCN(c3cncc4sc(C(N)=O)c(N)c34)C2)n1 ZINC000621430359 FE Annotated Anodyne CCc1c(C)c(C#N)c2nc3ccc(NC(=O)CN(C)C)cc3n2c1O ZINC000621431711 FE Annotated Mild CCc1c(C)c(C#N)c2nc3ccc(NC(=O)[C@@H]4CCNC4)cc3n2c1O ZINC000621431724 FE Annotated Mild CCc1c(C)c(C#N)c2nc3ccc(NC(=O)[C@H]4CCNC4)cc3n2c1O ZINC000621431725 FE Annotated Mild NC(=O)c1ccc2c3c(cccc13)C(=O)N(c1cccc(C(=O)O)c1)C2=O ZINC000621476349 FE Annotated Anodyne NCCNC(=O)C[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621477328 FE Annotated Reactive NCCNC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621477625 FE Annotated Reactive C=CS(=O)(=O)N1CCN(Cc2cc(Br)cs2)CC1 ZINC000621478430 FE Annotated Anodyne C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000621485774 FE Annotated Anodyne C=CC(=O)OC[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000621485863 FE Annotated Anodyne C=CC(=O)OC[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000621485864 FE Annotated Anodyne C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2OC)C1 ZINC000621485870 FE Annotated Anodyne C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC000621485876 FE Annotated Anodyne C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2OC)C1 ZINC000621485883 FE Annotated Anodyne Cc1cc(O)c(C2=C(C(=O)O)C(=O)c3c(O)cccc3C2=O)c(C=O)c1 ZINC000062611336 FE Annotated Mild in-vitro C[C@@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)cc3n21 ZINC000063539368 FE Annotated Anodyne C[C@H]1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@@H](N)C4)cc3n21 ZINC000063539369 FE Annotated Anodyne CCc1nc(CNC(=O)c2ccc([C@@H](C)N3CCCCC3)o2)cc(=O)[nH]1 ZINC000063835506 FE Annotated Anodyne CCc1nc(CNC(=O)c2ccc([C@H](C)N3CCCCC3)o2)cc(=O)[nH]1 ZINC000063835509 FE Annotated Anodyne CC(=O)OCc1ccc(NC(=O)N2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000064235726 FE Annotated Anodyne CC(=O)OCc1ccc(NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000064235727 FE Annotated Anodyne CCCOc1c(Br)cc(/C=C2\NC(=O)NC2=O)cc1OC ZINC000064235821 FE Annotated Anodyne Nc1nc(CCCCCc2cn(CC(=O)Nc3ccccc3)nn2)c[nH]1 ZINC000064322729 FE Annotated Anodyne CN(C)CC[C@H](c1ccc(Cl)c(Cl)c1)n1nnc(-n2nccn2)n1 ZINC000064379314 FE Annotated Anodyne CN1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccs4)c3c2)CC1 ZINC000064393142 FE Annotated Anodyne FC(F)Oc1ccc2nnc3c(I)cnn3c2c1 ZINC000064446806 FE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN)cc3)c(F)c2)C(=O)O1 ZINC000064446979 FE Annotated Anodyne CC(=O)n1c2cc(=O)n(Cc3cccnc3)c(C)c2c(=O)n1-c1ccccc1 ZINC000064447036 FE Annotated Anodyne CC(=O)N(c1nc(C)cs1)N(C(C)=O)S(=O)(=O)c1ccc(C)cc1 ZINC000064447114 FE Annotated Reactive CNc1nc2ccn(C)c(=O)c([C@@H](O)c3cc(C)c(OC)c(C)c3)c-2n1 ZINC000064447769 FE Annotated Anodyne CNc1nc2ccn(C)c(=O)c([C@H](O)c3cc(C)c(OC)c(C)c3)c-2n1 ZINC000064447771 FE Annotated Anodyne NCCCNCCCCNCCC/N=C1/CCCc2cc(N)ccc2N1 ZINC000064447791 FE Annotated Mild N#Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000064448330 FE Annotated Mild CCO[P@]1(=O)OC(C)=c2sc(Br)cc2=C1C(=O)OC ZINC000064453908 FE Annotated Anodyne CCO[P@@]1(=O)OC(C)=c2sc(Br)cc2=C1C(=O)OC ZINC000064453910 FE Annotated Anodyne Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCN(C)CC4)cc23)cc1 ZINC000064454318 FE Annotated Anodyne in-vivo O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000064475247 FE Annotated Reactive COC(=O)c1cc(NC(=O)C#Cc2cccs2)ccc1N1CCOCC1 ZINC000064499445 FE Annotated Mild CC(C)(C)OC(=O)N1CCN(Cc2oc(CCl)cc(=O)c2O)CC1 ZINC000064503619 FE Annotated Reactive CN(C)c1ccc(/C=N/NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000064503884 FE Annotated Reactive Clc1ccc(CN(CCn2cncn2)CCn2cncn2)cc1Cl ZINC000064516214 FE Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CN(C)CCN(C)C)nn3)c2c1 ZINC000064516488 FE Annotated Anodyne CCN1CCN(Cc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)CC1 ZINC000064516581 FE Annotated Anodyne O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccccc1[N+](=O)[O-] ZINC000064516610 FE Annotated Reactive CN(C(=O)/C=C/c1ccco1)c1ccc(N2CCOCC2)c(C(=O)O)c1 ZINC000064521179 FE Annotated Anodyne CC(C)N1CCN(C(=O)c2cccc3[nH]cc(CN4CCOCC4)c23)CC1 ZINC000064526422 FE Annotated Anodyne CC(C)N1CCN(C(=O)c2cccc3c(CN4CCOCC4)c[nH]c23)CC1 ZINC000064528202 FE Annotated Anodyne O=C(CCC1=CCCN(CCc2ccc(Br)cc2)C1=O)NO ZINC000064528284 FE Annotated Bother COc1ccc2nc(C)cc(-n3cc(CNCCCN(C)C)nn3)c2c1 ZINC000064532257 FE Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C\c2ccc([N+](=O)[O-])cc2)s1 ZINC000064548481 FE Annotated Mild Cn1ncc2c(NCC(C)(C)CO)nc(-c3cccc4[nH]ncc34)nc21 ZINC000064549223 FE Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=N)N)c3c(C)cccc32)cc1 ZINC000064549252 FE Annotated Mild C[C@H](Nc1nc2cc[nH]c(=O)c2cc1C(=O)NCCN(C)C)C(C)(C)C ZINC000064549580 FE Annotated Anodyne C[C@@H](Nc1nc2cc[nH]c(=O)c2cc1C(=O)NCCN(C)C)C(C)(C)C ZINC000064549581 FE Annotated Anodyne O=c1[nH]ccc2nc(NC[C@@H]3CCS(=O)(=O)C3)c3ccc(F)cc3c12 ZINC000064549779 FE Annotated Bother O=c1[nH]ccc2nc(NC[C@H]3CCS(=O)(=O)C3)c3ccc(F)cc3c12 ZINC000064549780 FE Annotated Bother CC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1 ZINC000064553531 FE Annotated Anodyne CCOC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1cnncc1C2=O ZINC000064553753 FE Annotated Clean C/C(=N\NC(=N)N)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C)c12 ZINC000064559507 FE Annotated Mild Cc1ccc2c(/C=N/NC(=N)N)cn(S(=O)(=O)c3ccccc3)c2c1 ZINC000064559742 FE Annotated Mild Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=N)N)c3ccc(C)cc32)cc1 ZINC000064559744 FE Annotated Mild N#C/C(=C\Nc1cnccn1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000006500267 FE Annotated Reactive Cc1c(Sc2ccccc2)n(COCCBr)c(=O)[nH]c1=O ZINC000006520179 FE Annotated Reactive Cc1c(/C=N/NC(=S)N2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000006520291 FE Annotated Mild Cc1c(N2CCCNCC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520769 FE Annotated Anodyne CN[C@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1 ZINC000006520874 FE Annotated Anodyne Cc1c(N2CC[C@H](C)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520884 FE Annotated Anodyne Cc1c(N2CC[C@@H](C)[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520931 FE Annotated Anodyne Cc1c(N2CC[C@@H](C)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520933 FE Annotated Anodyne Cc1c(N2CC[C@@H]3[C@H](N)[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520936 FE Annotated Anodyne Cc1c(N2CC[C@@]3(C[C@@H]3N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520945 FE Annotated Anodyne Cc1c(N2CC[C@@]3(C[C@H]3N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520946 FE Annotated Anodyne Cc1c(N2C[C@H](C)[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520952 FE Annotated Anodyne CN[C@@H]1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C[C@@H]1C ZINC000006520957 FE Annotated Anodyne Cc1c(N2C[C@H](C)[C@@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520961 FE Annotated Anodyne CN[C@H]1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C[C@@H]1C ZINC000006520965 FE Annotated Anodyne Cc1c(N2C[C@@H]3CCN[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520974 FE Annotated Anodyne Cc1c(N2C[C@@H](N)C[C@@H]2C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520989 FE Annotated Anodyne Cc1c(N2C[C@@H](N)[C@H](C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520990 FE Annotated Anodyne CN[C@@H]1CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C[C@H]1C ZINC000006520996 FE Annotated Anodyne Cc1c(N2C[C@H]3CCN[C@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006521015 FE Annotated Anodyne Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2OCCCO)c1 ZINC000006521933 FE Annotated Anodyne Nc1cc(Cl)nc(S(=O)(=O)Cc2cccc(Br)c2)n1 ZINC000006525352 FE Annotated Anodyne COc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1F ZINC000006530458 FE Annotated Anodyne O=C(Nc1ccc(C2=NCCN2)cc1)c1cc2cc(C3=NCCN3)ccc2o1 ZINC000006535483 FE Annotated Anodyne O=C(Nc1ccc(C2=NCCN2)cc1)c1cc2ccc(C3=NCCN3)cc2o1 ZINC000006535485 FE Annotated Anodyne N#Cc1nnc2c3c(-c4ccc(Cl)cc4)c(C#N)c(O)nc3nn2c1N ZINC000006536270 FE Annotated Mild O=C1CN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)c2ccccc2N1 ZINC000006550015 FE Annotated Anodyne O=C(CSCC(=O)N/N=C/c1cccs1)N/N=C/c1cccs1 ZINC000006567154 FE Annotated Reactive NC1=NS(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)nc21 ZINC000006582439 FE Annotated Anodyne CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)Cn2nc(C)cc2C)c1C ZINC000006687000 FE Annotated Reactive CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006725235 FE Annotated Anodyne CN(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000006725236 FE Annotated Anodyne CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006725237 FE Annotated Anodyne CN(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000006725238 FE Annotated Anodyne CCCCN(C)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C ZINC000006736893 FE Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)CC2)c1 ZINC000006740950 FE Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)C[C@@H]2C)c1 ZINC000006740952 FE Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)C[C@H]2C)c1 ZINC000006740953 FE Annotated Anodyne CCc1nn(CC(=O)NCCC(C)C)c(=O)c2cc3c(OC)cccc3n12 ZINC000006749820 FE Annotated Anodyne Cc1nn(CC(=O)NCCCOC(C)C)c(=O)c2cc3cc(F)ccc3n12 ZINC000006749924 FE Annotated Anodyne COc1cc2c(N3C(=O)CCC3=O)c3c(=O)oc(C)cn3c2cc1OC ZINC000006750006 FE Annotated Anodyne O=C(O)Cn1ncn2c(c(-n3cccc3)c3c4c(sc32)CCCC4)c1=O ZINC000006750299 FE Annotated Anodyne CNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000006751854 FE Annotated Anodyne N[C@@H](CCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)C(=O)O ZINC000006760952 FE Annotated Anodyne Cn1nc(C(=O)Nc2ccccn2)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000006781762 FE Annotated Anodyne Cc1cccnc1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006781768 FE Annotated Anodyne CCc1nc(/C(N)=N/OC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)no1 ZINC000006791888 FE Annotated Mild CCN(CC)CCNC(=O)Cn1nc(C)c2sc3ccccc3c2c1=O ZINC000006798979 FE Annotated Anodyne O=C(CCCn1ncn2c(cc3occc32)c1=O)NCc1cccs1 ZINC000006807628 FE Annotated Anodyne Cc1cc(C)n2nc(CNC(=O)c3ccc(Br)o3)nc2n1 ZINC000006808164 FE Annotated Anodyne Cc1ccccc1NC(=O)Cn1ccn(CCc2ccccc2)c(=O)c1=O ZINC000006816493 FE Annotated Anodyne Cn1c(=O)c2sccc2n2c(CCCC(=O)NC3CCCC3)nnc12 ZINC000006817100 FE Annotated Anodyne CCOc1ccccc1-n1nnc(S(=O)(=O)c2ccc(C)cc2)c1N ZINC000006817538 FE Annotated Anodyne CCn1c(C(=O)N2CCC(C(=O)NCCOC)CC2)cc2sccc21 ZINC000006820789 FE Annotated Anodyne COc1ccc(NC[C@H](O)Cn2nnnc2-c2ccccc2)cc1Cl ZINC000006822651 FE Annotated Anodyne COc1ccc(NC[C@@H](O)Cn2nnnc2-c2ccccc2)cc1Cl ZINC000006822654 FE Annotated Anodyne CC1CCN(C(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 ZINC000006839531 FE Annotated Anodyne CCn1nc(C)c2c(C(F)(F)C(F)(F)F)cc(=O)n(CC(=O)O)c21 ZINC000006857907 FE Annotated Anodyne C[C@H]1CN2C(=O)Cc3c(S(=O)(=O)N4CCC[C@@H](C)C4)ccc(c32)S1 ZINC000006867756 FE Annotated Anodyne C[C@H]1CCCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)C1 ZINC000006867758 FE Annotated Anodyne CC1CCN(c2ccc3nnc(CCC(=O)Nc4ccccn4)n3n2)CC1 ZINC000006867831 FE Annotated Anodyne Cn1c(=O)c2sccc2n2c(CCCC(=O)NC3CCCCC3)nnc12 ZINC000006868330 FE Annotated Anodyne CCCn1c(=O)c2sccc2n2c(CCCC(=O)N3CCCC3)nnc12 ZINC000006868466 FE Annotated Anodyne CC(C)C[C@@H](C(=O)N1CCC2(CC1)OCCO2)N1Cc2ccccc2C1=O ZINC000006874207 FE Annotated Anodyne CC(C)C[C@H](C(=O)N1CCC2(CC1)OCCO2)N1Cc2ccccc2C1=O ZINC000006874221 FE Annotated Anodyne COCCNC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21 ZINC000006878126 FE Annotated Anodyne CCc1cccc(C)c1NS(=O)(=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C ZINC000006887357 FE Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)CSc2nnc(-c3cccnc3)n2N)[C@@H]1C ZINC000006901155 FE Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3cccnc3)n2N)[C@@H]1C ZINC000006901224 FE Annotated Anodyne O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)N1CCOCC1 ZINC000006902109 FE Annotated Anodyne CCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 ZINC000006916339 FE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCCCC1 ZINC000006916445 FE Annotated Anodyne Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)N1CCOCC1 ZINC000006917267 FE Annotated Anodyne Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc[nH]c(=O)c12 ZINC000006920147 FE Annotated Anodyne C=CC/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O ZINC000006920255 FE Annotated Mild O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NC1CCCCCC1 ZINC000006936062 FE Annotated Anodyne C[C@@H](CNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1)c1ccccc1 ZINC000006974000 FE Annotated Anodyne C[C@H](CNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)o1)c1ccccc1 ZINC000006974001 FE Annotated Anodyne COc1ccc(C(=O)NCC(=O)N/N=C/C(C)=C/c2ccco2)cc1OC ZINC000006998153 FE Annotated Reactive O=C(O)c1ccc2c(c1)n(C[C@@H]1CCNC1)c(=O)n2Cc1ccc(F)cc1 ZINC000065381821 FE Annotated Anodyne O=C(O)c1ccc2c(c1)n(C[C@H]1CCNC1)c(=O)n2Cc1ccc(F)cc1 ZINC000065381822 FE Annotated Anodyne CCn1cnnc1Cc1nc2c([nH]1)C[C@H](c1ccc(Cl)cc1)CNC2=O ZINC000065395620 FE Annotated Anodyne CCn1cnnc1Cc1nc2c([nH]1)C[C@@H](c1ccc(Cl)cc1)CNC2=O ZINC000065395621 FE Annotated Anodyne CC(C)(C)OC(=O)NCCNc1ncnc2[nH]c3ccc(C(N)=O)cc3c12 ZINC000653624598 FE Annotated Anodyne COc1c(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)ccc2c1OCO2 ZINC000653631606 FE Annotated Anodyne COc1c(-c2cc(=O)n3nc(C)c(-c4ccccn4)c3[nH]2)ccc2nn[nH]c12 ZINC000653633834 FE Annotated Anodyne Nc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1Cc1ccccc1 ZINC000653662268 FE Annotated Anodyne Cc1c(-c2cc(=O)n3nc(N)c(-c4ccccn4)c3[nH]2)ccc2c1OCO2 ZINC000653663953 FE Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)nc2nc(Cc3ccccc3)[nH]n12 ZINC000653666153 FE Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC(OC)C2)n1 ZINC000653670135 FE Annotated Anodyne COc1c(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)ccc2nn[nH]c12 ZINC000653670651 FE Annotated Anodyne Nc1ncc(-c2cc(N3[C@H]4CC[C@H]3COC4)cc(N3CC4CC3C4)n2)cn1 ZINC000653672865 FE Annotated Anodyne Nc1nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1ccccn1 ZINC000653678779 FE Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC[C@](C)(O)C2)n1 ZINC000653679375 FE Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC[C@@](C)(O)C2)n1 ZINC000653679376 FE Annotated Anodyne CNC(=O)Oc1ccc(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)cc1 ZINC000653680393 FE Annotated Anodyne Cn1ncc2cc(-c3cc(=O)n4nc(N)c(-c5ccccn5)c4[nH]3)ccc21 ZINC000653681798 FE Annotated Anodyne COc1cc2nc(C)nc(-n3[nH]c(-c4ccccn4)nc3=N)c2cc1OC ZINC000653687429 FE Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1CNNC(=O)c1ccncc1 ZINC000653690534 FE Annotated Reactive O=C(O)CCNc1nc(N2CCc3ccccc3C2)cc(-n2cccn2)n1 ZINC000653692115 FE Annotated Anodyne CCC(=O)NNC(=O)c1oc2nc(C(F)(F)F)ccc2c1NC(=O)CC ZINC000653703156 FE Annotated Reactive COc1cc(-n2cnc3ccc([N+](=O)[O-])cc3c2=O)cc(OC)c1OC ZINC000653704622 FE Annotated Bother O=C(CCS)NCCCCNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000653706000 FE Annotated Mild S=C(NCc1cccnc1)SCCc1nnc(-c2cnccn2)o1 ZINC000653706749 FE Annotated Clean O/N=C/c1cn(Cc2cn(-c3ccc4c(c3)OCO4)nn2)c2ncccc12 ZINC000653709177 FE Annotated Mild O=[N+]([O-])c1ccccc1-n1cc(Cn2cc(/C=N/O)c3cccnc32)nn1 ZINC000653709180 FE Annotated Mild OCCNc1ccc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2n1 ZINC000653713003 FE Annotated Anodyne CCCCCCCCC#Cc1cn(CCC(CO)CO)c(=O)nc1O ZINC000653715976 FE Annotated Mild O=[N+]([O-])c1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1 ZINC000653717148 FE Annotated Mild O=c1c2nccnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1 ZINC000653722464 FE Annotated Anodyne COc1cc(-c2nnc3n(C)c(=O)c4ccccc4n23)cc(OC)c1OC ZINC000653726477 FE Annotated Anodyne C=CCON(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC(=O)N1 ZINC000653728709 FE Annotated Mild C=CCON(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC(=O)N1 ZINC000653728710 FE Annotated Mild O=c1c2ccnnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1 ZINC000653728727 FE Annotated Anodyne Oc1nnc(SCc2ccc(I)cc2)nc1O ZINC000653729232 FE Annotated Anodyne N[C@H]1CC[C@@H](Nc2ccnc(O)c2-c2nc3c([nH]2)C[C@@H](C(=O)O)CC3)CC1 ZINC000653729633 FE Annotated Anodyne N[C@H]1CC[C@@H](Nc2ccnc(O)c2-c2nc3c([nH]2)C[C@H](C(=O)O)CC3)CC1 ZINC000653729634 FE Annotated Anodyne N#Cc1cccc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)cnc12 ZINC000653735475 FE Annotated Mild O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 ZINC000653737719 FE Annotated Anodyne CC(=O)O[C@H](C[C@@H](O)C[C@H](O)/C=C/c1ccccc1)C[C@H]1CC=CC(=O)O1 ZINC000653737744 FE Annotated Anodyne O=c1c2cncnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1 ZINC000653737756 FE Annotated Anodyne CC/N=C(/NS(=O)(=O)c1cccc(OC)c1)N1CC2(C=N1)CCCC2 ZINC000653739166 FE Annotated Mild O=C(N[C@H]1CNc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 ZINC000653739195 FE Annotated Anodyne O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 ZINC000653742646 FE Annotated Anodyne C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])nc2O1 ZINC000653743749 FE Annotated Bother C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])nc2O1 ZINC000653743750 FE Annotated Bother O=c1c2cccnc2ncn1Cc1nc(CCc2ccc(Cl)nc2)no1 ZINC000653745146 FE Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccccc2F)C3=O)n1 ZINC000653747999 FE Annotated Anodyne Nc1ncc(-c2cc(C3C[C@@H]4CC[C@H](C3)N4)nc(N3CC4CC3C4)n2)cn1 ZINC000653750419 FE Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2cccc(F)c2)C3=O)n1 ZINC000653753968 FE Annotated Anodyne CCCOC(=O)c1nc(C)c2c(c1N)C(=O)N(Cc1ccccc1)C2=O ZINC000653755898 FE Annotated Anodyne Cc1nc(C(=O)OC2CC2)c(N)c2c1C(=O)N(Cc1ccccc1)C2=O ZINC000653755993 FE Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(F)cc2)C3=O)n1 ZINC000653756006 FE Annotated Anodyne Cc1nn(C)c(C)c1Cc1noc(-c2cccnc2OC2CCNCC2)n1 ZINC000653759968 FE Annotated Anodyne COc1cc([C@@H]2OC[C@@]3(O)[C@H](c4ccc5c(c4)OCO5)OC[C@@H]23)ccc1O ZINC000653767662 FE Annotated Anodyne COC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)C1 ZINC000653769216 FE Annotated Anodyne O=S(=O)(c1ccc(F)cn1)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 ZINC000653775559 FE Annotated Anodyne O=C(Nn1c(S)nc2ccc(F)cc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000653780404 FE Annotated Bother CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC(C)(C)O)C[C@H]23)c2ccccn12 ZINC000653780405 FE Annotated Anodyne NC(=S)NC[C@H]1CN(c2ccc([C@@H]3CCCCC3=O)c(F)c2)C(=O)O1 ZINC000653780741 FE Annotated Anodyne NC(=S)NC[C@H]1CN(c2ccc([C@H]3CCCCC3=O)c(F)c2)C(=O)O1 ZINC000653780742 FE Annotated Anodyne CC(C)c1nc(C(=O)NC[C@H]2CN(C3CCC3)CCO2)c2ccccn12 ZINC000653792933 FE Annotated Anodyne CC(C)c1nc(C(=O)NC[C@@H]2CN(C3CCC3)CCO2)c2ccccn12 ZINC000653792934 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCCCC3)nc1)C2 ZINC000653793661 FE Annotated Bother O=C1CCCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC000653793683 FE Annotated Bother Nc1nc(C(=O)NCc2cccc3c2OCCO3)c2cccc(F)c2n1 ZINC000653793818 FE Annotated Anodyne Nc1nc(C(=O)NCc2cccc3c2OCCN3)c2cccc(F)c2n1 ZINC000653793825 FE Annotated Anodyne C[C@H]1CC/C(=N\N=C2/SCC(=O)N2CN2C(=O)c3ccccc3C2=O)C1 ZINC000653794383 FE Annotated Mild C[C@@H]1CC/C(=N\N=C2/SCC(=O)N2CN2C(=O)c3ccccc3C2=O)C1 ZINC000653794384 FE Annotated Mild O=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C1CCCCC1 ZINC000653794406 FE Annotated Mild C[C@H]1CCC/C1=N\N=C1/SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653794407 FE Annotated Mild C[C@@H]1CCC/C1=N\N=C1/SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653794408 FE Annotated Mild CCC/C(C)=N/N=C1\SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653795290 FE Annotated Mild CCC(CC)=N/N=C1\SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653795307 FE Annotated Mild O=C1CS/C(=N\N=C\c2cccnc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653795397 FE Annotated Mild CCCCOC(=O)c1cc(=O)c(=O)c2oc3cc(N(C)C)ccc3[nH]c1=2 ZINC000653795835 FE Annotated Bother N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(Cl)c([N+](=O)[O-])cc12 ZINC000653799353 FE Annotated Bother O=C1O[C@@H](CO)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653804956 FE Annotated Anodyne CCOC(=O)c1cn(CC)c2cc(-n3cc(C(C)(C)O)nn3)ccc2c1=O ZINC000653804957 FE Annotated Anodyne CCOC(=O)c1cn(CC)c2ccc(-n3cc(C(C)(C)O)nn3)cc2c1=O ZINC000653804966 FE Annotated Anodyne COCCCN1C[C@@H]2C(NC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1 ZINC000653805020 FE Annotated Anodyne COCCCN1C[C@H]2C(NC(=O)c3nc(C(C)C)n4ccccc34)[C@@H]2C1 ZINC000653805021 FE Annotated Anodyne COCCCN1C[C@H]2[C@H](NC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1 ZINC000653805022 FE Annotated Anodyne COCOCCOc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1 