CN1C(=O)[C@]23CC4=CC=C[C@@H](O)[C@@H]4N2C(=O)[C@@]1(CO)SS3 ZINC000000000343 EB Annotated Reactive O=C1N[C@H]([C@@H]2CC[C@@H](Cl)CN2)C(=O)N[C@@H]1[C@@H]1CC[C@@H](Cl)CN1 ZINC000000001952 EB Annotated Reactive in-vitro O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCOCC1 ZINC000000218170 EB Annotated Anodyne O=C(C1CCN(S(=O)(=O)N2CCCC2)CC1)N1CCOCC1 ZINC000000219508 EB Annotated Anodyne COc1cc(-n2cnnn2)ccc1S(=O)(=O)N1CCOCC1 ZINC000000410821 EB Annotated Anodyne C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@]1(C)O)[C@H]23 ZINC000001319792 EB Annotated Anodyne in-vitro biogenic CSCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000100193243 EB Annotated Mild in-vitro CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@@]12CO2 ZINC000100257065 EB Annotated Mild in-man biogenic CC(=O)OC[C@@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@@]12CO2 ZINC000100257072 EB Annotated Mild in-man biogenic CC1=C[C@@]2(CO)C(=O)[C@]3(CO3)[C@H]1[C@H]1[C@]2(C)C=C(CO)C(=O)[C@]12CO2 ZINC000100264551 EB Annotated Mild O=C(O)C1=C/C(=C/C=N\[C@H](CCCO)C(=O)O)C[C@H](C(=O)O)N1 ZINC000100400232 EB Annotated Mild O=C(O)C1=C/C(=C/C=N\[C@H](CCCO)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000100400235 EB Annotated Mild O=C(O)C1=C/C(=C/C=N\[C@@H](CCCO)C(=O)O)C[C@H](C(=O)O)N1 ZINC000100400238 EB Annotated Mild in-vitro O=C(O)C[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000100400277 EB Annotated Mild in-vitro O=C(O)C[C@H](/N=C\C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000100400281 EB Annotated Mild in-vitro O=C(O)C[C@H](/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000100400286 EB Annotated Mild in-vitro NC(=O)CC[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000100400446 EB Annotated Mild NC(=O)CC[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000100400451 EB Annotated Mild NC(=O)CC[C@H](/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000100400460 EB Annotated Mild in-vitro O=C(O)CC[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000100400463 EB Annotated Mild in-vitro biogenic O=C(O)CC[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000100400467 EB Annotated Mild O=C(O)CC[C@H](/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000100400475 EB Annotated Mild in-vitro O=C(O)CC[C@H](/N=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000100400493 EB Annotated Mild O=C1C=CC(=CNNC(=O)CC(=O)NNC=C2C=CC(=O)C=C2)C=C1 ZINC000100509829 EB Annotated Reactive C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+]([O-])c(C#N)c(N)[n+]2[O-] ZINC000100759042 EB Annotated Mild CC1(C)O[C@]2(C)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100776850 EB Annotated Anodyne in-man endogenous CC1(C)O[C@@]2(C)CC[C@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100776851 EB Annotated Anodyne in-man endogenous C#CCNC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@H]2N[C@H]32)C1=O ZINC000100805874 EB Annotated Mild C#CCNC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2N[C@H]32)C1=O ZINC000100805876 EB Annotated Mild C#CCNC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@H]2N[C@@H]32)C1=O ZINC000100805877 EB Annotated Mild C#CCNC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2C[C@@H]2N[C@@H]32)C1=O ZINC000100805879 EB Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)[C@]3(CO)[C@H](O)C(=O)C(C)=C[C@H]3O[C@H]1[C@]21CO1 ZINC000100824295 EB Annotated Mild in-man CC(=O)O[C@H]1C[C@]2(C)[C@]3(CO)[C@H](O)C(=O)C(C)=C[C@H]3O[C@H]1[C@]21CO1 ZINC000100824296 EB Annotated Mild in-man CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO)[C@H](O)C(=O)C(C)=C[C@H]3O[C@H]1[C@]21CO1 ZINC000100824299 EB Annotated Mild in-man CC(=O)O[C@H]1C[C@@]2(C)[C@]3(CO)[C@H](O)C(=O)C(C)=C[C@H]3O[C@H]1[C@]21CO1 ZINC000100824300 EB Annotated Mild in-man NC1=N/C(=C\[C@@H](O)CNC(=O)c2cc(Br)c[nH]2)C(=O)N1 ZINC000100825912 EB Annotated Anodyne NC1=N/C(=C\[C@H](O)CNC(=O)c2cc(Br)c[nH]2)C(=O)N1 ZINC000100825915 EB Annotated Anodyne CCO[C@@H](COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O ZINC000100836093 EB Annotated Mild CCO[C@H](COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O ZINC000100836096 EB Annotated Mild