ZINC000653806226 FE Annotated Anodyne NC(=S)N1N=C(CN=NNC(=O)c2cccnc2)C[C@H]1c1ccccc1 ZINC000653806227 FE Annotated Reactive NC(=S)N1N=C(CN=NNC(=O)c2cccnc2)C[C@@H]1c1ccccc1 ZINC000653806228 FE Annotated Reactive COCCc1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccn12 ZINC000653806303 FE Annotated Anodyne O=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C1CCCC1 ZINC000653812627 FE Annotated Mild CCOC(=O)Cn1c(CCl)nc2c(c(C)nn2-c2ccccc2)c1=O ZINC000653812633 FE Annotated Reactive CC(C)[C@@H](C)n1cc(-c2cc(C(C)(C)O)n(C)n2)c2[nH]nc(N)c2c1=O ZINC000653813173 FE Annotated Anodyne COc1cccnc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C ZINC000653823834 FE Annotated Anodyne Cc1c(C(=O)CNc2nc3ccccc3[nH]2)[n+](=O)c2ccccc2n1O ZINC000653829349 FE Annotated Anodyne Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cc2ccccc2[nH]1 ZINC000653829563 FE Annotated Reactive Oc1nc(-c2cc(-c3ncon3)n(Cc3ccccc3F)n2)ncc1F ZINC000653835876 FE Annotated Anodyne Oc1nc(-c2cc(-c3ccon3)n(Cc3ncccc3F)n2)ncc1F ZINC000653837738 FE Annotated Anodyne Cn1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)C(c3ccccn3)=N2)cn1 ZINC000653837946 FE Annotated Anodyne Cn1cc(S(=O)(=O)N2C[C@H](c3ccccc3)C(c3ccccn3)=N2)cn1 ZINC000653837947 FE Annotated Anodyne O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(O)c(O)c1O ZINC000653840595 FE Annotated Reactive CCn1c(=O)c(CO)cc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21 ZINC000653840735 FE Annotated Clean CCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3)cc(=O)n12 ZINC000653842771 FE Annotated Mild NC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncnc3[nH]cnc23)cn1 ZINC000653847611 FE Annotated Anodyne NC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3[nH]cnc23)cn1 ZINC000653847612 FE Annotated Anodyne Nc1nc(=NCCc2ccccc2)nc(N)c2c1ncn2Cc1ccccc1 ZINC000653848641 FE Annotated Anodyne COC1=C(O)C2=C3O[C@H](C)C(C)(C)[C@]3(O)C(=O)c3c(C)cc(O)c(c32)C1=O ZINC000653851952 FE Annotated Mild CCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3F)cc(=O)n12 ZINC000653856878 FE Annotated Mild O=S(=O)(c1ccc(F)c(F)c1F)N1CCC[C@H](Cn2ccnc2)C1 ZINC000653861682 FE Annotated Anodyne O=S(=O)(c1ccc(F)c(F)c1F)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000653861691 FE Annotated Anodyne O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1c[nH]c2c(F)cccc2c1=O ZINC000653873341 FE Annotated Reactive O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1c[nH]c2c(F)cccc2c1=O ZINC000653873482 FE Annotated Reactive O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1c[nH]c2c(F)cccc2c1=O ZINC000653873545 FE Annotated Reactive CC(C)(C)OC(=O)NCC#CC1=C[C@@H]2C[C@@]3(OC(=O)C=C13)[C@H]1CCCCN21 ZINC000653875505 FE Annotated Mild N#CN/C(=N/CCNc1ccccc1)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1 ZINC000653883113 FE Annotated Mild NCc1ccc(-c2ccc(Cn3cc(O)c(=O)c(C(=O)O)c3)cc2)cc1 ZINC000653885931 FE Annotated Anodyne COc1cc(-c2cn(C)c(=O)c3cncnc23)cc(OC)c1CN(C)C ZINC000653887144 FE Annotated Anodyne CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccsc23)c1 ZINC000653887616 FE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@H](OCC(=O)OCC)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653891173 FE Annotated Mild O[C@@H]1CS[C@@H](n2c(-c3cccs3)nc3c(Cl)ncnc32)[C@@H]1O ZINC000653893437 FE Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(COCC(=O)OCC)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653895813 FE Annotated Mild CC(C)(C)OC(=O)NCCCNCC1=C(O)C(=O)c2ccccc2C1=O ZINC000653897408 FE Annotated Mild COC(=O)CN(C)c1nc(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-] ZINC000653901871 FE Annotated Bother COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1F ZINC000653912886 FE Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1F ZINC000653912887 FE Annotated Anodyne N#CN/C(=N/CCOc1ccccc1)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1 ZINC000653916362 FE Annotated Mild N#CN/C(=N/CCOc1ccccc1)NC[C@H]1CC[C@H](c2cnc[nH]2)C1 ZINC000653916363 FE Annotated Mild N#CN/C(=N/CCNc1ccccc1)NC[C@H]1CC[C@H](c2cnc[nH]2)C1 ZINC000653916384 FE Annotated Mild CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H](O)[C@H]1c1ccccc1 ZINC000653916397 FE Annotated Anodyne CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000653916428 FE Annotated Anodyne CCCOCCNc1nc(N)[nH]c2nc(=O)c(-c3ccc(F)cc3)cc1-2 ZINC000653918570 FE Annotated Anodyne CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O ZINC000653919136 FE Annotated Bother CCC[N@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O ZINC000653919137 FE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)nc3)cn1)C2 ZINC000066058836 FE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cncc(F)c3)cn1)C2 ZINC000066058837 FE Annotated Bother N#Cc1ccc2c(c1)CCN(Cc1cc(C(=O)O)c(=O)n3ccccc13)C2 ZINC000066066090 FE Annotated Mild Cn1c(N2CCC(O)(c3ccccc3)CC2)cc(-c2ccncn2)cc1=O ZINC000066066669 FE Annotated Anodyne O=C(O)c1cc(CN2CCC(n3cccn3)CC2)c2ccccn2c1=O ZINC000066073595 FE Annotated Anodyne O=C(O)c1cc(CN2CCC(n3ccnc3)CC2)c2ccccn2c1=O ZINC000066073596 FE Annotated Anodyne COc1c(OC)c(O)c2c(=O)cc(C)oc2c1I ZINC000066074051 FE Annotated Anodyne Cn1ccc(NC(=O)c2ncn(Cc3cccc(C(F)(F)F)c3)n2)n1 ZINC000066074102 FE Annotated Anodyne O=C(O)c1cc(CN2CCC(c3cc[nH]n3)CC2)c2ccccn2c1=O ZINC000066074599 FE Annotated Anodyne O=[N+]([O-])c1ccc([C@H](O)Cn2cc([N+](=O)[O-])nc2Br)cc1 ZINC000066077253 FE Annotated Bother O=[N+]([O-])c1ccc([C@@H](O)Cn2cc([N+](=O)[O-])nc2Br)cc1 ZINC000066077255 FE Annotated Bother COc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)C[C@@H](C(C)(C)O)O2 ZINC000066077451 FE Annotated Bother COc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)C[C@H](C(C)(C)O)O2 ZINC000066077452 FE Annotated Bother COc1c(O)c2c(c3c(=O)c4cccc(O)c4n(C)c13)OC(C)(C)[C@H](O)C2 ZINC000066077454 FE Annotated Bother COc1c(O)c2c(c3c(=O)c4cccc(O)c4n(C)c13)OC(C)(C)[C@@H](O)C2 ZINC000066077456 FE Annotated Bother O=C(O)c1cc(CN2CCC(c3cnccn3)CC2)c2ccccn2c1=O ZINC000066078995 FE Annotated Anodyne O=C(O)c1cc(CN2CCC(c3ccncn3)CC2)c2ccccn2c1=O ZINC000066078997 FE Annotated Anodyne O=C(O)c1cc(CN2CCC(c3cncnc3)CC2)c2ccccn2c1=O ZINC000066078998 FE Annotated Anodyne O=C(O)c1cc(CN2CCC(c3ncccn3)CC2)c2ccccn2c1=O ZINC000066079001 FE Annotated Anodyne CN/C(=N\C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066097232 FE Annotated Mild ON1CCN=C1Nc1ccc(Nc2ccc(/N=C3\NCCN3O)cc2)cc1 ZINC000066100302 FE Annotated Mild CC1(C)O[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2[C@@H](N[N+]#N)[C@@H]1Br ZINC000066100458 FE Annotated Reactive CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cn3)o2)cc1 ZINC000066101853 FE Annotated Mild CCOP(=O)(/C=C/Cn1cc(Br)c(=O)[nH]c1=O)OCC ZINC000066102367 FE Annotated Anodyne COc1ccccc1-c1sc(N)nc1-c1ccc(P(=O)(O)O)o1 ZINC000066103548 FE Annotated Anodyne CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)o2)nc1 ZINC000066104195 FE Annotated Mild CCOC(=O)[C@H]1SC(/N=C(\S)NC(=O)c2ccccc2)=N[C@H]1C ZINC000066112232 FE Annotated Mild CCOC(=O)[C@@H]1SC(/N=C(\S)NC(=O)c2ccccc2)=N[C@H]1C ZINC000066112233 FE Annotated Mild CCOC(=O)[C@H]1SC(/N=C(\S)NC(=O)c2ccccc2)=N[C@@H]1C ZINC000066112234 FE Annotated Mild CCOC(=O)[C@@H]1SC(/N=C(\S)NC(=O)c2ccccc2)=N[C@@H]1C ZINC000066112235 FE Annotated Mild CCOP(=O)(CC/C=C/Cn1cc(Cl)c(=O)[nH]c1=O)OCC ZINC000066112286 FE Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@@H](C(C)=O)[C@@H]1C[C@@H]32 ZINC000066112298 FE Annotated Bother COc1cccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)c1 ZINC000066112539 FE Annotated Anodyne CON/C(=N\C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066112957 FE Annotated Mild COc1ccc([C@@H]2[C@H](O)CO[C@@H]2[C@H](O)c2ccc(OC)c(OC)c2)cc1 ZINC000066124456 FE Annotated Anodyne CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccc(Cl)cc1 ZINC000066129625 FE Annotated Reactive C/C=C1/CO[C@@](C(=O)NCCOCCO)(C(F)(F)F)C=C1C=C(C)C ZINC000066139794 FE Annotated Anodyne C/C=C1/CO[C@](C(=O)NCCOCCO)(C(F)(F)F)C=C1C=C(C)C ZINC000066139798 FE Annotated Anodyne O=C(O)CNC(=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000066165817 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3F)cn1)C2 ZINC000066251056 FE Annotated Bother CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)Cc1ccccc1C2 ZINC000066251132 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccnc(F)c3)cn1)C2 ZINC000066251274 FE Annotated Bother O=C1[C@@H]2CS[C@]3(C(=O)Nc4ccccc43)N2C(=O)N1Cc1ccccc1 ZINC000066251414 FE Annotated Anodyne [O-][n+]1onc2ccc(/C=N/N=C/c3cc(Br)ccc3O)cc21 ZINC000066251681 FE Annotated Mild O=S(=O)(c1ccccc1)c1ccc(-c2nnc3sc(O)nn23)cc1 ZINC000066251691 FE Annotated Anodyne CC(=O)N[C@@H](CSC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)O ZINC000066251698 FE Annotated Bother Nc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cn1 ZINC000066251788 FE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)nn1)C2 ZINC000066251922 FE Annotated Bother O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccccc1[N+](=O)[O-] ZINC000066252833 FE Annotated Bother O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccccc1[N+](=O)[O-] ZINC000066252834 FE Annotated Bother CCCc1cc(=O)[nH]c(N2NC(C)=C[C@H]2NC(=O)c2ccccc2Cl)n1 ZINC000066258280 FE Annotated Anodyne CCCc1cc(=O)[nH]c(N2NC(C)=C[C@@H]2NC(=O)c2ccccc2Cl)n1 ZINC000066258281 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(F)cc3)cn1)C2 ZINC000066258593 FE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(F)cc3)cn1)C2 ZINC000066259149 FE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)nc3)nc1)C2 ZINC000066259373 FE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(F)cc3)nc1)C2 ZINC000066259386 FE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(F)n3)cn1)C2 ZINC000066259509 FE Annotated Bother O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000066263999 FE Annotated Bother O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000066264003 FE Annotated Bother CN1[C@@H](c2ccccc2)[C@@H](C(=O)NCc2ccccn2)C[C@@]1(C)C(=O)O ZINC000067542205 FE Annotated Anodyne CO[C@@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1 ZINC000067725496 FE Annotated Anodyne CO[C@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1 ZINC000067725500 FE Annotated Anodyne CCC1([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CCN(C(=O)CC(C)(C)C)CC1 ZINC000067998077 FE Annotated Mild NC(=O)C1CCN(c2c(Br)cncc2Br)CC1 ZINC000068204459 FE Annotated Anodyne O=C1Cc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc2N1 ZINC000068204775 FE Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OCCOC)nc2s1 ZINC000069063223 FE Annotated Anodyne COC1=CCC[C@@H]2[C@](C=O)(C1)C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO ZINC000069481950 FE Annotated Mild in-vitro biogenic COc1cc(O)c2c(c1)C[C@H](c1ccc(OC)c(O)c1O)[C@@H](OC)C2=O ZINC000069482243 FE Annotated Clean in-vitro biogenic C=C1[C@H](OC)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@H](CC[C@@]2(C)C(=O)O[C@H](O)[C@H]21)[C@@H]3O ZINC000069482354 FE Annotated Mild in-vitro biogenic Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N(C)Cc1ccco1 ZINC000007001397 FE Annotated Anodyne CN(C)CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000007005395 FE Annotated Anodyne CC(C)Oc1ccc(CNS(=O)(=O)c2csc(C(N)=O)c2)cc1 ZINC000007006323 FE Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@@H](C)Cc1ccco1 ZINC000007006871 FE Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@H](C)Cc1ccco1 ZINC000007006872 FE Annotated Anodyne CCC(CC)c1nn2c(=O)cc(CSc3n[nH]c(N)n3)nc2s1 ZINC000007007175 FE Annotated Anodyne Nc1nc(SCc2cc(=O)n3nc(C4CCCCC4)sc3n2)n[nH]1 ZINC000007007187 FE Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@]1(CO1)[C@H]2CCC1=CCOC1=O ZINC000070451088 FE Annotated Anodyne in-vitro biogenic C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@@H](O6)N(CC)[C@H]15)[C@@H]3CC2=O ZINC000070451118 FE Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000070454067 FE Annotated Anodyne in-vitro biogenic C[C@@]1([C@@H](O)CO)C=C2CC[C@@H]3[C@@](C)(C[C@H](O)C[C@@]3(C)C(=O)O)[C@H]2CC1 ZINC000070455262 FE Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000070455568 FE Annotated Anodyne in-vitro biogenic COc1ccc(CNc2nc(NCCCO)nc3c2NCN3C(C)C)cc1 ZINC000070719171 FE Annotated Anodyne CO[C@@H]1C=C([C@H](O)c2ccc(C#N)cc2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000071281693 FE Annotated Mild CC(=O)OCC1=C[C@@H](OCCC(C)C)O[C@H](COC(=O)C(C)(C)C)C1=O ZINC000071282437 FE Annotated Mild COc1ccc(CN2C(=O)CNC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000071294388 FE Annotated Anodyne O=C1C=C(N2CCN(c3ccccc3)CC2)C(=O)c2c(O)ccc(O)c21 ZINC000071294662 FE Annotated Mild COc1ccc(CN2C(=O)CNC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000071294863 FE Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(Cc1nccs1)C2 ZINC000071295013 FE Annotated Anodyne COc1cc(OC)c2c(c1)[C@@]13C[C@H]4[C@@H](COC1=N2)[C@H]1C[C@@H]3N4C/C1=C\CO ZINC000071295238 FE Annotated Anodyne COC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 ZINC000071295840 FE Annotated Anodyne CCCCc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)oc3c2)n1 ZINC000071296155 FE Annotated Anodyne COc1nc2c(c(OC)n1)[C@@H](c1ccc(F)c(OC)c1)C1=C(COC1=O)N2 ZINC000071297133 FE Annotated Anodyne COc1nc2c(c(OC)n1)[C@H](c1ccc(F)c(OC)c1)C1=C(COC1=O)N2 ZINC000071297134 FE Annotated Anodyne O=C(NCc1cc(=O)n2c(c1C1CC1)SC[C@H]2C(=O)O)c1ccccc1 ZINC000071315874 FE Annotated Anodyne O=C1Nc2ccc(F)cc2/C1=N/N=C1\SCC(=O)N1c1ccc(O)cc1 ZINC000071316051 FE Annotated Mild CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc(F)ccc43)[C@@]2(C)SC1=O ZINC000071316059 FE Annotated Mild CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc(F)ccc43)[C@]2(C)SC1=O ZINC000071316060 FE Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(F)ccc43)[C@@]2(C)SC1=O ZINC000071316061 FE Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(F)ccc43)[C@]2(C)SC1=O ZINC000071316062 FE Annotated Mild O=C1c2c(c3n(c(=O)c2O)CCCCC3)C(=O)N1Cc1ccc(F)c(F)c1 ZINC000071316505 FE Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C=C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000071316534 FE Annotated Mild O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1c1cccc(O)c1 ZINC000071316683 FE Annotated Mild O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1c1ccccc1O ZINC000071317328 FE Annotated Mild Cc1nc(NCCC#N)nc(-n2c(Nc3cc[nH]n3)nc3ccccc32)n1 ZINC000071317762 FE Annotated Mild O=C1c2c(c3n(c(=O)c2O)CCCCC3)C(=O)N1Cc1ccc(F)cc1 ZINC000071317978 FE Annotated Anodyne O=C1c2c(c3n(c(=O)c2O)CCC3)C(=O)N1Cc1ccc(F)c(Cl)c1 ZINC000071318305 FE Annotated Anodyne Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CF)OC4=O)cc3F)cn2)n1 ZINC000071318564 FE Annotated Anodyne Cc1ccc2c(c1)/C(=N/N=C1\SCC(=O)N1c1ccc(O)cc1)C(=O)N2 ZINC000071329915 FE Annotated Mild CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#CC(=O)O)CC[C@@H]12 ZINC000071329934 FE Annotated Reactive CN1O[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2O)[C@H]1P(=O)(O)O ZINC000071330757 FE Annotated Anodyne Cc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@]23[C@]12O[C@H]2[C@@H]1O[C@]1(C(C)C)[C@]3(C)O ZINC000071331252 FE Annotated Anodyne Cc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@]23[C@]12O[C@H]2[C@@H]1O[C@]1(C(C)C)[C@@]3(C)O ZINC000071332257 FE Annotated Anodyne CCOc1ccc2/c(=N/NS(=O)(=O)c3ccccn3)cc(C)[nH]c2c1 ZINC000071341048 FE Annotated Anodyne O=C(O)c1cn(Cc2ccc3[nH]c(=O)[nH]c3c2)c2cccc(F)c2c1=O ZINC000071341472 FE Annotated Anodyne CCc1occ2c1CC[C@H]1[C@H]2C[C@@H]2O[C@@]23[C@H](O)[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@]213 ZINC000071341931 FE Annotated Anodyne O=C1c2ccncc2C(=O)c2c1ccn2CCCCCC[C@H](O)CN1CC1 ZINC000071341994 FE Annotated Clean O=C1c2ccncc2C(=O)c2c1ccn2CCCCCC[C@@H](O)CN1CC1 ZINC000071341995 FE Annotated Clean CC(=S)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071342074 FE Annotated Anodyne CCS(=O)(=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 ZINC000071410840 FE Annotated Anodyne CN(C)CCCc1cn(CCCN(C)C)c2c1C(=O)c1ccncc1C2=O ZINC000071416596 FE Annotated Clean C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000071755730 FE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000071755733 FE Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000071755735 FE Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000071755747 FE Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000071755750 FE Annotated Mild COc1ccc(OC)c(-c2nc(CN(C)Cc3nncn3C)c(C)o2)c1 ZINC000071758987 FE Annotated Anodyne CC[C@@H](C)NC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12 ZINC000071928054 FE Annotated Anodyne CC[C@H](C)NC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12 ZINC000071928055 FE Annotated Anodyne Cc1noc2nc(C(=O)NCCC3=CCCCC3)nc(N3CCOCC3)c12 ZINC000071928129 FE Annotated Anodyne Cc1ccc(OCc2nnc(NC(=O)N[C@@H](C)c3ncn[nH]3)s2)cc1 ZINC000071932832 FE Annotated Anodyne Cc1ccc(OCc2nnc(NC(=O)N[C@H](C)c3ncn[nH]3)s2)cc1 ZINC000071932833 FE Annotated Anodyne CC[C@@H](c1ccccc1)c1[nH]nc2c1CN(C(=O)CN1CCOC1=O)CC2 ZINC000071932835 FE Annotated Anodyne CC[C@H](c1ccccc1)c1[nH]nc2c1CN(C(=O)CN1CCOC1=O)CC2 ZINC000071932836 FE Annotated Anodyne CS(=O)(=O)N1Cc2ccccc2C[C@]2(CCN(Cc3ccncc3)C2)C1 ZINC000071991856 FE Annotated Anodyne CS(=O)(=O)N1Cc2ccccc2C[C@@]2(CCN(Cc3ccncc3)C2)C1 ZINC000071991859 FE Annotated Anodyne CS(=O)(=O)N1Cc2ccccc2C[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000071991868 FE Annotated Anodyne CS(=O)(=O)N1Cc2ccccc2C[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000071991870 FE Annotated Anodyne O=C(O)c1ccccc1CN1CC[C@@]2(Cc3ccccc3CNC2=O)C1 ZINC000071994121 FE Annotated Anodyne O=C(O)c1ccccc1CN1CC[C@]2(Cc3ccccc3CNC2=O)C1 ZINC000071994122 FE Annotated Anodyne Cn1nc([C@@H]2CCNC2)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 ZINC000071995171 FE Annotated Anodyne Cn1nc([C@H]2CCNC2)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 ZINC000071995172 FE Annotated Anodyne O/N=C(\NCCN1CCOCC1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000072102170 FE Annotated Mild Cc1cccc(-c2nc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)co2)c1 ZINC000072102987 FE Annotated Anodyne Cc1cccc(-c2nc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)co2)c1 ZINC000072102988 FE Annotated Anodyne O=C(O)CCN1Cc2ccc(NC(=O)CCCC3CCNCC3)cc2C1=O ZINC000072104591 FE Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OCOC)c(OS(=O)(=O)O)cc12 ZINC000072106737 FE Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc3[nH]ccc3c2)cc1 ZINC000072107097 FE Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(F)c(F)c(F)c2)cc1 ZINC000072107359 FE Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)c(F)c2)cc1 ZINC000072107574 FE Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(F)cc(F)c2)cc1 ZINC000072107575 FE Annotated Anodyne CCOc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000072107820 FE Annotated Anodyne CCOc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1 ZINC000072107872 FE Annotated Anodyne CN(C)CCNCCC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O ZINC000072108226 FE Annotated Clean CCOc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000072108712 FE Annotated Anodyne CN(C)c1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000072108805 FE Annotated Anodyne Nc1ccc2c(-c3nc(N)ncc3I)c[nH]c2c1 ZINC000072109679 FE Annotated Anodyne C=C[C@H](C1=C[C@@](O)(CC(C)=O)C(OC)=CC1=O)c1ccc(OC)c(O)c1 ZINC000072109998 FE Annotated Mild in-vitro C=C[C@H](C1=C[C@](O)(CC(C)=O)C(OC)=CC1=O)c1ccc(OC)c(O)c1 ZINC000072109999 FE Annotated Mild in-vitro O=C1NCCN1c1ccc(S(=O)(=O)Oc2c(F)cccc2F)cc1 ZINC000072110859 FE Annotated Anodyne COc1cccc(OS(=O)(=O)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000072111037 FE Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)cc2F)cc1 ZINC000072111049 FE Annotated Anodyne O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1 ZINC000072114521 FE Annotated Anodyne O=C(CCOc1no[n+]([O-])c1-c1ccccc1)Oc1ccccc1C(=O)O ZINC000072118114 FE Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000072118506 FE Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000072118507 FE Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000072118508 FE Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000072118509 FE Annotated Anodyne O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2ccccc2oc1=O ZINC000072118660 FE Annotated Reactive Cc1ccc2c(c1)cc(/C=N/n1c(C)cc(C)c(C#N)c1=O)c1nnnn12 ZINC000072118768 FE Annotated Mild O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1 ZINC000072119643 FE Annotated Anodyne CN1CCO[C@H](CN2c3ccccc3N(c3ccccc3)S2(=O)=O)C1 ZINC000072120349 FE Annotated Anodyne CN1CCO[C@@H](CN2c3ccccc3N(c3ccccc3)S2(=O)=O)C1 ZINC000072120350 FE Annotated Anodyne COc1cccc(CN2c3nccc[n+]3C[C@@]2(O)c2ccc(F)cc2)c1 ZINC000072122015 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(C(F)(F)F)nc1)C2 ZINC000072122721 FE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(-c3ccc(F)cc3)cn1)C2 ZINC000072122758 FE Annotated Bother CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1F)N1C[C@@H](CC)C=N1 ZINC000072122866 FE Annotated Mild CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1F)N1C[C@H](CC)C=N1 ZINC000072122867 FE Annotated Mild COc1cc2c(c(O)c1OC)C(=O)c1cc(OC)c(OC)c(OC)c1C2=O ZINC000072123251 FE Annotated Clean OCCN1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 ZINC000072123405 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(F)cc3)ncn1)C2 ZINC000072124301 FE Annotated Bother O=C(O)CSc1ncnc2cc(I)sc12 ZINC000072124612 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(C(F)(F)F)nc1)C2 ZINC000072125752 FE Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(C(F)(F)F)cn1)C2 ZINC000072126002 FE Annotated Bother CC(=O)N1CC[C@H](c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1 ZINC000072127795 FE Annotated Anodyne CC(=O)N1CC[C@@H](c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1 ZINC000072127796 FE Annotated Anodyne Cc1ncsc1CCN(C)Cc1cc2n(n1)CCN(Cc1ncc[nH]1)C2 ZINC000072133702 FE Annotated Anodyne CC(=O)N1C[C@@H](CO)[C@@H](N(C)C(=O)c2ccco2)C[C@H]1c1ccccc1 ZINC000072136209 FE Annotated Anodyne O=C(Nc1cccc2ccccc12)OC[C@@H]1CSCCS(=O)(=O)N1 ZINC000072136482 FE Annotated Anodyne O=C(Nc1cccc2ccccc12)OC[C@H]1CSCCS(=O)(=O)N1 ZINC000072136483 FE Annotated Anodyne C=CCNC(=S)N1Cc2cc(Br)ccc2-n2nncc2C1 ZINC000072136617 FE Annotated Mild O=S1(=O)CCSCCN1Cc1cc(F)ccc1Br ZINC000072137523 FE Annotated Anodyne O=C1[C@@H]2CSCCS(=O)(=O)N2C(=O)N1c1cccc2ccccc12 ZINC000072137681 FE Annotated Anodyne O=C1[C@H]2CSCCS(=O)(=O)N2C(=O)N1c1cccc2ccccc12 ZINC000072137682 FE Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O ZINC000072138379 FE Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)OC)[C@@H]1C[C@@H]3O ZINC000072138380 FE Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O ZINC000072138381 FE Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)CC[C@@](C)(C(=O)OC)[C@@H]1C[C@@H]3O ZINC000072138382 FE Annotated Mild C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000072141006 FE Annotated Anodyne C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000072141007 FE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(C(F)(F)F)cn1)C2 ZINC000072142574 FE Annotated Mild COc1ccc2c(c1Cl)/C(=N/NC(=O)Cc1ccc(O)cc1)C(=O)N2 ZINC000072142655 FE Annotated Reactive N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cncc(Cl)c3)CC2)[C@H]1O ZINC000072153829 FE Annotated Anodyne Cc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CC[C@H](CO)[C@@H](O)C1 ZINC000072156362 FE Annotated Anodyne Nn1c(Cc2c(NC(=O)CCl)sc3c2CCCC3)n[nH]c1=S ZINC000072170673 FE Annotated Reactive O=C1c2cc3c(cc2OCN1CCc1ccncc1)C(=O)N1CCC[C@H]1O3 ZINC000072170885 FE Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1ccncc1)C(=O)N1CCC[C@@H]1O3 ZINC000072170886 FE Annotated Anodyne CN1CCC(Cc2noc(-c3cn(Cc4ccc(F)cc4)nn3)n2)CC1 ZINC000072171536 FE Annotated Anodyne O=C1OCC(OCCN2CCOCC2)=C1c1cccc(Br)c1 ZINC000072171881 FE Annotated Anodyne O=C1OCC(OCCN2CCOCC2)=C1c1ccc(Br)cc1 ZINC000072173345 FE Annotated Anodyne O=C1OCC(OCCNNc2ccc([N+](=O)[O-])cc2)=C1c1ccccc1 ZINC000072173602 FE Annotated Bother O=C1c2cc3c(cc2OCN1CCc1ccccn1)C(=O)N1CCC[C@H]1O3 ZINC000072174426 FE Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1ccccn1)C(=O)N1CCC[C@@H]1O3 ZINC000072174427 FE Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccnc1)C(=O)N1CCC[C@H]1O3 ZINC000072174976 FE Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccnc1)C(=O)N1CCC[C@@H]1O3 ZINC000072174977 FE Annotated Anodyne CC[C@H](CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CO ZINC000072176427 FE Annotated Anodyne CC(C)=CC[C@@H](OC(=O)CCO)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072177570 FE Annotated Mild O=C1Nc2c(cccc2[N+](=O)[O-])C(=O)/C1=N/Nc1ccccc1[N+](=O)[O-] ZINC000072177617 FE Annotated Mild O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])o2)S3)o1 ZINC000072178181 FE Annotated Bother O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])o2)S3)o1 ZINC000072178182 FE Annotated Bother Cc1ccc(N2C[C@]23C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1 ZINC000072178921 FE Annotated Mild Cc1ccccc1N1C[C@]12C(=O)O[C@@H]1[C@H]2CC[C@H](C)[C@]2(O)C=CC(=O)[C@@]12C ZINC000072178922 FE Annotated Mild Cc1cccc(N2C[C@]23C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)c1 ZINC000072179094 FE Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CN3c2ccccc2)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072179323 FE Annotated Mild O=C(c1ccc(-c2ccc(=O)[nH]n2)cc1)N1CCC[C@H]1CN1CCCC1 ZINC000072179772 FE Annotated Anodyne CCOC(=O)CNC(=O)OCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000072179839 FE Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2nnn(Cc3cccc(Cl)c3)n2)c1 ZINC000072179997 FE Annotated Anodyne N=C(N)NCCC[C@H]1NCCc2c1[nH]c1cc(Br)ccc21 ZINC000072180700 FE Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccncc3)[C@@H]1C2 ZINC000072182211 FE Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccncc3)[C@@H]1C2 ZINC000072182212 FE Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccncc3)[C@H]1C2 ZINC000072182213 FE Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccncc3)[C@H]1C2 ZINC000072182214 FE Annotated Anodyne CS(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072185028 FE Annotated Anodyne CS(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072185029 FE Annotated Anodyne Cc1ccccc1-c1nc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)co1 ZINC000072185119 FE Annotated Anodyne Cc1ccccc1-c1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)co1 ZINC000072185120 FE Annotated Anodyne Cc1ccc(/C(=N/O)N2CCN(C)CC2)c(OCc2ccccc2F)n1 ZINC000072185175 FE Annotated Mild COCC[C@@H]1[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000072190040 FE Annotated Anodyne in-vivo CCc1ncnc(N2CCC(O)(C(C)C)CC2)c1C#Cc1ccc(N)nc1 ZINC000072316387 FE Annotated Mild Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)/c(=N/O)c2ncccc21 ZINC000072317420 FE Annotated Anodyne N#Cc1[nH]nc2c1CN([C@H]1CS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000072317937 FE Annotated Anodyne CN1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)CC1 ZINC000072322779 FE Annotated Mild CN(C)C(=O)c1cc2ncc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1C ZINC000072323435 FE Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCCOC(C)C ZINC000072323514 FE Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1nc(C)cs1 ZINC000072323590 FE Annotated Mild O=C(O)C1(n2cccn2)CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000072410657 FE Annotated Anodyne Cc1nccn1C1(C(=O)O)CCN(Cc2ccc3nsnc3c2)CC1 ZINC000072473815 FE Annotated Anodyne CCOC(=O)c1c(C)[nH]c(/C(C)=N\NC(=O)Cn2nc(C)cc2C)c1C ZINC000073116287 FE Annotated Reactive Cc1nnsc1C(=O)NNC(=S)Nc1ccccc1C(F)(F)F ZINC000073129675 FE Annotated Reactive O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1 ZINC000073140328 FE Annotated Anodyne Cc1cn2c(/C=N\N=C(N)N)c(-c3ccc(F)c([N+](=O)[O-])c3)nc2s1 ZINC000073140766 FE Annotated Mild N#CCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000073141402 FE Annotated Mild CC[C@H](C)[C@H](N)C(=O)NNC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 ZINC000073156581 FE Annotated Reactive CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C#N)cc4)cc3OC[C@@H]12 ZINC000073161371 FE Annotated Mild CNc1nn2c(C)c(N(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1 ZINC000073161526 FE Annotated Anodyne CNc1nn2c(C)c(CN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1 ZINC000073161539 FE Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccncc4)cc3OC[C@@H]12 ZINC000073163136 FE Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4cccnc4)cc3OC[C@@H]12 ZINC000073163138 FE Annotated Anodyne Cc1ncc(Cn2nc(-c3nc(C(F)(F)F)n[nH]3)c3cccnc32)cn1 ZINC000073164418 FE Annotated Anodyne COC1=C[C@]2(Oc3ccc(Br)cc3C2=O)C(OC)=CC1=O ZINC000073164798 FE Annotated Mild COC1=C[C@@]2(Oc3ccc(Br)cc3C2=O)C(OC)=CC1=O ZINC000073164800 FE Annotated Mild C[C@@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@H]2CCN(C)C[C@H]12 ZINC000073164956 FE Annotated Anodyne C[C@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@H]2CCN(C)C[C@@H]21 ZINC000073164959 FE Annotated Anodyne C[C@@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@@H]2CCN(C)C[C@@H]21 ZINC000073164962 FE Annotated Anodyne C[C@H]1c2c([nH]c3ccc(NCS(N)(=O)=O)cc23)C[C@@H]2CCN(C)C[C@@H]21 ZINC000073164965 FE Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cccc(N)c4)cc3OC[C@@H]12 ZINC000073164991 FE Annotated Anodyne CC(C)(C)C(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 ZINC000073166826 FE Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@H]4CN(C)C[C@H]34)cc2)cc1 ZINC000073167862 FE Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@@H]4CN(C)C[C@H]34)cc2)cc1 ZINC000073167866 FE Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@H]4CN(C)C[C@@H]34)cc2)cc1 ZINC000073167869 FE Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(C3=NO[C@@H]4CN(C)C[C@@H]34)cc2)cc1 ZINC000073167872 FE Annotated Anodyne CN(C)c1ncc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)cn1 ZINC000073168378 FE Annotated Anodyne CS(=O)(=O)c1n[nH]c(-c2nc(Cc3ccccc3F)c3ccccn23)n1 ZINC000073195929 FE Annotated Anodyne CNc1nn2c(N)c(Cl)c(C)nc2c1S(=O)(=O)c1ccccc1 ZINC000073196033 FE Annotated Anodyne CC(C)CCN(C)Cc1cn(C[C@H](O)COC(=O)C2CCCCC2)nn1 ZINC000073197195 FE Annotated Anodyne CC(C)CCN(C)Cc1cn(C[C@@H](O)COC(=O)C2CCCCC2)nn1 ZINC000073197196 FE Annotated Anodyne CCCNC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(-c4ccccc4)cc32)N1 ZINC000073197598 FE Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(-c3nccn3C)nn2)ON1C ZINC000073197992 FE Annotated Anodyne Fc1ncncc1Cn1nc(-c2nc(C(F)(F)F)n[nH]2)c2cccnc21 ZINC000073198053 FE Annotated Anodyne COc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)c(O)c1O ZINC000073199669 FE Annotated Clean COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1O ZINC000073199670 FE Annotated Clean CC[C@]1(C)C=C2[C@@H](O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)CC1 ZINC000073220211 FE Annotated Anodyne CC(C)c1ccc(S(=O)(=O)n2nnnc2-c2ccc3c(c2)OCO3)cc1 ZINC000073220218 FE Annotated Anodyne CC[C@H](CO)Nc1ccc2c3c(cccc13)C(=O)N([C@H](CC)CO)C2=O ZINC000073221505 FE Annotated Anodyne O=C(O)/C=C/c1ccc2c(c1)O[C@@H](C(=O)O)[C@@H](c1cc(O)cc(O)c1)O2 ZINC000073222602 FE Annotated Anodyne Cn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 ZINC000073224365 FE Annotated Anodyne O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCOC[C@H]1Cc1ccccc1 ZINC000073224671 FE Annotated Anodyne O=C(O)/C=C/c1ccc2c(c1)O[C@H](c1cc(O)cc(O)c1)[C@H](C(=O)O)O2 ZINC000073240659 FE Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)[C@@H]1O)Nc1ccccc14)[C@@H]32 ZINC000073242743 FE Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N(C)c2ccccc2)cc1NC(C)=O ZINC000073258632 FE Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(CO)=C2CCC1=CCOC1=O ZINC000073276805 FE Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@]1(O)CCC1=CCOC1=O ZINC000073292267 FE Annotated Mild CCOC(=O)c1cn(Cc2cn[nH]n2)c2cc(Cl)c(F)cc2c1=O ZINC000073294275 FE Annotated Anodyne O=C(c1cnn2cccnc12)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073294414 FE Annotated Anodyne CC(=N\N)/C(C)=N/N=C(C)/C(C)=N/N=C(C)/C(C)=N/N=C(C)/C(C)=N/N ZINC000073294484 FE Annotated Mild O=C(c1cc2n(n1)CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073294839 FE Annotated Anodyne Cc1cc(NCCO)nc(-c2ccc(I)cc2)n1 ZINC000073295865 FE Annotated Anodyne Cc1ccc2c(c1)[C@]1(C(=O)N2C)C2=C(CN1C)C(=O)c1ccccc1C2=O ZINC000073312109 FE Annotated Mild Cc1ccc2c(c1)[C@@]1(C(=O)N2C)C2=C(CN1C)C(=O)c1ccccc1C2=O ZINC000073312111 FE Annotated Mild O=c1ccc(C(F)(F)F)cn1Cc1ccc(NCCOCCO)cc1 ZINC000073312799 FE Annotated Anodyne O=C1Nc2ccccc2/C1=N/Nc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000073314174 FE Annotated Mild CC(=O)N1C(=O)[C@@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000073315077 FE Annotated Mild CC(=O)N1C(=O)[C@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000073315079 FE Annotated Mild C#CCN1C(=O)[C@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000073388447 FE Annotated Mild C#CCN1C(=O)[C@@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000073388451 FE Annotated Mild COC1=C[C@@]2(OC)Oc3ccc(Br)cc3C(=O)C2=CC1=O ZINC000073402751 FE Annotated Mild COC1=C[C@]2(OC)Oc3ccc(Br)cc3C(=O)C2=CC1=O ZINC000073402754 FE Annotated Mild CN(C)CCN(C)C(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074374187 FE Annotated Anodyne CN(C)CCN(C)C(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074374191 FE Annotated Anodyne CC(C)NC(=O)c1nnc2n1CCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000074376004 FE Annotated Anodyne CC(C)NC(=O)c1nnc2n1CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000074376021 FE Annotated Anodyne COc1cccc(CN2CCn3c(nnc3C(=O)N3CCCCC3)C2)c1F ZINC000074376191 FE Annotated Anodyne CC(C)NC(=O)c1nnc2n1CCN(C(=O)c1ccc(C(C)C)cc1)C2 ZINC000074376293 FE Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1 ZINC000074377288 FE Annotated Anodyne COc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1 ZINC000074377297 FE Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)N3CCCCC3)OC2=NC1=O ZINC000074380137 FE Annotated Anodyne O=C(NCc1ccco1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000074380144 FE Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)N3CCCC3)OC2=NC1=O ZINC000074380169 FE Annotated Anodyne O=C(NCc1ccco1)C1=CN2CCN(Cc3ccccc3)C(=O)N=C2O1 ZINC000074380287 FE Annotated Anodyne CCN(C)C(=O)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000074385281 FE Annotated Anodyne COc1cccc(-c2cnn(C(C)(C)C(=O)NCc3ccccn3)c2)n1 ZINC000074387588 FE Annotated Anodyne O=C(Oc1ccc(Cl)c(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000007667287 FE Annotated Anodyne CC(NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)=C1C=CC(=O)C=C1 ZINC000007976523 FE Annotated Mild Cc1ccc(C)c(OCCC(=O)OCC(=O)NC(=O)NC2CCCC2)c1 ZINC000007983348 FE Annotated Anodyne CCn1c(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)c2ccccc21 ZINC000007991335 FE Annotated Anodyne Cc1nc(NCCO)c2nc(-c3ccccc3)n(CCCN(C)C)c2n1 ZINC000007991800 FE Annotated Anodyne COCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCN(C)C ZINC000007991814 FE Annotated Anodyne COC1(C#C[C@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1 ZINC000007992106 FE Annotated Mild COC1(C#C[C@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)CCCCC1 ZINC000007992108 FE Annotated Mild COC1(C#C[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)CCCCC1 ZINC000007992109 FE Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@H]1OC(C)=O ZINC000007992541 FE Annotated Mild CC(=O)OC[C@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O ZINC000007992542 FE Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O ZINC000007992543 FE Annotated Mild CN1C[C@@H](CS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21 ZINC000007997205 FE Annotated Clean in-vitro C=CC[C@@H]1C=C[C@@H](O/N=C\[C@@H](OC)[C@H](C)/C=C\CC(=O)OC)[C@@H](CO)O1 ZINC000007998427 FE Annotated Mild C[C@@H]1CC[C@H]2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000007998486 FE Annotated Anodyne Cc1ccc([C@@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077377535 FE Annotated Anodyne CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O ZINC000008214444 FE Annotated Bother in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000008242287 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000008242292 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000008299010 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000008299012 FE Annotated Mild in-man CCOC(=O)c1cnc2nc(NCc3ccc(OCC)cc3)nn2c1O ZINC000008324119 FE Annotated Anodyne Cn1ncnc1-c1ccnc(N2CCC([C@H](O)c3cccs3)CC2)n1 ZINC000082038041 FE Annotated Anodyne Cn1ncnc1-c1ccnc(N2CCC([C@@H](O)c3cccs3)CC2)n1 ZINC000082038043 FE Annotated Anodyne CN(Cc1ccc2nonc2c1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000082039433 FE Annotated Anodyne O=c1cc([C@H]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)C2)nc[nH]1 ZINC000082039552 FE Annotated Anodyne O=c1cc([C@@H]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)C2)nc[nH]1 ZINC000082039553 FE Annotated Anodyne CCN(CC)CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000082051385 FE Annotated Anodyne CCN(CC)CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 ZINC000082051386 FE Annotated Anodyne CCN(CC)CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000082051388 FE Annotated Anodyne CCN(CC)CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 ZINC000082051390 FE Annotated Anodyne COC(CN(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12)OC ZINC000082052207 FE Annotated Anodyne COC(CN(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21)OC ZINC000082052209 FE Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@@]1(O)N=C(c2ccccc2)NC1=O ZINC000082053185 FE Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@]1(O)N=C(c2ccccc2)NC1=O ZINC000082053186 FE Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)CCO)n2)cc1 ZINC000082066392 FE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCN)C3)co2)cc1 ZINC000082069464 FE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCN)C3)co2)cc1 ZINC000082069465 FE Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H](C(=O)OCC(C)(C)N(C)C)C2)cs1 ZINC000082069654 FE Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCC(C)(C)N(C)C)C2)cs1 ZINC000082069655 FE Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H](C(=O)OCCCCN(C)C)C2)cs1 ZINC000082069656 FE Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCCCCN(C)C)C2)cs1 ZINC000082069657 FE Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)N3CCCNCC3)cc2)cs1 ZINC000082069826 FE Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)NCc2ccccc2N)C(C)C)cs1 ZINC000082070018 FE Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)NCc2ccccc2N)C(C)C)cs1 ZINC000082070019 FE Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)NCCCN2CCCC2)C(C)C)cs1 ZINC000082070180 FE Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)NCCCN2CCCC2)C(C)C)cs1 ZINC000082070181 FE Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs1 ZINC000082070354 FE Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)OCC(C)(C)N(C)C)C(C)C)cs1 ZINC000082070356 FE Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)OCCCCN(C)C)C(C)C)cs1 ZINC000082070357 FE Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)OCCCCN(C)C)C(C)C)cs1 ZINC000082070358 FE Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](NC(=O)c1csc(CC)n1)C(C)C ZINC000082070359 FE Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1csc(CC)n1)C(C)C ZINC000082070360 FE Annotated Anodyne Nc1ccccc1CNC(=O)CNC(=O)c1csc(-c2ccccc2)n1 ZINC000082071882 FE Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)NCc3ccccc3N)co2)cc1 ZINC000082071931 FE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)NCc2ccccc2N)co1 ZINC000082071956 FE Annotated Anodyne CCCCN(CCCC)CCNC(=O)CNC(=O)c1csc(CC)n1 ZINC000082072154 FE Annotated Anodyne CN(C)C(C)(C)COC(=O)CNC(=O)c1csc(-c2ccccc2)n1 ZINC000082072227 FE Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000082072266 FE Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)OCCCCN(C)C)co2)cc1 ZINC000082072269 FE Annotated Anodyne CCCCOC(=O)COC(=O)CNC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082072271 FE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)OCC(C)(C)N(C)C)co1 ZINC000082072295 FE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)OCCCCN(C)C)co1 ZINC000082072296 FE Annotated Anodyne CCCCOC(=O)COC(=O)CNC(=O)c1coc(-c2ccccc2C)n1 ZINC000082072298 FE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCN(C)C)co2)cc1 ZINC000082073390 FE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCN(C)C)co2)cc1 ZINC000082073392 FE Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082073517 FE Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H]2C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082073518 FE Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1csc(CC)n1 ZINC000082073525 FE Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1csc(CC)n1 ZINC000082073527 FE Annotated Anodyne NCCOC(=O)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 ZINC000082081834 FE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(N)=O)C(C)C)cs2)c1 ZINC000082082329 FE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(N)=O)C(C)C)cs2)c1 ZINC000082082330 FE Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(C)C ZINC000082082639 FE Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCN(C)C ZINC000082082641 FE Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccccc1N ZINC000082082984 FE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccccc1N ZINC000082082986 FE Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)c(OC)c3)cc2n1CCOC ZINC000082083015 FE Annotated Anodyne CNc1nc2cnc(Nc3ccc(S(C)(=O)=O)cc3)cc2n1CC1CC1 ZINC000082083218 FE Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCCC1 ZINC000082083281 FE Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN ZINC000082083508 FE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCN ZINC000082083509 FE Annotated Anodyne O=C1c2nc(N3CCOCC3)ccc2CN1C/C(O)=N/Cc1ccccc1 ZINC000082083665 FE Annotated Mild CCC#CCOC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082083714 FE Annotated Mild CCC#CCOC(=O)[C@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082083717 FE Annotated Mild Cc1cc(Nc2ccc3c(n2)C(=O)N([C@H](C)/C(O)=N/C2CC2)C3)n(C)n1 ZINC000082083845 FE Annotated Mild COC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082083850 FE Annotated Anodyne COC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082083852 FE Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082083900 FE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082083904 FE Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCCCN(C)C ZINC000082083908 FE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCCCN(C)C ZINC000082083911 FE Annotated Anodyne Nc1ccccc1CNC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084793 FE Annotated Anodyne CCCCOCCCNC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084796 FE Annotated Anodyne CCCCNC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084840 FE Annotated Bother CCCCNC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084892 FE Annotated Bother O=C(NCC(=O)N1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084898 FE Annotated Bother CN(C)C(C)(C)COC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084962 FE Annotated Anodyne CN(C)CCCCOC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084963 FE Annotated Anodyne CCCCOC(=O)COC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084964 FE Annotated Anodyne CCCCOCCOC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084968 FE Annotated Anodyne O=C(CNC(=O)c1coc(-c2cccs2)n1)OCCc1ccccn1 ZINC000082084969 FE Annotated Anodyne CCC#CCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084972 FE Annotated Mild CN(C)CCOC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084985 FE Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085523 FE Annotated Anodyne CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085524 FE Annotated Anodyne CN(CC(=O)NCc1ccccc1N)C(=O)c1coc(-c2cccs2)n1 ZINC000082085656 FE Annotated Anodyne CN(CC(=O)N1CCCCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085709 FE Annotated Anodyne CN(CC(=O)OCCN)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085712 FE Annotated Anodyne CN(CC(=O)OCCN)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085746 FE Annotated Anodyne CCC#CCOC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085779 FE Annotated Mild COC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082085808 FE Annotated Anodyne CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1coc(-c2cccs2)n1 ZINC000082085817 FE Annotated Anodyne CN(C)CCCCOC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 ZINC000082085818 FE Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086283 FE Annotated Bother O=C(N[C@H]1CCCCNC1=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086284 FE Annotated Bother CN(C)CCOCCOC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086421 FE Annotated Bother C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN ZINC000082086518 FE Annotated Anodyne C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCN ZINC000082086519 FE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCCC1 ZINC000082088152 FE Annotated Anodyne O[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H]1CO[C@@H]2c1ccc2c(c1)OCO2 ZINC000082123262 FE Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccccc2)n1 ZINC000082132823 FE Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000082140312 FE Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(F)cc1 ZINC000082141176 FE Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(F)cc1 ZINC000082141177 FE Annotated Anodyne CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)CC1 ZINC000082141990 FE Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccco2)n1 ZINC000082142180 FE Annotated Anodyne COCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccco2)n1 ZINC000082142589 FE Annotated Mild CCN(C)c1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccco2)n1 ZINC000082142596 FE Annotated Mild CCN(C)c1ncc(C(=O)NCCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148247 FE Annotated Bother COCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149064 FE Annotated Bother Cc1ccc(F)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12 ZINC000082150250 FE Annotated Mild CCN(C)C(=O)c1cnc(NCCOC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150297 FE Annotated Bother COc1cc(-n2nncc2-c2ccc3c(c2O)OCO3)cc(OC)c1OC ZINC000082150712 FE Annotated Anodyne O=C(O)c1cc(-c2ccccc2)c(=O)n2c1S(=O)(=O)c1ccc(F)cc1-2 ZINC000082152917 FE Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3nccn3C)nn2)ON1C ZINC000082153872 FE Annotated Anodyne Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)n1 ZINC000082154312 FE Annotated Anodyne Cn1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)n1 ZINC000082154317 FE Annotated Anodyne CCOC(=O)c1cn(CC)c2ccc(/C=C/CN3CCNCC3)cc2c1=O ZINC000082156189 FE Annotated Anodyne O=C(O)/C=C1\CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc21 ZINC000082157042 FE Annotated Bother O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)N(CCO)CCO ZINC000082157061 FE Annotated Anodyne COc1cc(C)c(S(=O)(=O)NCc2c(C)nn(C)c2C)c(C)c1C ZINC000082157314 FE Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)CC1 ZINC000082165731 FE Annotated Anodyne Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)o1 ZINC000082165800 FE Annotated Anodyne Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)o1 ZINC000082165802 FE Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177846 FE Annotated Anodyne CC(=O)NCCn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 ZINC000082177926 FE Annotated Anodyne CC(=O)Nc1ccc(-c2csc(NCC(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000082193701 FE Annotated Anodyne CC(=O)Nc1ccc(-c2csc(NCC(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000082193704 FE Annotated Anodyne CC(=O)Nc1cccc(-c2csc(NCC(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082193707 FE Annotated Anodyne CC(=O)Nc1cccc(-c2csc(NCC(=O)NC[C@H]3CCCO3)n2)c1 ZINC000082193708 FE Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3 ZINC000082195992 FE Annotated Anodyne CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196011 FE Annotated Anodyne CC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196022 FE Annotated Anodyne CC(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196191 FE Annotated Anodyne CC(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196227 FE Annotated Anodyne CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196247 FE Annotated Anodyne C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196322 FE Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000082198569 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000082198570 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000082198571 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082198575 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082198576 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082198577 FE Annotated Anodyne COc1cccc(CNc2nc(N(C)CCN(C)C)ncc2C)c1OC ZINC000082202796 FE Annotated Anodyne COc1cc(CNc2nc(N(C)CCN(C)C)ncc2C)cc(OC)c1 ZINC000082202798 FE Annotated Anodyne COc1ccc(OC)c(CCNc2nc(N(C)CCN(C)C)ncc2C)c1 ZINC000082202806 FE Annotated Anodyne COc1ccc(CCNc2nc(N(C)CCN(C)C)ncc2C)cc1OC ZINC000082202808 FE Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N(C)CCN(C)C)ncc1C ZINC000082202813 FE Annotated Anodyne CCOCCCNc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082203337 FE Annotated Anodyne CCSCCNc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203369 FE Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCCOC(C)C ZINC000082203589 FE Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCCNc1ccccc1 ZINC000082203693 FE Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCNc3ccccc3)n2)C1 ZINC000082203721 FE Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCNc3ccccc3)n2)C1 ZINC000082203725 FE Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(NCCc3cccc(F)c3)n2)C1 ZINC000082203747 FE Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCCc3cccc(F)c3)n2)C1 ZINC000082203749 FE Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(NCc3ccc(N(C)C)cc3)n2)C1 ZINC000082204306 FE Annotated Clean CC(=O)N[C@@H]1CCN(c2ncc(C)c(NCc3ccc(N(C)C)cc3)n2)C1 ZINC000082204308 FE Annotated Clean O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204554 FE Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204566 FE Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 ZINC000082204592 FE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 ZINC000082204741 FE Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 ZINC000082204746 FE Annotated Anodyne CCCn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205200 FE Annotated Anodyne CC(C)n1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205263 FE Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205613 FE Annotated Mild COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205672 FE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205820 FE Annotated Anodyne COCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205823 FE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205958 FE Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206016 FE Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206024 FE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206059 FE Annotated Anodyne CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206171 FE Annotated Anodyne CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206174 FE Annotated Anodyne CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206179 FE Annotated Anodyne CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206182 FE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206261 FE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206262 FE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206268 FE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206269 FE Annotated Anodyne COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206384 FE Annotated Anodyne COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206387 FE Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206502 FE Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206504 FE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206632 FE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206634 FE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206808 FE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206809 FE Annotated Anodyne C[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207099 FE Annotated Anodyne C[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207100 FE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C)N2 ZINC000082207118 FE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C)N2 ZINC000082207120 FE Annotated Anodyne C[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207126 FE Annotated Anodyne C[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207129 FE Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C)N3)cc1 ZINC000082207133 FE Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C)N3)cc1 ZINC000082207134 FE Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C)N2 ZINC000082207252 FE Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C)N2 ZINC000082207254 FE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207549 FE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207551 FE Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207902 FE Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207905 FE Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207911 FE Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207915 FE Annotated Anodyne CC[C@@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208042 FE Annotated Anodyne CC[C@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208046 FE Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208055 FE Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208058 FE Annotated Anodyne C=CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208457 FE Annotated Mild C=CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208458 FE Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082209268 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082209272 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082209275 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082209277 FE Annotated Anodyne COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209661 FE Annotated Anodyne COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209662 FE Annotated Anodyne C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210793 FE Annotated Anodyne C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210794 FE Annotated Anodyne C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211005 FE Annotated Anodyne C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211008 FE Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 ZINC000082211202 FE Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211204 FE Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211291 FE Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211294 FE Annotated Anodyne C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211326 FE Annotated Anodyne C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211329 FE Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@H](C)CN3)cc1 ZINC000082211366 FE Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H](C)CN3)cc1 ZINC000082211369 FE Annotated Anodyne C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082211464 FE Annotated Anodyne C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082211467 FE Annotated Anodyne C=CCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211485 FE Annotated Mild C=CCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211486 FE Annotated Mild Cc1ncsc1CCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@H](C)CN2 ZINC000082211674 FE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@@H](C)CN2 ZINC000082211677 FE Annotated Anodyne C[C@@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212116 FE Annotated Anodyne C[C@H]1CNc2c(NCC3CCCCC3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212118 FE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](C)CN2 ZINC000082212138 FE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](C)CN2 ZINC000082212140 FE Annotated Anodyne C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212147 FE Annotated Anodyne C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212151 FE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](C)CN2 ZINC000082212305 FE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](C)CN2 ZINC000082212307 FE Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1NCc1ccc(N(C)C)cc1 ZINC000082212951 FE Annotated Clean CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082213034 FE Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082213036 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220222 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220224 FE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220225 FE Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224191 FE Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224196 FE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224206 FE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224208 FE Annotated Anodyne COCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082227959 FE Annotated Anodyne Cc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231283 FE Annotated Anodyne CSCCc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231399 FE Annotated Anodyne COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(C)nc3n2)cc1OC ZINC000082231665 FE Annotated Anodyne CCOC(=O)CCc1nc2nc(N(C)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231682 FE Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@@H](C)C[C@@H](C)C3)ccc2[nH]c1=O ZINC000082232173 FE Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@@H](C)C[C@H](C)C3)ccc2[nH]c1=O ZINC000082232174 FE Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@H](C)C[C@@H](C)C3)ccc2[nH]c1=O ZINC000082232175 FE Annotated Anodyne O=C1C=CC[C@H](/C=C/C[C@@H]2C[C@@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 ZINC000084154392 FE Annotated Anodyne in-vitro biogenic O=C1C=CC[C@H](/C=C/C[C@@H]2C[C@H](O)[C@H](O)[C@@H](/C=C/c3ccccc3)O2)O1 ZINC000084154407 FE Annotated Anodyne in-vitro biogenic O=C1C=CC[C@H](/C=C/C[C@@H]2C[C@@H](O)[C@@H](O)[C@H](/C=C/c3ccccc3)O2)O1 ZINC000084154417 FE Annotated Anodyne in-vitro biogenic C(CCCN1CC[N+]2(CCCC2)CC1)CCN1CC[N+]2(CCCC2)CC1 ZINC000084462632 FE Annotated Bother COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(N)c1N ZINC000084538149 FE Annotated Anodyne O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCC(O)CC1 ZINC000084586976 FE Annotated Anodyne O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCOCC1 ZINC000084596546 FE Annotated Anodyne COc1ccc(NC[C@@]2(C)C[C@@H](O)CC(C)(C)C2)cc1S(N)(=O)=O ZINC000084605191 FE Annotated Anodyne Cc1nnc2n(NC(=S)NC34CC5CC(CC(C5)C3)C4)c(C)nnc1-2 ZINC000084616387 FE Annotated Anodyne O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCCCC1 ZINC000084616818 FE Annotated Anodyne COc1cc(-c2cn([C@@H]3CCCCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084617749 FE Annotated Anodyne COc1cc(-c2cn([C@H]3CCCCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084617751 FE Annotated Anodyne C[C@@H](/C(O)=N/c1ncn[nH]1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000084618875 FE Annotated Unstable CNc1nnc(Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)s1 ZINC000084619491 FE Annotated Anodyne O=C(NN1C(=O)CCS[C@@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000084631959 FE Annotated Bother O=C(NN1C(=O)CCS[C@H]1c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000084631961 FE Annotated Bother O=C(NN1C(=O)CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000084631966 FE Annotated Bother O=C(NN1C(=O)CCS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000084631967 FE Annotated Bother C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)C(=O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O ZINC000084632284 FE Annotated Mild COc1cc([C@H]2SCCC(=O)N2NC(=O)c2ccncc2)ccc1O ZINC000084633474 FE Annotated Anodyne COc1cc([C@@H]2SCCC(=O)N2NC(=O)c2ccncc2)ccc1O ZINC000084633476 FE Annotated Anodyne C[C@@H](C(=O)Nc1nnco1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000084634279 FE Annotated Unstable CN(C)c1ccc([C@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc1 ZINC000084635378 FE Annotated Clean CN(C)c1ccc([C@@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc1 ZINC000084635379 FE Annotated Clean Cc1noc2c(Cc3ccccc3)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 ZINC000084635747 FE Annotated Anodyne COc1cc(O)c2c(c1)[C@]13CCN4CC[C@H](C[C@@H]1N2C(C)=O)C1=CCO[C@]143 ZINC000084651879 FE Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn([C@@H]3CCC[C@H]3O)c2n1 ZINC000084651957 FE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000084652863 FE Annotated Bother CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000084653597 FE Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000084653598 FE Annotated Reactive Cc1ccc2nc(C)n(NC(=O)/C(C#N)=C/c3ccc(O)cc3)c(=O)c2c1 ZINC000084653603 FE Annotated Reactive CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(CCO)[C@@H]1c1ccccc1 ZINC000084655421 FE Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(CCO)[C@H]1c1ccccc1 ZINC000084655423 FE Annotated Anodyne CC/C=C\C[C@H]1C(=O)C=C[C@H]1CC(=O)OCCOCCOCCOC ZINC000084669404 FE Annotated Mild C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(Cc3cn[nH]c3)c2n1 ZINC000084670265 FE Annotated Anodyne O=C(O)C(=O)N[C@@H](CSSc1ccc2ccccc2c1)C(=O)O ZINC000084670546 FE Annotated Reactive O=C(O)Cn1cnc2c1CCN(C(=O)c1csc(-c3ccccc3)n1)C2 ZINC000084671127 FE Annotated Anodyne COc1cc2c(cc1OS(N)(=O)=O)C[C@@H](C)N(Cc1ccccc1)C2 ZINC000084671485 FE Annotated Anodyne COc1cc2c(cc1OS(N)(=O)=O)C[C@H](C)N(Cc1ccccc1)C2 ZINC000084671486 FE Annotated Anodyne O=C1c2ccccc2C(=O)c2c(-c3cc[n+](Cc4cnccn4)cc3)noc21 ZINC000084671787 FE Annotated Clean C#CCN1C/C(=C\I)OC(=O)[C@@H]1c1ccccc1 ZINC000084672011 FE Annotated Mild Cc1cc(NC[C@@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1 ZINC000084672447 FE Annotated Anodyne CCc1cc(NC[C@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1 ZINC000084672448 FE Annotated Anodyne CCc1cc(NC[C@@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1 ZINC000084672449 FE Annotated Anodyne Cc1cc(NC[C@H](O)CO)nc(-c2ccc(Br)c(F)c2)n1 ZINC000084687252 FE Annotated Anodyne CC(C)c1c(Cn2nnc3ccccc32)cc(=O)n2c1SC[C@H]2C(=O)O ZINC000084687331 FE Annotated Anodyne COC(=O)c1cc2c(s1)C(=O)C(Cl)=C([n+]1ccc(C#N)cc1)C2=O ZINC000084687609 FE Annotated Mild COC(=O)c1cc2c(s1)C(=O)C(Cl)=C([n+]1ccc(OC)cc1)C2=O ZINC000084687610 FE Annotated Mild CC(C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1CSC2=O ZINC000084687770 FE Annotated Anodyne O=C(/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1)NCCCCO ZINC000084688661 FE Annotated Anodyne O=C(O)[C@@H]1CSc2c(C3CC3)c(Cn3nnc4ccccc43)cc(=O)n21 ZINC000084706053 FE Annotated Anodyne O=C1NC(=O)C(c2c(-n3cccn3)[nH]c3ccccc23)=C1Br ZINC000084706672 FE Annotated Anodyne C#CCOc1ccc(NC(=O)CN2CCCC2)cc1C(=O)NCCCC ZINC000084707110 FE Annotated Mild CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000084707131 FE Annotated Mild Cc1ccc2[nH]c(-n3cccn3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000084707794 FE Annotated Anodyne COC(=O)c1c(C(F)(F)F)nn(Cc2ccc(F)cc2)c(=O)c1OC ZINC000084708551 FE Annotated Anodyne CNCc1cc(-c2ccccc2C#N)n(S(=O)(=O)c2cccnc2)c1 ZINC000084710146 FE Annotated Mild O=C(NCCCCn1cnc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000084710529 FE Annotated Bother COC(=O)c1cc2c(s1)C(=O)c1c(C(=O)OC)c3ccccn3c1C2=O ZINC000084711333 FE Annotated Clean N#CC1=C(N)OC2=C(C(=O)CN(C(=O)c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000084713441 FE Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CN(C(=O)c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000084713443 FE Annotated Reactive O=C1c2ccccc2C(=O)c2c(-c3ccc[n+](Cc4cnccn4)c3)noc21 ZINC000084714114 FE Annotated Clean CCOP(=O)(OCC)OCCCO[C@H]1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12 ZINC000084714469 FE Annotated Anodyne CN(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O ZINC000084724300 FE Annotated Anodyne COCCN1CCN(c2ccnc(-n3cnc4cc(C)c(C)cc43)n2)CC1 ZINC000084733632 FE Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(=O)C(C)C)[C@H]3C1)OCO5 ZINC000084740026 FE Annotated Anodyne COc1cc(/C=C/C(=O)OCc2c(-c3ccccc3)no[n+]2[O-])ccc1O ZINC000084741413 FE Annotated Anodyne CCOC(=O)c1c(CN2CCOCC2)oc2c1C(=O)C(=O)c1ccccc1-2 ZINC000084742344 FE Annotated Clean CCOC(=O)Cc1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084757062 FE Annotated Anodyne CCOC(=O)Cc1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000084757064 FE Annotated Anodyne O=C1c2c[n+]([O-])c3ccccc3c2C(=O)c2c1c1ccccc1n2CCO ZINC000084758951 FE Annotated Clean COC(=O)/N=c1/[nH]c2ccc(NS(=O)(=O)c3cccs3)cc2[nH]1 ZINC000008565135 FE Annotated Anodyne Cc1cccc(C)c1OCC(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008579466 FE Annotated Reactive COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)O)c(O)n3n2)c1 ZINC000008580342 FE Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)NC[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000008585519 FE Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)NC[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000008585520 FE Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)NC[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000008585521 FE Annotated Anodyne C[C@H]1CC[C@H]2C(=O)NC[C@H](O)CN2[C@@H]1c1ccc(Br)cc1 ZINC000008585522 FE Annotated Anodyne COc1cccc(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)c1 ZINC000008588322 FE Annotated Anodyne O=C(CCn1c(=O)c2cccn2c2cccnc21)NCc1ccccc1F ZINC000008588953 FE Annotated Anodyne COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(C)c2c(C)nn(C)c21 ZINC000008603850 FE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCCC(C)C ZINC000008604795 FE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCCC[C@@H]1C ZINC000008604857 FE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCCC[C@H]1C ZINC000008604859 FE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCC(C)CC1 ZINC000008604863 FE Annotated Anodyne COCCCNC(=O)CN1C(=O)c2cccnc2Sc2ccccc21 ZINC000008605768 FE Annotated Anodyne N#CCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br ZINC000008606860 FE Annotated Mild Cc1ccc(NC(=O)CN2CCN(C3CCCCC3)C(=O)C2=O)cc1C ZINC000008608544 FE Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(C)ccc1C ZINC000008619060 FE Annotated Anodyne O=C(CN1CCN(C2CCCCC2)C(=O)C1=O)Nc1ccc(Cl)cc1 ZINC000008619488 FE Annotated Anodyne Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000008661248 FE Annotated Anodyne COCCNC(=O)c1onc(CSc2ccccc2C)c1C(=O)O ZINC000008672429 FE Annotated Anodyne Cc1cc(C)c2cc([C@H](O)c3nnnn3Cc3ccccc3)c(=O)[nH]c2c1 ZINC000008674187 FE Annotated Anodyne Cc1cc(C)c2cc([C@@H](O)c3nnnn3Cc3ccccc3)c(=O)[nH]c2c1 ZINC000008674188 FE Annotated Anodyne Cc1cccc(C)c1NC(=O)C1(NC(=O)[C@@H]2CCC(=O)N2)CCCCC1 ZINC000008684171 FE Annotated Anodyne Cc1cccc(C)c1NC(=O)C1(NC(=O)[C@H]2CCC(=O)N2)CCCCC1 ZINC000008684172 FE Annotated Anodyne COC(=O)N[C@H](c1ccccc1)[C@]1(C(=O)OC)C(=O)Cc2ccccc21 ZINC000008689925 FE Annotated Anodyne COC(=O)N[C@H](c1ccccc1)[C@@]1(C(=O)OC)C(=O)Cc2ccccc21 ZINC000008689926 FE Annotated Anodyne COC(=O)N[C@@H](c1ccccc1)[C@]1(C(=O)OC)C(=O)Cc2ccccc21 ZINC000008689927 FE Annotated Anodyne COC(=O)N[C@@H](c1ccccc1)[C@@]1(C(=O)OC)C(=O)Cc2ccccc21 ZINC000008689928 FE Annotated Anodyne COCCNC(=O)c1onc(CSc2cccc(C)c2)c1C(=O)O ZINC000008691353 FE Annotated Anodyne COCCNC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O ZINC000008691396 FE Annotated Anodyne COCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O ZINC000008691399 FE Annotated Anodyne CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1NCCO ZINC000008710680 FE Annotated Anodyne CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccccc1NCCO ZINC000008710681 FE Annotated Anodyne CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)[C@](C)(O)C(=O)C2=CO1 ZINC000008860616 FE Annotated Mild CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)[C@@](C)(O)C(=O)C2=CO1 ZINC000008860617 FE Annotated Mild CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 ZINC000008860628 FE Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 ZINC000008860629 FE Annotated Mild C[C@@H]1N[C@H]([C@@H]2CC[C@@H](CCCCC[C@@H](O)CC(=O)O)[C@H](O)C2)CC[C@H]1O ZINC000085488235 FE Annotated Anodyne in-vitro biogenic C[C@H]1[C@H](O)CC[C@H]2C[C@@H]([C@H](O)CCCCCC[C@@H](O)CC(=O)O)CCN21 ZINC000085488267 FE Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H](CCCCCC[C@H](CO)CC[C@@H](O)CC(=O)O)CC[C@H]1O ZINC000085488298 FE Annotated Anodyne in-vitro biogenic CNC[C@@](O)(CCCCCCCCC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O ZINC000085488307 FE Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000085489111 FE Annotated Mild in-vitro biogenic COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@H]([C@@H](C)CO)[C@@H]1C[C@H]23 ZINC000085504724 FE Annotated Anodyne in-vitro biogenic C/C=C1\C[N+]2([O-])CC[C@]34C(=O)c5ccccc5N3[C@@H](C(=O)OC)[C@@H]1C[C@H]42 ZINC000085506206 FE Annotated Bother in-vitro biogenic C[C@@]12c3ccc4c(c3CN[C@@H]1c1cc3c(cc1C[C@H]2O)OCO3)OCO4 ZINC000085509395 FE Annotated Anodyne in-vitro biogenic O=C1CC[C@@H]2[C@@H]3N1c1ccccc1[C@@]31CC[N+]3([O-])C/C(=C\CO)[C@@H]2C[C@@H]13 ZINC000085510056 FE Annotated Bother in-vitro biogenic CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@H]42 ZINC000085511390 FE Annotated Anodyne in-vitro biogenic CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@H]3O[C@H]31)[C@H]42 ZINC000085511392 FE Annotated Anodyne in-vitro biogenic COC1=CC[C@]23CCN(C)[C@@]24C[C@H](O[C@@]14O)c1ccc(OC)c(OC)c13 ZINC000085531658 FE Annotated Anodyne in-vitro biogenic COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@H]34)[C@@]2(C)C1=O ZINC000085531745 FE Annotated Mild in-vitro biogenic COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000085534345 FE Annotated Anodyne CNCCNC[C@H]1CCC[C@@]12C[C@@H]1[C@H]2[C@@H](O)C[C@]2(C)CCC[C@@]1(O)C2 ZINC000085547576 FE Annotated Anodyne in-vitro biogenic C=C(C)[C@]12CC#C[C@@H](NC(=N)NC)C[C@]3(O)CC[C@@H]([C@@H]3C1)[C@](C)(O)CC2 ZINC000085549795 FE Annotated Mild in-vitro biogenic CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@]1(C)O ZINC000085552709 FE Annotated Mild C[C@@H]1CO[C@@H]2C3=C(C(=O)C=CC3=O)[C@H]3OC(=O)[C@@H]4CC[C@H]5[C@@H]1CC[C@@]25[C@@H]34 ZINC000085552893 FE Annotated Mild CC(C)C1=C[C@@]2(O)OO[C@@H]3CC4=C(COC4=O)[C@@H]4CCC(=C2[C@]43C)C1=O ZINC000085554081 FE Annotated Reactive C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@H](O)C(CO)=CC2=O ZINC000085560409 FE Annotated Mild COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2C[C@]4(O[C@@H]4C)[C@@H]1C[C@H]23 ZINC000085567352 FE Annotated Anodyne COC(=O)C1=C2Nc3c(OC)cccc3[C@@]23CCN2C[C@]4(O[C@@H]4C)[C@@H]1C[C@H]23 ZINC000085567364 FE Annotated Anodyne CC(C)=CC[C@@]12O[C@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O ZINC000085592771 FE Annotated Clean in-vitro biogenic C=C1C(C=O)=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H](C(C)(C)O)O3 ZINC000085595049 FE Annotated Reactive in-vitro biogenic CCCCc1oc(CCc2ccc(O)c(OC[C@H](O)CO)c2)cc1CO ZINC000085624430 FE Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1[C@@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@@]23OC(=O)[C@H](C)[C@@]12O3 ZINC000085642917 FE Annotated Anodyne biogenic C/C=C(/C)C(=O)O[C@H]1[C@@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@]12O3 ZINC000085642925 FE Annotated Anodyne biogenic COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2(C)C[C@@H]([C@H](C)O)[C@@H]1C[C@@H]32 ZINC000085663286 FE Annotated Bother COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2(C)C[C@H]([C@H](C)O)[C@@H]1C[C@@H]32 ZINC000085663288 FE Annotated Bother COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2(C)C[C@H]([C@@H](C)O)[C@@H]1C[C@@H]32 ZINC000085663290 FE Annotated Bother C/C=C(\C)C(=O)O[C@@H]1[C@]2(C)[C@H](C)[C@H](O)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000085675964 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1[C@]2(C)[C@H](C)[C@H](O)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000085675966 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1[C@@]2(C)[C@H](C)[C@H](O)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000085675969 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)[C@H](C)[C@H](O)CC[C@@H]2C[C@@]23OC(=O)[C@@H](C)[C@@]12O3 ZINC000085675972 FE Annotated Anodyne in-man C[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@H](O)[C@@]2(C)O)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000085690230 FE Annotated Anodyne C[C@@]1(O)[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1C(=O)OC[C@@]12CC(=O)c1ccoc1 ZINC000085690232 FE Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H]2O[C@@H]21 ZINC000085693200 FE Annotated Anodyne C[C@@H]1CC[C@]2(C)[C@@](C)(O)[C@H](O)CC[C@]2(O)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000085723317 FE Annotated Anodyne C=C(C)[C@@H]1C/C=C(\C(=O)OC)CC(=O)C[C@]2(C)CC(=O)[C@H](CC(=O)C1)O2 ZINC000085725032 FE Annotated Mild C/C=C(/C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 ZINC000085725302 FE Annotated Mild COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC(=O)N3C[C@@H]2OC ZINC000085730428 FE Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]23CO3)C1(C)C ZINC000085775195 FE Annotated Anodyne C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800046 FE Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800047 FE Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800049 FE Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000085800050 FE Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@@](C)(C(=O)O)CCC[C@]13C=O ZINC000085800053 FE Annotated Mild in-man C=C1[C@H]2CC[C@H]3[C@](C2)([C@H]1O)[C@@H](C(=O)O)[C@@H]1[C@](C)(C(=O)O)CCC[C@@]31C=O ZINC000085800055 FE Annotated Mild in-man C=C1[C@H]2CC[C@@H]3[C@@]4(C=O)CCC[C@](C)(C(=O)O)[C@H]4[C@H](C(=O)O)[C@@]3(C2)[C@H]1O ZINC000085800056 FE Annotated Mild in-man C=C1[C@H]2CC[C@@H]3[C@@]4(C=O)CCC[C@@](C)(C(=O)O)[C@H]4[C@H](C(=O)O)[C@@]3(C2)[C@H]1O ZINC000085800058 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085800182 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085800184 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085800186 FE Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085800188 FE Annotated Mild in-man C=C1[C@H](O)[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 ZINC000085800190 FE Annotated Mild in-man C=C1[C@H](O)[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 ZINC000085800191 FE Annotated Mild in-man C=C1[C@H](O)[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 ZINC000085800193 FE Annotated Mild in-man C=C1[C@H](O)[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 ZINC000085800195 FE Annotated Mild in-man CCO[C@H]1O[C@H]2CN(C)[C@H]3C[C@@H](OC)C=C[C@]32c2cc3c(cc21)OCO3 ZINC000085808167 FE Annotated Anodyne in-vitro biogenic CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@@H](C)[C@H]4C[C@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C ZINC000085814783 FE Annotated Anodyne in-man CC1=C(O)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)[C@H]4C[C@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C ZINC000085814785 FE Annotated Anodyne in-man CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@@H](C)[C@H]4C[C@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C ZINC000085814787 FE Annotated Anodyne in-man CC1=C(O)[C@@H]2O[C@@]3(O)C(=O)C[C@H](C)[C@H]4C[C@H]5OC(=O)C=C1[C@@]5(C)[C@H]2[C@@]43C ZINC000085814788 FE Annotated Anodyne in-man C/C=C1/C[N+]2([O-])CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](CO)[C@H]1C[C@@H]42 ZINC000085835309 FE Annotated Bother C/C=C1/CN2CC[C@]34c5cccc(O)c5N(C(C)=O)[C@H]3[C@@H](C=O)[C@H]1C[C@H]24 ZINC000085835324 FE Annotated Mild CC1=C2C[C@@H](O)C=C3C(=O)OC[C@@]32C=CC2=C1[C@H](c1ccoc1)OC2=O ZINC000085843913 FE Annotated Anodyne CC1=C2C[C@@H](O)C=C3C(=O)OC[C@]32C=CC2=C1[C@H](c1ccoc1)OC2=O ZINC000085843922 FE Annotated Anodyne C=C[C@]12C=CC[N+]3([O-])CC[C@@]4(c5ccccc5NC(=O)[C@@]4(C(=O)OC)C1)[C@H]23 ZINC000085848108 FE Annotated Mild CC(=O)OC[C@@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2 ZINC000085849319 FE Annotated Anodyne in-man CC(=O)OC[C@@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2 ZINC000085849323 FE Annotated Anodyne in-man CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2 ZINC000085849327 FE Annotated Anodyne in-man CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2 ZINC000085849331 FE Annotated Anodyne in-man O=C(c1ccc2c(c1)OCO2)[C@@H]1CO[C@@H](c2ccc3c(c2)OCO3)[C@@H]1CO ZINC000085861385 FE Annotated Anodyne in-man endogenous O=C(c1ccc2c(c1)OCO2)[C@@H]1CO[C@@H](c2ccc3c(c2)OCO3)[C@H]1CO ZINC000085861388 FE Annotated Anodyne in-man endogenous COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@H]2O)cc1OC ZINC000085861842 FE Annotated Anodyne COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@H]2O)cc1OC ZINC000085861847 FE Annotated Anodyne CCC[C@@H]1C[C@@H](O)[C@H](Cl)[C@](O)(C(Br)Br)O1 ZINC000085887386 FE Annotated Reactive C[N+]12CCc3cc4c(cc3[C@@H]1[C@H](O)c1ccc3c(c1C2)OCO3)OCO4 ZINC000085899266 FE Annotated Bother CN1CCc2c3n(c4ccccc24)C(=O)[C@H]2[C@H](O)CC=C(C=O)[C@@H]2C[C@H]31 ZINC000085909552 FE Annotated Reactive COC(=O)[C@@H]1[C@H]2Cc3c4[nH]c5ccccc5c4cc[n+]3C[C@@H]2CC[C@H]1O ZINC000085922651 FE Annotated Anodyne COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@@H]21 ZINC000085922656 FE Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2O ZINC000085925808 FE Annotated Clean C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@H]21)[C@H](CO)C3 ZINC000085932405 FE Annotated Anodyne in-man C[C@@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C[C@H]4CO)[C@@H](O)[C@@H](O)[C@@H]12 ZINC000085932409 FE Annotated Anodyne in-man C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@H]21)[C@H](CO)C3 ZINC000085932412 FE Annotated Anodyne in-man C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1[C@H](O)[C@H](O)[C@]13C[C@H](CC[C@@H]12)[C@H](CO)C3 ZINC000085932417 FE Annotated Anodyne in-man C=C[C@@]1(C)C[C@](O)([C@H](O)C(C)(C)O)Oc2c1c(=O)oc1cccc(C)c21 ZINC000085944828 FE Annotated Mild COC(=O)c1cc2c(cc1OC)CCN1CCC3=C[C@H]4OCO[C@H]4C[C@@]321 ZINC000085948400 FE Annotated Anodyne COC1=C(OC)C(=O)[C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4[C@]2(CCN3C)C1 ZINC000085949183 FE Annotated Mild O=C1O/C(=C(\C(=O)O)c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)cc1 ZINC000085950155 FE Annotated Clean COC(=O)/C(=C1\OC(=O)C(c2ccc(O)cc2)=C1O)c1ccc(O)c(O)c1 ZINC000085950159 FE Annotated Clean COC(=O)[C@]12CCCC=C1CN1C(=O)Cc3cc(OC)c(OC)cc3[C@@H]12 ZINC000085951089 FE Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3c1OCO3)[C@@H]2O ZINC000085953901 FE Annotated Anodyne COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)C1=C2C(=O)OC1=O ZINC000085966077 FE Annotated Reactive CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 ZINC000085967576 FE Annotated Mild CC(=O)OC1=C(c2ccc(O)cc2)C(=O)C(O)=C(c2ccc(O)cc2)C1=O ZINC000085969935 FE Annotated Mild COc1cc2oc(C)cc(=O)c2c(O)c1COC(=O)/C=C(/C)CC(=O)O ZINC000085996456 FE Annotated Anodyne Cc1cc2cc3oc4cc(O)cc(C(=O)O)c4c(=O)c3c(O)c2c(=O)o1 ZINC000085996461 FE Annotated Bother COC(=O)[C@@H]1[C@H]2CC3=[N+](CCc4c3[nH]c3ccccc43)C[C@@H]2CC[C@H]1O ZINC000086006835 FE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000086010670 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000086010672 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000086010674 FE Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000086010676 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000086010728 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000086010732 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000086010733 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000086010735 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CCC(=O)[C@@H](C)[C@]12C ZINC000086010766 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000086010768 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC(=O)[C@@H](C)[C@]12C ZINC000086010770 FE Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@H]2CCC(=O)[C@@H](C)[C@@]21C ZINC000086010772 FE Annotated Anodyne in-man C=C1CC[C@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O ZINC000086023440 FE Annotated Mild in-man C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O ZINC000086023444 FE Annotated Mild in-man C=C1CC[C@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O ZINC000086023446 FE Annotated Mild in-man C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O ZINC000086023454 FE Annotated Mild in-man C/C=C(\C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 ZINC000086052011 FE Annotated Mild CC(=O)O[C@@H]1[C@H]2[C@H]3C[C@H]4C5=Nc6ccccc6[C@]51C[C@@H]2N4[C@@H](C)[C@@H]3CO ZINC000087528404 FE Annotated Anodyne in-vitro CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2[C@@H](O)[C@H]1O ZINC000087529257 FE Annotated Mild in-vitro CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2[C@@H](O)[C@@H]1O ZINC000087529260 FE Annotated Mild in-vitro CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2[C@H](O)[C@H]1O ZINC000087529265 FE Annotated Mild in-vitro CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2[C@H](O)[C@@H]1O ZINC000087529266 FE Annotated Mild in-vitro CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12 ZINC000087612817 FE Annotated Bother COc1cc(/C=C/C2=N/C(=C3/C=CC=CC3=O)ON2)ccc1OCC(=O)O ZINC000087722198 FE Annotated Mild COC(=O)[C@H](CCCCNC(C)=O)[C@H]1C(=O)C[C@@H]2C1=CC(=O)CC2(C)C ZINC000089456024 FE Annotated Mild COC(=O)[C@H](CCCCNC(C)=O)[C@@H]1C(=O)C[C@@H]2C1=CC(=O)CC2(C)C ZINC000089456026 FE Annotated Mild COC(=O)[C@H](CCCCNC(C)=O)[C@H]1C(=O)C[C@H]2C1=CC(=O)CC2(C)C ZINC000089456029 FE Annotated Mild CN1C[C@H](CS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21 ZINC000009224265 FE Annotated Clean in-vitro CCN1CCC[C@@H]1CNC1=NS(=O)(=O)C(c2ccc(F)cc2)=C1C ZINC000009268470 FE Annotated Anodyne CCN1CCC[C@H]1CNC1=NS(=O)(=O)C(c2ccc(F)cc2)=C1C ZINC000009268473 FE Annotated Anodyne COc1ccc(C2(C(=O)N3CC[C@@]4(O)CCNC[C@H]4C3)CCCC2)cc1 ZINC000091255881 FE Annotated Anodyne Cc1nccc(N[C@H]2CN(CCC(=O)NC3CCCC3)C[C@@H]2C2CC2)n1 ZINC000091519417 FE Annotated Anodyne CC(C)[C@@H]1CN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@H]1C(=O)O ZINC000091664888 FE Annotated Anodyne c1nc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)c2nc[nH]c2n1 ZINC000091754979 FE Annotated Anodyne Cc1cc(N[C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)ncn1 ZINC000091974039 FE Annotated Anodyne COc1ccnc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2C ZINC000009571616 FE Annotated Anodyne Cc1nc2c(C(=O)N(C)CCC#N)cnn2c(O)c1Cc1ccc(F)cc1 ZINC000009597711 FE Annotated Mild CCCn1c(CCC(=O)N2CCC3(CC2)OCCO3)nc2cccnc21 ZINC000009612183 FE Annotated Anodyne OC[C@@H]1CCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000009683823 FE Annotated Anodyne Cn1nc(C(=O)N2CCC3(CC2)OCCO3)c2c1-c1ccsc1CC2 ZINC000009687529 FE Annotated Anodyne Cc1nn2cnnc2c(C)c1CCC(=O)NCCCN(C)C1CCCCC1 ZINC000009689462 FE Annotated Anodyne Cc1cc(=O)nc(NN2[C@H](Cl)C(=O)[C@H]2c2c(O)ccc3ccccc23)[nH]1 ZINC000009704040 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)/C(C)=C\C ZINC000095099520 FE Annotated Mild in-vitro biogenic COC1=C(C(C)C)[C@@H](O)C2=C([C@@H]1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@]2(O)C=O ZINC000095099600 FE Annotated Mild in-vitro biogenic Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(N)=O)c1C ZINC000095350358 FE Annotated Reactive CCc1nc(C[C@@H]2CN(c3ncnc4nc(C)cc(C)c34)CCO2)no1 ZINC000095371854 FE Annotated Anodyne CCc1nc(C[C@H]2CN(c3ncnc4nc(C)cc(C)c34)CCO2)no1 ZINC000095371855 FE Annotated Anodyne O=C(/C=C/c1ccco1)NCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000095406596 FE Annotated Anodyne O=C(NCC1(C(=O)O)CCC1)c1nnn(-c2ccc(F)cc2)c1C1CC1 ZINC000095425499 FE Annotated Anodyne CN(C)C[C@H](O)Cn1cc(NCc2ccc(Br)cc2)cn1 ZINC000095455337 FE Annotated Anodyne CN(C)C[C@@H](O)Cn1cc(NCc2ccc(Br)cc2)cn1 ZINC000095455338 FE Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H](C/C=C3\C(=O)OC[C@@H]3O)[C@]3(CC[C@@H]12)CO3 ZINC000095486145 FE Annotated Anodyne in-vitro biogenic C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@H]4CC[C@@H]1[C@@]23OO4 ZINC000095486248 FE Annotated Reactive in-vitro biogenic CC(C)c1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000095543269 FE Annotated Mild C=CC[C@]1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O ZINC000095552123 FE Annotated Mild C=CC[C@@]1(c2cccc(C3(C(F)(F)F)N=N3)c2)C(=O)NC(=O)N(C)C1=O ZINC000095552124 FE Annotated Mild CC(=O)N1CCC(c2cc(C)c(C(=O)N=C(N)N)cc2C(F)(F)F)CC1 ZINC000095554868 FE Annotated Mild Cn1c(N)nc([C@H]2C[C@H]2c2ccc(-c3cccc(C(N)=O)c3)cc2)cc1=O ZINC000095557238 FE Annotated Anodyne O=C1COCCN1c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cc1 ZINC000095558256 FE Annotated Bother O=C1COCCN1c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cc1 ZINC000095558257 FE Annotated Bother CS(=O)(=O)N(CC(=O)Nc1cccnc1F)c1ccccc1Cl ZINC000095558470 FE Annotated Anodyne CN1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)C(=O)C1 ZINC000095558706 FE Annotated Bother CN1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)C(=O)C1 ZINC000095558707 FE Annotated Bother C/C(=N\NC(=O)CSc1nnnn1C)c1ccc(Cl)cc1Cl ZINC000095559514 FE Annotated Reactive COc1cccc2c1C(=O)C=C[C@]21O[C@@H]2c3c1ccc(O)c3[C@H](O)[C@@H]1O[C@@H]12 ZINC000095559690 FE Annotated Mild COc1cccc2c1C(=O)C=C[C@]21O[C@@H]2c3c1ccc(O)c3C(=O)[C@@H]1O[C@@H]12 ZINC000095560781 FE Annotated Mild COCCNC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCOC2 ZINC000095561527 FE Annotated Anodyne CS(=O)(=O)N(CC(=O)Nc1ccc(F)nc1)c1ccccc1Cl ZINC000095561528 FE Annotated Anodyne C/C(=N\NC(=O)CSc1nnnn1C)c1cc(Cl)ccc1Cl ZINC000095563086 FE Annotated Reactive CS(=O)(=O)N(CC(=O)Nc1ccc(F)cn1)c1ccccc1Cl ZINC000095563229 FE Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccn1 ZINC000095564424 FE Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1 ZINC000095564827 FE Annotated Anodyne CN1C(=O)N(c2cccnc2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl ZINC000095565695 FE Annotated Anodyne O=C(C(=O)N1CCN(c2ccncc2)CC1)c1cccc(Br)c1 ZINC000095566287 FE Annotated Anodyne COCC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccc(N2CCCCC2)cc1 ZINC000095566870 FE Annotated Clean O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1 ZINC000095567238 FE Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccn1 ZINC000095567371 FE Annotated Anodyne O=C(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CCC1 ZINC000095568077 FE Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccn1 ZINC000095568214 FE Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1 ZINC000095568446 FE Annotated Anodyne COc1cc2oc(=O)cc(CN3CCN(C(C)=O)CC3)c2cc1Cl ZINC000095569153 FE Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccn1 ZINC000095570707 FE Annotated Anodyne CCNC(=O)OCCc1cc(-c2cncc(OC[C@@H]3CCCN3)c2)on1 ZINC000095572904 FE Annotated Anodyne O=C(CCC1=CCN(CCc2ccc(Br)cc2)C1=O)NO ZINC000095573334 FE Annotated Bother COc1cc(/C=C2\CCCN3C[C@@H](CO)ON=C23)ccc1-n1cnc(C)c1 ZINC000095576244 FE Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](CO)ON=C23)ccc1-n1cnc(C)c1 ZINC000095576245 FE Annotated Anodyne N[P@](=O)(OCc1ccc([N+](=O)[O-])cn1)N(CCCl)CCCl ZINC000095576817 FE Annotated Reactive N[P@@](=O)(OCc1ccc([N+](=O)[O-])cn1)N(CCCl)CCCl ZINC000095576818 FE Annotated Reactive COc1ccccc1NC(=O)N(CCCO)Cc1ccc(C(=O)NO)cc1 ZINC000095576917 FE Annotated Anodyne O=C(CCC1=CCN(CCCc2ccc(Br)cc2)C1=O)NO ZINC000095576941 FE Annotated Bother O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)n1nnc2ccccc21 ZINC000095579032 FE Annotated Bother COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CO)ccc1-n1cnc(C)c1 ZINC000095579829 FE Annotated Anodyne O=C(O)c1ccc(-c2csc3c(O)cc(=[N+]4CCOCC4)oc23)cc1 ZINC000095581360 FE Annotated Anodyne CC(C)=CCC/C(C)=C/C(=O)NCCCN1CCN(CCCN)CC1 ZINC000095582044 FE Annotated Anodyne O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc([C@H](O)C5CC5)nc4)ccc3N12 ZINC000095582454 FE Annotated Anodyne O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc([C@@H](O)C5CC5)nc4)ccc3N12 ZINC000095582455 FE Annotated Anodyne Cc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000095583960 FE Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N=C(Nc1ccccc1)S2 ZINC000095584539 FE Annotated Anodyne CC(C)(O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095584724 FE Annotated Anodyne CN1CCN(c2ccc(/C=C/C3=[N+]([O-])[C@@H](OCCO)C(C)(C)C3)cc2)CC1 ZINC000095584743 FE Annotated Clean COC(=O)c1c2nc3c(C(=O)OC)ccc(C)c3oc-2c(C)c(=O)c1N ZINC000095585494 FE Annotated Bother CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3cccc(F)c3)ccc21 ZINC000095585611 FE Annotated Anodyne N#CC1=CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095585837 FE Annotated Reactive CN1CCN(CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000095586169 FE Annotated Clean CCOC1=Nn2c(CCC(=O)c3nc4ccccc4[nH]3)nnc2SC1 ZINC000095586337 FE Annotated Anodyne CC(C)[C@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1O ZINC000095586425 FE Annotated Anodyne CCCC/C=C\N(NC(C)=O)C(=O)[C@H](CO)/N=[N+](\[O-])CCCCCC ZINC000095586522 FE Annotated Reactive CCCC/C=C\N(NC(C)=O)C(=O)[C@@H](CO)/N=[N+](\[O-])CCCCCC ZINC000095586523 FE Annotated Reactive COc1c([N+](=O)[O-])c2c3c(c1[N+](=O)[O-])C(=O)c1ccccc1C3=NCC2 ZINC000095586670 FE Annotated Clean CC(C)[C@@]1(O)C=C2[C@H](O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@]2(O)CC1 ZINC000095586981 FE Annotated Anodyne CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C)nc1 ZINC000095587155 FE Annotated Mild C=C(C)[C@@H]1CC(=O)C[C@@H]2O[C@](C)(CC2=O)C[C@@H]2C=C(C(=O)O2)[C@H](OC)C1 ZINC000095587322 FE Annotated Mild CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCC3)nc12 ZINC000095587630 FE Annotated Anodyne CCc1[nH]c2nc(Oc3cncnc3)nc(N3C[C@H]4C(N)[C@H]4C3)c2c1Cl ZINC000095587674 FE Annotated Anodyne CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C)cn1 ZINC000095588314 FE Annotated Mild CNC(=O)c1ccc([C@@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@@H]2C)cn1 ZINC000095589799 FE Annotated Mild O=c1cc(N2CCNCC2)nc2n(CCc3ccccc3)c3ccccc3n12 ZINC000095590094 FE Annotated Anodyne CCc1[nH]c2nc(Oc3cncnc3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095590229 FE Annotated Anodyne CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3O)nc12 ZINC000095590689 FE Annotated Anodyne CCN1CCN(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000095591468 FE Annotated Clean CN1CCN(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000095591496 FE Annotated Clean CC(C)[C@@]1(O)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O ZINC000095591938 FE Annotated Anodyne CC(C)[C@]1(O)CC[C@H]2C(=C[C@H](O)[C@H]3[C@](C)(C(=O)O)CCC[C@]23C)[C@H]1O ZINC000095592465 FE Annotated Anodyne O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nnc(S)o1 ZINC000095593864 FE Annotated Anodyne O=C(N/N=C/c1cc(Br)ccc1O)C1=NN[C@H]2CCCC[C@H]12 ZINC000095596575 FE Annotated Reactive O=C(N/N=C/c1cc(Br)ccc1O)C1=NN[C@@H]2CCCC[C@H]12 ZINC000095596576 FE Annotated Reactive O=C(N/N=C/c1cc(Br)ccc1O)C1=NN[C@H]2CCCC[C@@H]12 ZINC000095596577 FE Annotated Reactive O=C(N/N=C/c1cc(Br)ccc1O)C1=NN[C@@H]2CCCC[C@@H]12 ZINC000095596578 FE Annotated Reactive CC(C)[C@H](CO)Nc1cncc(Nc2nc3cncnc3n2C(C)C)n1 ZINC000095597388 FE Annotated Anodyne COc1ccc([C@H]2OC[C@]3(O)[C@@H](c4ccc(OC)c(O)c4)OC[C@H]23)cc1O ZINC000095598400 FE Annotated Anodyne NC(=O)[C@H]1CCCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)C1 ZINC000095598883 FE Annotated Anodyne NC(=O)[C@@H]1CCCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)C1 ZINC000095598884 FE Annotated Anodyne CCOC(=O)C[C@@H]1OC[C@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095602318 FE Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@H](N(C)CCc1ccccc1)C(=O)N2 ZINC000095602367 FE Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@@H](N(C)CCc1ccccc1)C(=O)N2 ZINC000095602368 FE Annotated Anodyne Cc1noc(-c2cnn3c2n[n+]([O-])c2ccc(OCc4ccccc4)cc23)n1 ZINC000095603544 FE Annotated Anodyne CC[C@@H](C(=O)NO)N1Cc2sc(-c3ccccc3)cc2S1(=O)=O ZINC000095604406 FE Annotated Bother CC[C@H](C(=O)NO)N1Cc2sc(-c3ccccc3)cc2S1(=O)=O ZINC000095604407 FE Annotated Bother CC(C)C[C@@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1 ZINC000095605650 FE Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1 ZINC000095605767 FE Annotated Anodyne NC(=O)[C@H](CO)N(Cc1ccccc1)Cc1cc(-c2ccccc2)on1 ZINC000095613806 FE Annotated Anodyne C[C@@H]1[C@H](C(O)O)O[C@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)[C@H](C)[C@@H]1C ZINC000095626105 FE Annotated Anodyne in-man C[C@H]1[C@H](C)[C@@H](C)[C@@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@H]1C(O)O ZINC000095626106 FE Annotated Anodyne in-man C[C@H]1[C@@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@@H](C(O)O)[C@H](C)[C@H]1C ZINC000095626107 FE Annotated Anodyne in-man C[C@@H]1[C@@H](C)[C@@H](Oc2ccc(C[C@@H]3CCC(=O)O3)cc2)O[C@@H](C(O)O)[C@@H]1C ZINC000095626108 FE Annotated Anodyne 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@@](O)(CO)C3 ZINC000095635855 FE 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@@](O)(CO)C3 ZINC000095635856 FE 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@@](O)(CO)C3 ZINC000095635857 FE 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@@](O)(CO)C3 ZINC000095635858 FE Annotated Anodyne in-vitro CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C)[C@@H](C)CN(C)C2=O ZINC000095661020 FE Annotated Anodyne O=C1[C@@H](Cc2ccc(F)cc2)CCn2cc(nn2)COC[C@H]2CCCN12 ZINC000095661046 FE Annotated Anodyne CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1O ZINC000095661408 FE Annotated Anodyne in-vitro CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C)[C@@H](C)CN(C)C2=O ZINC000095661663 FE Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C)[C@H](C)CN(C)C2=O ZINC000095661711 FE Annotated Anodyne CC(=O)N(CC(C)C)C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2cncnc2)cc1 ZINC000095661841 FE Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095661924 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(C)=O)N(C(=O)NC(C)C)[C@H]2CO)cc1 ZINC000095662405 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)CN(C)C)CCCCN3[C@H]2CO)cc1 ZINC000095662799 FE Annotated Anodyne CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C)[C@H](C)CN(C)C2=O ZINC000095663496 FE Annotated Anodyne O=C1[C@H](Cc2ccc(F)cc2)CCn2cc(nn2)COC[C@H]2CCCN12 ZINC000095665130 FE Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095665338 FE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCC1)CC31CN(C)C1 ZINC000095666528 FE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCC1)CC31CN(C)C1 ZINC000095666529 FE Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095666911 FE Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)C1CCCC1 ZINC000095667295 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)NCCC)cc1 ZINC000095667329 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@H]2CNC(C)=O)cc1 ZINC000095667354 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)NCCC)cc1 ZINC000095667383 FE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccc(C)cc2)[C@@H]1C#N ZINC000095667394 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccc(C)cc2)[C@@H]1CO ZINC000095667398 FE Annotated Mild O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095667655 FE Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095667760 FE Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095667762 FE Annotated Anodyne COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(F)c2)[C@H]1CO ZINC000095667817 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2cccc(F)c2)[C@@H]1C#N ZINC000095667822 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(F)c2)[C@H]1CO ZINC000095667825 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(F)c2)[C@@H]1CO ZINC000095667827 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H]1CO ZINC000095667831 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1CO ZINC000095667908 FE Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1C#N ZINC000095667913 FE Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1CO ZINC000095667916 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccc(F)cc2)[C@H]1CO ZINC000095667919 FE Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1C#N ZINC000095667923 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@H](c2ccccc2-c2cccc(F)c2)[C@@H]1CO ZINC000095667928 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H]1CO ZINC000095667930 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H]1C#N ZINC000095667939 FE Annotated Mild CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)C1CCCC1 ZINC000095668033 FE Annotated Anodyne CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H]1CO ZINC000095668092 FE Annotated Mild CCCNC(=O)N(Cc1cccnc1)C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1 ZINC000095668235 FE Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N[C@@H]3CNC(=O)C3CC3)cc2)c1 ZINC000095668314 FE Annotated Mild CC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095668440 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@@H]2CNC(C)=O)cc1 ZINC000095668622 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NCCC)[C@H]2CN(C)C(C)=O)cc1 ZINC000095668719 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675517 FE Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675518 FE Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675519 FE Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675520 FE Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675521 FE Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675522 FE Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675523 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675524 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675525 FE Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675526 FE Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675527 FE Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675528 FE Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675529 FE Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675530 FE Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675531 FE Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675532 FE Annotated Anodyne CNC[C@@H]1Oc2ncc(C3=CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701455 FE Annotated Anodyne CNC[C@H]1Oc2ncc(C3=CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701456 FE Annotated Anodyne CNC[C@H]1Oc2ncc(C3=CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701457 FE Annotated Anodyne CNC[C@@H]1Oc2ncc(C3=CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701458 FE Annotated Anodyne CS(=O)(=O)Nc1c(I)cccc1OC1CC1 ZINC000095731707 FE Annotated Anodyne CS(=O)(=O)Nc1ccc(OC2CC2)c(I)c1 ZINC000095731789 FE Annotated Anodyne CS(=O)(=O)Nc1ccc(OC2CC2)cc1I ZINC000095731819 FE Annotated Anodyne CS(=O)(=O)Nc1cccc(I)c1OC1CC1 ZINC000095731841 FE Annotated Anodyne CS(=O)(=O)Nc1cccc(OC2CC2)c1I ZINC000095731852 FE Annotated Anodyne CNC[C@@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095734044 FE Annotated Anodyne CNC[C@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095734261 FE Annotated Anodyne CS(=O)(=O)Nc1ccc(I)cc1OC1CC1 ZINC000095734506 FE Annotated Anodyne CS(=O)(=O)Nc1cc(I)ccc1OC1CC1 ZINC000095734575 FE Annotated Anodyne CNC[C@@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095734614 FE Annotated Anodyne COc1ccc(C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2)c(OC)c1OC ZINC000095752670 FE Annotated Anodyne COc1ccc(C[C@H]2CN(C(=O)OC(C)(C)C)CCN2)c(OC)c1OC ZINC000095752672 FE Annotated Anodyne COc1ccc(C[C@H]2CNCCN2C(=O)OC(C)(C)C)c(OC)c1OC ZINC000095752674 FE Annotated Anodyne COc1ccc(C[C@@H]2CNCCN2C(=O)OC(C)(C)C)c(OC)c1OC ZINC000095752676 FE Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 ZINC000095752678 FE Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@H]1CN(C(=O)OC(C)(C)C)CCN1 ZINC000095752680 FE Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@H]1CNCCN1C(=O)OC(C)(C)C ZINC000095752682 FE Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@H]1CNCCN1C(=O)OC(C)(C)C ZINC000095752684 FE Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2ccc(C#C)cc2)[C@@H](CCCO)[C@H](OCC)O1 ZINC000095784291 FE Annotated Mild CC(=O)n1cc([C@@H]2C=C(C(N)=O)O[C@H](OCCCCO)C2)c2ccccc21 ZINC000095784307 FE Annotated Anodyne C=C[C@H]1[C@@H]2C(C)=C[C@@H]([C@H]3C(=O)N(C)C(=O)[C@@H]32)N1Cc1ccc(OC)cc1 ZINC000095784894 FE Annotated Mild C=C[C@H]1[C@@H]2C(C)=C[C@@H]([C@@H]3C(=O)N(C)C(=O)[C@H]23)N1Cc1ccc(OC)cc1 ZINC000095784896 FE Annotated Mild COc1ccccc1CN1[C@H](CO)[C@H](c2ccccc2)C12CN(C(C)=O)C2 ZINC000095793975 FE Annotated Anodyne COc1ccccc1CN1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(C)=O)C2 ZINC000095793977 FE Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(C)=O)C2 ZINC000095793981 FE Annotated Anodyne COc1ccccc1CN1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(C)=O)C2 ZINC000095793985 FE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794004 FE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095794007 FE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794009 FE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095794073 FE Annotated Anodyne CCCC(=O)N1CC2(CN(C)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095794105 FE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095794379 FE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095794381 FE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095794384 FE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095794495 FE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095794498 FE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095794500 FE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 ZINC000095794538 FE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 ZINC000095794541 FE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095794662 FE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095794664 FE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095794666 FE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794760 FE Annotated Anodyne Cc1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(S(C)(=O)=O)[C@@H]2CO)cc1 ZINC000095795522 FE Annotated Mild CCCC(=O)N1CCC2(CC1)CN[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796357 FE Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796358 FE Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 ZINC000095796554 FE Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 ZINC000095796602 FE Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1nccs1 ZINC000095796603 FE Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095796608 FE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095796869 FE Annotated Anodyne Cc1ccc(-c2ccccc2[C@@H]2[C@H](C#N)N(S(C)(=O)=O)[C@H]2CO)cc1 ZINC000095797340 FE Annotated Mild O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095797542 FE Annotated Anodyne O=C(C1CC1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095797593 FE Annotated Anodyne CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@H]1CO ZINC000095797787 FE Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)CC4CC4)C[C@@H]23)cc1 ZINC000095797814 FE Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N ZINC000095798440 FE Annotated Mild O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095798524 FE Annotated Anodyne O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc[n+]([O-])cc1 ZINC000095808337 FE Annotated Reactive Cc1nnc(Sc2ccc(/C=N/NC(=O)c3ccccc3O)o2)n1C ZINC000095808641 FE Annotated Reactive CC1(C)COC(CCC/C=N/NC(=O)c2ccc(C(=O)NO)cc2)OC1 ZINC000095808734 FE Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1ccc(N(C)CCO)cc1 ZINC000095808908 FE Annotated Reactive COc1cc(/C=N/NC(=O)CCCCCC(=O)O)c([N+](=O)[O-])cc1OC ZINC000095809011 FE Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1c(OC)cc(O)cc1OC ZINC000095809075 FE Annotated Reactive CC1(C)COC(CCC/C=N/NC(=O)c2cccc(C(=O)NO)c2)OC1 ZINC000095809314 FE Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000095809411 FE Annotated Reactive CC1(C)COC(CCC/C=N/NC(=O)CCCCCC(=O)NO)OC1 ZINC000095809768 FE Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000095809807 FE Annotated Reactive C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32CC[C@@H]1[C@]4(CO)C(=O)OC ZINC000095817137 FE Annotated Bother CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095864443 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@H]1CO ZINC000095864450 FE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095864527 FE Annotated Mild CCCC(=O)N1CC2(CN(C)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095865119 FE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095865666 FE Annotated Anodyne O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095866583 FE Annotated Anodyne CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095866611 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095866642 FE Annotated Mild O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095866830 FE Annotated Anodyne CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095866835 FE Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N ZINC000095866978 FE Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(CC2CC2)C1 ZINC000095867630 FE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(CC2CC2)C1 ZINC000095867631 FE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095869210 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CC3)C23CN(C(=O)COC)C3)cc1 ZINC000095869256 FE Annotated Anodyne Cc1ccc(-c2ccccc2[C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2C#N)cc1 ZINC000095869311 FE Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)C23CN(C(=O)COC)C3)cc1 ZINC000095869384 FE Annotated Anodyne O=C(C1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095869405 FE Annotated Anodyne CCN1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095869547 FE Annotated Anodyne CCN1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095869548 FE Annotated Anodyne CCN1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095869549 FE Annotated Anodyne CCN1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095869550 FE Annotated Anodyne CCN1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095869551 FE Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095871368 FE Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095871369 FE Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 ZINC000095871370 FE Annotated Anodyne CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095871453 FE Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095871454 FE Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095871455 FE Annotated Anodyne CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N ZINC000095871655 FE Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)Cc2ccccc2)cc1 ZINC000095871658 FE Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095871660 FE Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095871671 FE Annotated Clean CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@H]1CO ZINC000095871707 FE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095871709 FE Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N ZINC000095871711 FE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@H]1CO ZINC000095871713 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095871742 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095871744 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@H]1CO ZINC000095871764 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095871765 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N ZINC000095871767 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@H](c2ccccc2-c2ccccc2F)[C@@H]1CO ZINC000095871769 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccccc2F)[C@@H]1C#N ZINC000095871771 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2F)[C@H]1CO ZINC000095871773 FE Annotated Mild CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095871832 FE Annotated Clean C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(C)=O)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095871843 FE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095871864 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccc(C)cc2)[C@@H]1C#N ZINC000095871866 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccc(C)cc2)[C@H]1CO ZINC000095871868 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccc(C)cc2)[C@@H]1CO ZINC000095871870 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccc(C)cc2)[C@@H]1CO ZINC000095871872 FE Annotated Mild CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095871886 FE Annotated Clean COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@H]1CO ZINC000095871944 FE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)C2CC2)cc1 ZINC000095871956 FE Annotated Mild CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095871959 FE Annotated Clean COCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO ZINC000095871961 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO ZINC000095871963 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO ZINC000095871964 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2cccc(C)c2)[C@@H]1C#N ZINC000095871966 FE Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)C2CC2)cc1 ZINC000095872060 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1 ZINC000095874045 FE Annotated Anodyne CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875159 FE Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875160 FE Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875161 FE Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875162 FE Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875163 FE Annotated Anodyne CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875164 FE Annotated Anodyne CC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875165 FE Annotated Anodyne CN1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095875608 FE Annotated Mild CN1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875609 FE Annotated Mild CN1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095875610 FE Annotated Mild CN1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875611 FE Annotated Mild CN1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875612 FE Annotated Mild CN1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095875613 FE Annotated Mild CN1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095875614 FE Annotated Mild CN1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095875615 FE Annotated Mild CO[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@@H]6[C@H]53 ZINC000095876291 FE Annotated Anodyne C[C@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095876984 FE Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095876985 FE Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 ZINC000095876986 FE Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 ZINC000095876987 FE Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095876988 FE Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095876989 FE Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095876990 FE Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 ZINC000095876991 FE Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 ZINC000095876992 FE Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095876993 FE Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095876994 FE Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095876995 FE Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 ZINC000095876996 FE Annotated Mild C/C=C/c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1cnccn1)[C@H](CO)N2 ZINC000095878833 FE Annotated Anodyne COc1ccc2c(c1)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@@H]43 ZINC000095884473 FE Annotated Anodyne COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000095884474 FE Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(C(=O)C3CCC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893509 FE Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCC3)C[C@@H]21 ZINC000095893510 FE Annotated Anodyne CC(=O)N1[C@@H]2CN(C(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893746 FE Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095893747 FE Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095893748 FE Annotated Anodyne CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccc(F)cc3)C[C@H]21 ZINC000095893749 FE Annotated Anodyne CCC(=O)N1[C@@H]2CN(C(=O)CC(F)(F)F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893959 FE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)CC(F)(F)F)C[C@H]21 ZINC000095893961 FE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)CC(F)(F)F)C[C@@H]21 ZINC000095894049 FE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)CC(F)(F)F)C[C@@H]21 ZINC000095894115 FE Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894329 FE Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894330 FE Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894331 FE Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894332 FE Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095894471 FE Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095894472 FE Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095894473 FE Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095894474 FE Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095894514 FE Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095894515 FE Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095894516 FE Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095894517 FE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095894596 FE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095894597 FE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095894598 FE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095894599 FE Annotated Anodyne O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095894625 FE Annotated Anodyne O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095894626 FE Annotated Anodyne O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095894627 FE Annotated Anodyne O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095894628 FE Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 ZINC000095894665 FE Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 ZINC000095894666 FE Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 ZINC000095894667 FE Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 ZINC000095894668 FE Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCC3)C[C@@H]21 ZINC000095894676 FE Annotated Anodyne CCCNC(=O)N1[C@@H]2CN(C(=O)C3CCC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894677 FE Annotated Anodyne CCc1csc(N2[C@H](CO)[C@H](c3ccccc3)[C@@H]2CNCCOC)n1 ZINC000095894835 FE Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CCC1 ZINC000095894838 FE Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CCC1 ZINC000095894839 FE Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CCC1 ZINC000095894840 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)CC3CC3)N(C(C)=O)[C@H]2CO)cc1 ZINC000095894943 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)CC3CC3)N(C(C)=O)[C@H]2CO)cc1 ZINC000095894944 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(C)=O)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095894945 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(C)=O)N(C(=O)NC(C)C)[C@H]2CO)cc1 ZINC000095894948 FE Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(C)=O ZINC000095895100 FE Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(C)=O ZINC000095895101 FE Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895102 FE Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895103 FE Annotated Anodyne CC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895104 FE Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895105 FE Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(C)=O ZINC000095895106 FE Annotated Anodyne CC(=O)NC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(C)=O ZINC000095895107 FE Annotated Anodyne COCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(C)=O ZINC000095895128 FE Annotated Anodyne CCC(=O)N(CC1CCC1)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O ZINC000095895129 FE Annotated Anodyne CCC(=O)N(CC1CCC1)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O ZINC000095895130 FE Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC ZINC000095895131 FE Annotated Anodyne CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC ZINC000095895132 FE Annotated Anodyne CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC ZINC000095895133 FE Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC ZINC000095895134 FE Annotated Anodyne CCN(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccccc2)cc1)C(=O)COC ZINC000095895135 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)NC(C)C)[C@H]2CN(C)C(C)=O)cc1 ZINC000095895150 FE Annotated Anodyne CCC(=O)N(CC)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095895181 FE Annotated Anodyne CCC(=O)N(CC)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095895182 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)C3CC3)N(C(=O)CC)[C@H]2CO)cc1 ZINC000095895229 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095895230 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)C3CC3)N(C(=O)CC)[C@H]2CO)cc1 ZINC000095895231 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)C2CC2)cc1 ZINC000095895232 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095895233 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)C2CC2)cc1 ZINC000095895234 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095895235 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095895236 FE Annotated Anodyne CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O ZINC000095895348 FE Annotated Anodyne CCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895349 FE Annotated Anodyne CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O ZINC000095895350 FE Annotated Anodyne CCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O ZINC000095895351 FE Annotated Anodyne CCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O ZINC000095895352 FE Annotated Anodyne CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895353 FE Annotated Anodyne CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895354 FE Annotated Anodyne CCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895355 FE Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(C)C(=O)c1ccccc1F ZINC000095895402 FE Annotated Anodyne CC(=O)N1[C@H](CN(C)C(=O)c2ccccc2F)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895403 FE Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1F ZINC000095895404 FE Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1F ZINC000095895405 FE Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O ZINC000095895439 FE Annotated Anodyne CC(=O)NC[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O ZINC000095895440 FE Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O ZINC000095895441 FE Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O ZINC000095895442 FE Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(C)=O ZINC000095895443 FE Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(C)=O ZINC000095895444 FE Annotated Anodyne CNC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Nc1cccc(OC)c1 ZINC000095895479 FE Annotated Anodyne CNC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Nc1cccc(OC)c1 ZINC000095895480 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(C)=O)cc1 ZINC000095895491 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(C)=O)cc1 ZINC000095895492 FE Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)C(C)=O ZINC000095895497 FE Annotated Anodyne O=C(NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C1CCCC1 ZINC000095895597 FE Annotated Anodyne CN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(=O)CC1CC1 ZINC000095895607 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)[C@H]2CNC(=O)CC2CC2)cc1 ZINC000095895630 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)CC2CC2)cc1 ZINC000095895631 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)CC2CC2)cc1 ZINC000095895632 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CNC(=O)CC2CC2)cc1 ZINC000095895633 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)[C@H]2CNC(=O)CC2CC2)cc1 ZINC000095895634 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CNC(=O)CC2CC2)cc1 ZINC000095895635 FE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(C)=O)N(C(=O)NCCC)[C@H]2CO)cc1 ZINC000095895640 FE Annotated Anodyne COCCNC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1c1nc(C)c(C)s1 ZINC000095895655 FE Annotated Anodyne COCCNC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1c1nc(C)c(C)s1 ZINC000095895656 FE Annotated Anodyne COCCNC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1c1nc(C)c(C)s1 ZINC000095895657 FE Annotated Anodyne COCCNC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1c1nc(C)c(C)s1 ZINC000095895658 FE Annotated Anodyne CCCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC(C)C ZINC000095895689 FE Annotated Anodyne CCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)NC(C)C ZINC000095895690 FE Annotated Anodyne CCCN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC(C)C ZINC000095895691 FE Annotated Anodyne CCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)=O ZINC000095895731 FE Annotated Anodyne CCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)=O ZINC000095895732 FE Annotated Anodyne CCC(=O)N(C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1 ZINC000095895781 FE Annotated Anodyne CCc1csc(N2[C@H](CNCCOC)[C@H](c3ccccc3)[C@@H]2CO)n1 ZINC000095895873 FE Annotated Anodyne CC(C)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000095895898 FE Annotated Anodyne CC(C)N(C[C@H]1N[C@H](CO)[C@H]1c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000095895899 FE Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC1CCCC1 ZINC000095895900 FE Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)NC1CCCC1 ZINC000095895901 FE Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)NC1CCCC1 ZINC000095895902 FE Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)NC1CCCC1 ZINC000095895903 FE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CNS(=O)(=O)c2ccccc2)cc1 ZINC000095895953 FE Annotated Anodyne N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095896138 FE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 ZINC000095897486 FE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 ZINC000095897487 FE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 ZINC000095897488 FE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 ZINC000095897489 FE Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1C#N ZINC000095897646 FE Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO ZINC000095897647 FE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]1CO ZINC000095897648 FE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO ZINC000095897649 FE Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO ZINC000095897650 FE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO ZINC000095897651 FE Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]1CO ZINC000095897652 FE Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1C#N ZINC000095897653 FE Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1C#N ZINC000095897866 FE Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897867 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897868 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H]1CO ZINC000095897869 FE Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897870 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CO ZINC000095897871 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H]1CO ZINC000095897872 FE Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO ZINC000095897903 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@H]1CO ZINC000095897904 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO ZINC000095897905 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO ZINC000095897906 FE Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CO ZINC000095897907 FE Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1C#N ZINC000095897908 FE Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1C#N ZINC000095897909 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H]1CO ZINC000095897910 FE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095897956 FE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 ZINC000095897962 FE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 ZINC000095897963 FE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 ZINC000095897964 FE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 ZINC000095897965 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1C#N ZINC000095898002 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO ZINC000095898003 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO ZINC000095898004 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]1CO ZINC000095898005 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO ZINC000095898006 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO ZINC000095898007 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1C#N ZINC000095898008 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H]1CO ZINC000095898115 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H]1CO ZINC000095898116 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H]1C#N ZINC000095898118 FE Annotated Mild COCC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H]1CO ZINC000095898119 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@H]1CO ZINC000095898120 FE Annotated Mild COCC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@H]1CO ZINC000095898121 FE Annotated Mild COCC(=O)N1[C@H](CO)[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H]1C#N ZINC000095898122 FE Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]1CO ZINC000095898174 FE Annotated Mild CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO ZINC000095898194 FE Annotated Mild CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1C#N ZINC000095898195 FE Annotated Mild CCS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1CO ZINC000095898196 FE Annotated Mild CCS(=O)(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]1C#N ZINC000095898197 FE Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)Cc3ccccc3)[C@@H]2CO)cc1 ZINC000095898230 FE Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)Cc3ccccc3)[C@H]2CO)cc1 ZINC000095898231 FE Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)Cc3ccccc3)[C@@H]2CO)cc1 ZINC000095898232 FE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@H](CO)N1C(=O)Cc1ccccn1 ZINC000095898261 FE Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@H](CO)N1C(=O)Cc1ccccn1 ZINC000095898262 FE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095898263 FE Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095898264 FE Annotated Mild COc1ccc(C[C@H]2CCc3cnnn3COC[C@@H](C(C)C)NC2=O)cc1 ZINC000095898356 FE Annotated Anodyne COc1ccc(C[C@@H]2CCc3cnnn3COC[C@H](C(C)C)NC2=O)cc1 ZINC000095898357 FE Annotated Anodyne COc1ccc(C[C@H]2CCc3cnnn3COC[C@H](C(C)C)NC2=O)cc1 ZINC000095898358 FE Annotated Anodyne COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@H](C(C)C)NC2=O)cc1 ZINC000095898401 FE Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@H](C(C)C)NC2=O)cc1 ZINC000095898403 FE Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@@H](C(C)C)NC2=O)cc1 ZINC000095898405 FE Annotated Anodyne COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@@H](C(C)C)NC2=O)cc1 ZINC000095898406 FE Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095899383 FE Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095899384 FE Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@H]1O2 ZINC000095899385 FE Annotated Clean CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095903328 FE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095903330 FE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095903332 FE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095903334 FE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095903336 FE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095903338 FE Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095903341 FE Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095903343 FE Annotated Anodyne C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@H]3N(CC[C@]34Nc3ccccc3C4=O)C[C@@H]12 ZINC000095909400 FE Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C=C3OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000095909470 FE Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C ZINC000095909475 FE Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000095909726 FE Annotated Anodyne in-vitro biogenic C[C@]12[C@@H]3[C@H](c4ccoc4)OC(=O)[C@@]31[C@@H](O)C[C@@]13COC(=O)[C@@H]1C=CC[C@@H]32 ZINC000095909829 FE Annotated Anodyne in-vitro biogenic CCCC(=O)O[C@@H]1C[C@@]23OC(=O)C[C@@]2(C[C@@]2(O)OC[C@]3(C)[C@@H]2C)[C@@H]1C ZINC000095909920 FE Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CC[C@H](O)C(C)(C)[C@H]1C[C@H]3O[C@@H]2OC ZINC000095910151 FE Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3=O ZINC000095910673 FE 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(CO[C@@H](O)C1)O2 ZINC000095911247 FE Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@H]1NCC2 ZINC000095911263 FE Annotated Anodyne in-vitro biogenic COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@](O)(C2)N1C)OCO4 ZINC000095912158 FE Annotated Anodyne in-vitro biogenic CO[C@@H]1C[C@H]2[C@H](CC(=O)c3ccc(O)cc3)C[C@](C)(O)[C@H]2[C@@H](OC)O1 ZINC000095912365 FE Annotated Anodyne in-vitro biogenic CO[C@H]1O[C@@H](OC)C[C@H]2[C@H](CC(=O)c3ccc(O)cc3)C[C@](C)(O)[C@@H]12 ZINC000095912366 FE Annotated Anodyne in-vitro biogenic C[C@H]1OC=C(C(=O)O)[C@H]2C[C@H]3N(CC[C@]34Nc3ccccc3C4=O)C[C@H]21 ZINC000095912471 FE Annotated Anodyne in-vitro biogenic O=C1CC=C2[C@H]3C[C@H]4[C@@]5(CC[N+]4([O-])C/C3=C\CO)c3ccccc3N1[C@@H]25 ZINC000095912493 FE Annotated Bother in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O[C@H]2OC ZINC000095912609 FE Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O[C@@H]2OC ZINC000095912610 FE Annotated Mild in-vitro biogenic C[C@@H]1C(=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000095912784 FE Annotated Anodyne in-vitro biogenic C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](OC)[C@@]4([C@@H]1N(CC)C5)[C@@H]3[C@H]2O ZINC000095912792 FE Annotated Mild in-vitro biogenic CC(=O)N1c2ccccc2[C@]23CCN(C)[C@H]2C[C@@H]2[C@@H](CO[C@H](C)[C@H]2CO)[C@H]13 ZINC000095913423 FE Annotated Anodyne in-vitro biogenic C[C@H]1C[C@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O ZINC000095913743 FE Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@H](C[C@@](C)(O)[C@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000095913771 FE Annotated Anodyne in-vitro biogenic CC(C)=CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C=C2C(=O)CC[C@H](C)[C@]21C ZINC000095914145 FE Annotated Mild C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@H]3C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@@H](c1ccoc1)O[C@H]3O2 ZINC000095914493 FE Annotated Anodyne in-vitro biogenic C[C@H]1[C@H]2C[C@@]34COC(=O)[C@@H]3C[C@H]3O[C@H]3[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2 ZINC000095914494 FE Annotated Anodyne in-vitro biogenic C[C@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@@]34Nc3ccccc3C4=O)C[C@H]21 ZINC000095914785 FE Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@]34[C@H]1C(=O)C[C@@]15C[C@@](C)(O)[C@@H](C[C@@H]1[C@H]3N(CCO)C2)C[C@H]54 ZINC000095918719 FE Annotated Anodyne in-vitro biogenic C[C@]1(O)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 ZINC000095918721 FE Annotated Anodyne in-vitro biogenic C[C@@]1(C(=O)O)[C@@H](O)CC[C@@]2(C)[C@@H]1CC=C1C[C@@](C)([C@@H](O)CO)CC[C@@H]12 ZINC000095919160 FE Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000095919164 FE Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)c(O)c1c3c(ncn32)CC[C@H]1NCC[N+](C)(C)O ZINC000095920598 FE Annotated Bother COc1ccc2c(c1)c(O)c1c3c(ncn32)CC[C@@H]1NCC[N+](C)(C)O ZINC000095920599 FE Annotated Bother N#Cc1cccnc1N1CC[C@H]2OC(N)=N[C@@]2(c2ccc(F)cc2F)C1 ZINC000095920685 FE Annotated Mild N#Cc1cccnc1N1CC[C@]2(c3ccc(F)cc3F)N=C(N)O[C@@H]2C1 ZINC000095920686 FE Annotated Mild CC(C)C[C@H](CNC(=O)CCCN)Cc1ccc2c(c1C(=O)O)OCO2 ZINC000095921001 FE Annotated Anodyne CCCCc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)nn2)cc1 ZINC000095971195 FE Annotated Reactive C=C1C(=O)C(C)=C2C(=O)N3Cc4[nH]c5ccccc5c4C[C@@]3(C(=O)OC)[C@H]12 ZINC000096018517 FE Annotated Anodyne C=C1C(=O)C(C)=C2C(=O)N3Cc4[nH]c5ccccc5c4C[C@@]3(C(=O)OC)[C@@H]12 ZINC000096018518 FE Annotated Anodyne C=C1C(=O)C(C)=C2C(=O)N3Cc4[nH]c5ccccc5c4C[C@]3(C(=O)OC)[C@H]12 ZINC000096018519 FE Annotated Anodyne C=C1C(=O)C(C)=C2C(=O)N3Cc4[nH]c5ccccc5c4C[C@]3(C(=O)OC)[C@@H]12 ZINC000096018520 FE Annotated Anodyne CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3ccno3)C2)O1 ZINC000096018998 FE Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccno3)C2)O1 ZINC000096019013 FE Annotated Anodyne COc1ccc(CN2CN3CCc4ccccc4[C@@H]3CS2(=O)=O)cc1 ZINC000096019124 FE Annotated Anodyne COC[C@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CCCO2 ZINC000096019141 FE Annotated Anodyne COC[C@@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CCCO2 ZINC000096019158 FE Annotated Anodyne COC[C@H]1CCCN1c1ccc2c(c1)OCCCN(C1CC1)S2(=O)=O ZINC000096019198 FE Annotated Anodyne COC[C@@H]1CCCN1c1ccc2c(c1)OCCCN(C1CC1)S2(=O)=O ZINC000096019199 FE Annotated Anodyne CN1Cc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019368 FE Annotated Anodyne C#CCN(C)S(=O)(=O)c1ccc(N2CCCC2)cc1Br ZINC000096019371 FE Annotated Anodyne Cc1ccc(Cn2nnc3c2-c2ccccc2S(=O)(=O)N(C)C3)cc1 ZINC000096019393 FE Annotated Anodyne COc1ccc(CN2CN3Cc4cc(F)ccc4[C@@H]3CS2(=O)=O)cc1 ZINC000096020145 FE Annotated Anodyne COc1ccc2c(c1)CN1CN(CCc3ccccc3)S(=O)(=O)C[C@H]21 ZINC000096020152 FE Annotated Anodyne COc1ccc2c(c1)CN1CN(CCc3ccccc3)S(=O)(=O)C[C@@H]21 ZINC000096020153 FE Annotated Anodyne COc1ccc2c(c1)CN1CN(Cc3ccc(F)cc3)S(=O)(=O)C[C@H]21 ZINC000096020154 FE Annotated Anodyne COc1ccc2c(c1)CN1CN(Cc3ccc(F)cc3)S(=O)(=O)C[C@@H]21 ZINC000096020155 FE Annotated Anodyne COc1ccc(CN2CN3Cc4cc(OC)ccc4[C@@H]3CS2(=O)=O)cc1 ZINC000096020156 FE Annotated Anodyne C=CCN1[C@H](C)COc2cccc(N3CCSCC3)c2S1(=O)=O ZINC000096020503 FE Annotated Anodyne C=CCN1[C@H](C)COc2cc(N3CCSCC3)ccc2S1(=O)=O ZINC000096020504 FE Annotated Anodyne C=CCN1[C@@H](C)COc2cccc(N3CCSCC3)c2S1(=O)=O ZINC000096020507 FE Annotated Anodyne C=CCN1[C@@H](C)COc2cc(N3CCSCC3)ccc2S1(=O)=O ZINC000096020508 FE Annotated Anodyne CC(C)C[C@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1 ZINC000096020557 FE Annotated Anodyne O=S1(=O)C=CCN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000096020575 FE Annotated Anodyne O=S1(=O)C=CCN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096020576 FE Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000096021229 FE Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000096021230 FE Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000096021231 FE Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000096021232 FE Annotated Anodyne COc1ccc(OC[C@@H]2CN(C3CCCC3)S(=O)(=O)CCO2)cc1 ZINC000096021255 FE Annotated Anodyne COc1ccc(OC[C@H]2CN(C3CCCC3)S(=O)(=O)CCO2)cc1 ZINC000096021256 FE Annotated Anodyne CCc1ccc(CN2CCCn3c(nc(Cn4ccnc4)cc3=O)C2)o1 ZINC000096068108 FE Annotated Anodyne Fc1cccc(-c2nnn3c2COC[C@@H](CNCc2nccs2)C3)c1 ZINC000096069494 FE Annotated Anodyne Fc1cccc(-c2nnn3c2COC[C@H](CNCc2nccs2)C3)c1 ZINC000096069495 FE Annotated Anodyne O=C(N1CCCC1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 ZINC000096078203 FE Annotated Anodyne CC(C)n1nc(CNc2ncccn2)c2c1CN(C1CCOCC1)CC2 ZINC000096084249 FE Annotated Anodyne C=C1C[C@@H]2C=C(CC[C@](O)(C(C)C)/C=C/[C@@](C)(O)CC[C@H]1O)C(=O)O2 ZINC000096086059 FE Annotated Mild in-vitro C=C1C[C@@H]2C=C(CC[C@](O)(C(C)C)/C=C/[C@@](C)(O)CC[C@@H]1O)C(=O)O2 ZINC000096086060 FE Annotated Mild in-vitro CC(C)[C@]1(O)/C=C/[C@](C)(O)C/C=C/[C@@](C)(O)C[C@@H]2C=C(CC1)C(=O)O2 ZINC000096086061 FE Annotated Anodyne in-vitro COC(=O)/C=C\NC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1 ZINC000096086341 FE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1/O[C@@]23CCC[N+]4([O-])CCC[C@@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000096086400 FE Annotated Bother Cc1ncoc1C(=O)N1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC000096111102 FE Annotated Anodyne Cc1ncoc1C(=O)N1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC000096111103 FE Annotated Anodyne CCN1C[C@H]2C3(CCN(C(=O)NC(C)C)CC3)CC[C@@]2(C(=O)N(C)C)C1 ZINC000096143887 FE Annotated Anodyne CCOC[C@]1(O)C[C@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168561 FE Annotated Anodyne COc1ncc(CC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 ZINC000096172071 FE Annotated Anodyne c1cc(OC[C@@H]2CNCCO2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096175117 FE Annotated Anodyne c1cc(OC[C@H]2CNCCO2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096175118 FE Annotated Anodyne Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175194 FE Annotated Anodyne Cc1cc(S(=O)(=O)c2cncnc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175195 FE Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1cnn([C@@H]3CCOC3)c1)=NC2 ZINC000096175996 FE Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1cnn([C@H]3CCOC3)c1)=NC2 ZINC000096175997 FE Annotated Anodyne c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc(NC2COC2)n1 ZINC000096176008 FE Annotated Anodyne CS(=O)(=O)c1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1 ZINC000096176049 FE Annotated Anodyne CC(C)n1cc(C2=NCc3ccnc(OCCN4CCOC4=O)c32)cn1 ZINC000096176062 FE Annotated Anodyne Cc1ccc(CN2CCC[C@]3(C(=O)O)CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096185228 FE Annotated Anodyne CN(C)C(=O)N[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000096220729 FE Annotated Anodyne CN(C)C(=O)N[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000096220731 FE Annotated Anodyne CC(C)NC(=O)N1CC[C@]2(COCc3cnc(-c4cccnc4)nc32)C1 ZINC000096244314 FE Annotated Anodyne CC(C)NC(=O)N1CC[C@@]2(COCc3cnc(-c4cccnc4)nc32)C1 ZINC000096244315 FE Annotated Anodyne CC(C)CCN1[C@@]2(CCN(C(=O)N(C)C)C2)c2ccccc2S1(=O)=O ZINC000096261994 FE Annotated Anodyne CC(C)CCN1[C@]2(CCN(C(=O)N(C)C)C2)c2ccccc2S1(=O)=O ZINC000096261995 FE Annotated Anodyne CC1=NN(CC(=O)Nc2ccc(I)cc2)C(=O)CC1 ZINC000096271782 FE Annotated Anodyne Cc1nc(NC(=O)N2CC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C)n1 ZINC000096272379 FE Annotated Anodyne O=S(=O)(N1CCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1 ZINC000096272997 FE Annotated Mild CC1(C)OC(N[C@@H](CCO)c2ccc(F)cc2)=NS(=O)(=O)C1(C)C ZINC000096273927 FE Annotated Anodyne O=S1(=O)N=C(N[C@@H](CCCO)c2ccccc2)O[C@H]2CCCC[C@H]21 ZINC000096273938 FE Annotated Anodyne CCc1ccc(-c2nc3c(=O)n(Cc4ccccc4)c(=O)nc-3n(C)n2)cc1 ZINC000096282733 FE Annotated Anodyne CS(=O)(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1 ZINC000096282851 FE Annotated Anodyne O=C(O[C@@H]1CS[S@@](=O)C1)c1ccccc1I ZINC000096283332 FE Annotated Reactive O=C(O[C@H]1CS[S@@](=O)C1)c1ccccc1I ZINC000096283333 FE Annotated Reactive O=C(O[C@@H]1CS[S@](=O)C1)c1ccccc1I ZINC000096283334 FE Annotated Reactive O=C(O[C@H]1CS[S@](=O)C1)c1ccccc1I ZINC000096283335 FE Annotated Reactive O=C(O[C@@H]1CS[S@@](=O)C1)c1ccc(I)cc1 ZINC000096283336 FE Annotated Reactive O=C(O[C@H]1CS[S@@](=O)C1)c1ccc(I)cc1 ZINC000096283337 FE Annotated Reactive O=C(O[C@@H]1CS[S@](=O)C1)c1ccc(I)cc1 ZINC000096283338 FE Annotated Reactive O=C(O[C@H]1CS[S@](=O)C1)c1ccc(I)cc1 ZINC000096283339 FE Annotated Reactive CCOC(=O)[C@]12C(N)=NC(=C(C#N)C#N)[C@@]1(C#N)[C@H]2c1ccccc1Cl ZINC000096336661 FE Annotated Reactive CCOC(=O)[C@]12C(N)=NC(=C(C#N)C#N)[C@@]1(C#N)[C@@H]2c1ccccc1Cl ZINC000096336663 FE Annotated Reactive O=C(c1cc2c(nc1Cl)CCC2)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000096837030 FE Annotated Anodyne O=C(c1cc2c(nc1Cl)CCC2)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000096837031 FE Annotated Anodyne COc1c(OC)c(OC)c2c(c1O)c(=O)c1ccc(N(C)C)cc1n2C ZINC000096900947 FE Annotated Bother C[C@H]1CCC/C=C/[C@H]2C[C@H](OC(=O)CN(C)C)C[C@@H]2[C@@H](O)/C=C\C(=O)O1 ZINC000096901731 FE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@H](O)c3ccccc3)C(=O)[C@@]21C ZINC000096903242 FE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@@H](O)c3ccccc3)C(=O)[C@@]21C ZINC000096903243 FE Annotated Mild C[C@@H](O)[C@H]1CC[C@]2(O)[C@]3(O)C[C@@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C ZINC000096903603 FE Annotated Anodyne CC(C)(O)c1cn([C@@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1 ZINC000096904724 FE Annotated Mild CC(C)(O)c1cn([C@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1 ZINC000096904725 FE Annotated Mild COc1ccc(C[C@@]2(O)COc3cc(OC)c(OC)c(OC)c3C2=O)cc1 ZINC000096905619 FE Annotated Anodyne C[C@H]1CCC[C@@]2(O1)O[C@H]1CC(=O)O[C@H]1C1=C2C(=O)c2ccccc2C1=O ZINC000096906618 FE Annotated Mild NCC#Cc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)cc1 ZINC000096906825 FE Annotated Mild Cc1ccc(NC(=O)CSc2nnc(NC(=O)CCl)s2)nc1 ZINC000096908518 FE Annotated Reactive C[C@@]1(c2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O ZINC000096909302 FE Annotated Anodyne C[C@]1(c2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O ZINC000096909303 FE Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)[C@@H]1O)Nc1ccccc14)[C@H]32 ZINC000096910321 FE Annotated Anodyne N#Cc1c(-c2ccccc2)nc(SC[C@@H]2CO2)nc1N1CCOCC1 ZINC000096910356 FE Annotated Mild N#Cc1c(-c2ccccc2)nc(SC[C@H]2CO2)nc1N1CCOCC1 ZINC000096910357 FE Annotated Mild CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cnc([N+](=O)[O-])c3)[C@@H]2CC1 ZINC000096910784 FE Annotated Bother O=c1nc(N2CCOCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000096910803 FE Annotated Bother COC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000096911108 FE Annotated Anodyne N#Cc1ccc(/C=N/n2cnc3c(cnn3Cc3ccccc3)c2=O)cc1 ZINC000096913358 FE Annotated Mild CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000096913458 FE Annotated Anodyne O=C1OCC(OCCOC(=O)c2ccc(O)cc2O)=C1c1ccccc1 ZINC000096914291 FE Annotated Anodyne O=C1OCC(OCCOC(=O)c2ccc(O)c(O)c2)=C1c1ccccc1 ZINC000096914292 FE Annotated Clean O=C1OCC(OCCOC(=O)c2cc(O)cc(O)c2)=C1c1ccccc1 ZINC000096914293 FE Annotated Anodyne COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2O)cc1 ZINC000096914502 FE Annotated Anodyne COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1 ZINC000096914503 FE Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2C(=C[C@H](O)[C@H]3[C@@]2(C)[C@H](O)CC[C@@]3(C)C(=O)O)[C@H]1O ZINC000096914701 FE Annotated Mild O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1cc(F)cc(F)c1 ZINC000096917681 FE Annotated Anodyne O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(N3CCOC3=O)nc2)c(F)c1 ZINC000096922452 FE Annotated Anodyne O=C(C1CCCCC1)N1CCN(Cc2oc(CCl)cc(=O)c2O)CC1 ZINC000096922490 FE Annotated Reactive Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)[n+]([O-])cn1C1CCCCC1 ZINC000096922813 FE Annotated Reactive CCC(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1 ZINC000096924145 FE Annotated Anodyne COc1ccc2c(c1)n(C)c(=O)n2Cc1cc(OC)c(OC)c(OC)c1 ZINC000096926917 FE Annotated Anodyne C/C(=N\N=C1/N=C2OC(=O)C=C2S1)c1ccc(N2CCOCC2)cc1 ZINC000096927942 FE Annotated Mild CC(=S)NC[C@H]1CN(c2ccc(-c3nc(C)no3)c(F)c2)C(=O)O1 ZINC000096928827 FE Annotated Anodyne CC(=S)NC[C@@H]1CN(c2ccc(-c3nc(C)no3)c(F)c2)C(=O)O1 ZINC000096928828 FE Annotated Anodyne CC(C)NC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c2c(N)scc12 ZINC000096929715 FE Annotated Bother CCOC(=O)c1c(C)nc2c3c(C)nn(-c4ccccc4)c3ncn2c1=N ZINC000096929819 FE Annotated Anodyne Cn1nnnc1Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000096932739 FE Annotated Bother COc1cc(-c2nc(S)n3nc(C)nc3c2C#N)cc(OC)c1OC ZINC000096932753 FE Annotated Mild COc1cc(-c2nc(S)n3c(C)nnc3c2C#N)cc(OC)c1OC ZINC000096932759 FE Annotated Mild [N-]=[N+]=N[C@H]1C[C@H](n2cnc3nc(N)nc(Oc4ccccc4)c32)O[C@@H]1CO ZINC000096933210 FE Annotated Clean O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000096934341 FE Annotated Mild O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000096934342 FE Annotated Mild O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1ccccc1[N+](=O)[O-] ZINC000096934345 FE Annotated Mild O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1ccccc1[N+](=O)[O-] ZINC000096934346 FE Annotated Mild O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000096934371 FE Annotated Mild O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000096934372 FE Annotated Mild CCN(CC)C(=O)Cc1cn(CNc2ccnc3cc(C#N)ccc23)nn1 ZINC000096934971 FE Annotated Mild C[C@@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000096935358 FE Annotated Anodyne C[C@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000096935359 FE Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1C(=O)OC[C@H]1O ZINC000096935360 FE Annotated Anodyne C[C@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1C(=O)OC[C@H]1O ZINC000096935361 FE Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1C(=O)OC[C@H]1O ZINC000096935362 FE Annotated Anodyne C[C@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1C(=O)OC[C@H]1O ZINC000096935363 FE Annotated Anodyne CCNc1cn(C)nc1C(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F ZINC000096938688 FE Annotated Anodyne CS(=O)(=O)c1ccc(Cc2n[nH]c(=S)n2/N=C/c2cccnc2)cc1 ZINC000098081967 FE Annotated Mild Cc1cccc2cc3c(nc12)SC(NCCN1CCOCC1)=NN=C3 ZINC000098081989 FE Annotated Anodyne Cc1ccc2nc3c(cc2c1)C=NN=C(NCCN1CCOCC1)S3 ZINC000098082441 FE Annotated Anodyne Cc1c(C(N)=O)sc2nc(C)n(NC(=S)Nc3ccccc3)c(=O)c12 ZINC000098082853 FE Annotated Anodyne Cc1nn(-c2ccc(-c3nnc(S)o3)cc2)c(=O)n1/N=C/c1ccco1 ZINC000098083102 FE Annotated Mild COc1ccc(/C=C(\C#N)Cn2nnn(-c3ccc(OC)cc3)c2=O)cc1 ZINC000098084839 FE Annotated Reactive O=C(O)c1ccc(CCCNS(=O)(=O)c2ccsc2C(=O)O)cc1 ZINC000098207994 FE Annotated Anodyne CC(C)Oc1ccc2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2c1 ZINC000098209340 FE Annotated Anodyne