CCC1=C(N2CC2)C(=O)C([C@@H](COC(N)=O)OC)=C(N2CC2)C1=O ZINC000100839764 EB Annotated Mild CCC1=C(N2CC2)C(=O)C([C@H](COC(N)=O)OC)=C(N2CC2)C1=O ZINC000100839765 EB Annotated Mild CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@H]2OC(=O)[C@H](O)[C@]231 ZINC000100911208 EB Annotated Anodyne CC(=O)c1cc(S(C)(=O)=O)cc(NC(=O)c2nn[nH]n2)c1O ZINC000100935054 EB Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000101021373 EB Annotated Mild CO[C@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000101021376 EB Annotated Mild Cc1ccc2c(c1)[n+]([O-])c(NCCNCN1CCOCC1)n[n+]2[O-] ZINC000101099759 EB Annotated Anodyne CO[C@@]12[C@@H](CC(=O)ON)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000101186425 EB Annotated Mild CCCCNC(=O)N/N=C/c1ccc2c(c1)[n+]([O-])c(C#N)c(N)[n+]2[O-] ZINC000101228897 EB Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=CC(=N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000101268133 EB Annotated Mild Cn1c(=O)c(C(=O)NCCNCCNCCN)c(O)c2ccccc21 ZINC000101392794 EB Annotated Anodyne COC(=O)C(C(=O)OC)=C1NC(=O)N([C@H]2C=C[C@H](CO)O2)C=C1C ZINC000101466952 EB Annotated Anodyne [O-][n+]1nc(NCCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)CCO3 ZINC000101635092 EB Annotated Anodyne [O-][n+]1nc(NCCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)OCC3 ZINC000101637924 EB Annotated Anodyne N[C@H]1NC(=O)/C(=C2/CCNC(=O)c3[nH]cc(Br)c32)N1 ZINC000101693016 EB Annotated Anodyne N[C@@H]1NC(=O)/C(=C2/CCNC(=O)c3[nH]cc(Br)c32)N1 ZINC000101693019 EB Annotated Anodyne CO[C@]12[C@@H]3[C@@H](CN1C1=C(C(=O)C(=N)C(C)=C1O)[C@@H]2COC(N)=O)N3C ZINC000101712315 EB Annotated Mild CCN1C(=O)[C@H]2CC=C3[C@@H]([C@H](O)[C@H]4O[C@@H]4C34OCCCO4)[C@H]2C1=O ZINC000102529803 EB Annotated Anodyne COC(=O)c1ccc(N2C[C@H]3CNC(=O)[C@@]2(C(=O)OC)N3C)cc1 ZINC000102803090 EB Annotated Anodyne CC(C)CO/N=C1\[C@@H]2CCn3c(=O)n(C)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12 ZINC000102833405 EB Annotated Mild COC1(OC)N=C(N)[C@@]2(C#N)[C@@]1(C#N)[C@]21C(=O)N(C(C)C)N=C1C ZINC000102916919 EB Annotated Mild COC1(OC)N=C(N)[C@]2(C#N)[C@]3(C(=O)N(C(C)C)N=C3C)[C@@]12C#N ZINC000102916921 EB Annotated Anodyne CCOC(=O)C1=C(C)C2[C@H]3C(=O)NC(=O)[C@@H]3C1(C)[C@@H]1C(=O)NC(=O)[C@H]21 ZINC000102956664 EB Annotated Anodyne O=C1N[C@@H]2O[C@H](CNC(=O)c3cc(Br)c[nH]3)C[C@]2(O)N1 ZINC000102966537 EB Annotated Anodyne C[C@H]1S(=O)(=O)C[C@H](NC(=O)N(CCCl)N=O)CS1(=O)=O ZINC000102996956 EB Annotated Reactive C[C@H]1S(=O)(=O)C[C@@H](NC(=O)N(CCCl)N=O)CS1(=O)=O ZINC000103008018 EB Annotated Reactive Cc1nn(CNCCN2CCNCC2)c(=O)n1CCCn1ccnc1 ZINC000103171779 EB Annotated Anodyne CCOC(=O)NC1=NC=N[C@@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 ZINC000103174476 EB Annotated Anodyne CCOC(=O)NC1=NC=N[C@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 ZINC000103174479 EB Annotated Anodyne CC(=O)C1=C(N)C2=C3CCCN3[C@](O)(N3CCOCC3)[C@@H]2N=C1C ZINC000103174989 EB Annotated Mild CC(=O)C1=C(N)C2=C3CCCN3[C@](O)(N3CCOCC3)[C@H]2N=C1C ZINC000103174991 EB Annotated Mild CO/N=C(\C#N)C(=O)NC(=O)NNS(=O)(=O)c1ccccc1 ZINC000103180319 EB Annotated Reactive CC(=O)CC(=O)N[C@@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 ZINC000103200880 EB Annotated Reactive CC(=O)CC(=O)N[C@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 ZINC000103200883 EB Annotated Reactive N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1NC(=O)CCl ZINC000103210920 EB Annotated Reactive N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@@H]1NC(=O)CCl ZINC000103210923 EB Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1NC(=O)CCl ZINC000103210926 EB Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1NC(=O)CCl ZINC000103210929 EB Annotated Reactive CCNC(=S)N[C@@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 ZINC000103221239 EB Annotated Reactive CCNC(=S)N[C@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 ZINC000103221240 EB Annotated Reactive CCN1C(=N)C2=C3CCCN3[C@](O)(N3CCOCC3)[C@@H]2NC1=S ZINC000103221250 EB Annotated Anodyne CN1C(=O)C(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O ZINC000103238300 EB Annotated Reactive C/C(=N\NS(=O)(=O)c1ccc(C)cc1)C1C(=O)NC(=O)NC1=O ZINC000103238321 EB Annotated Mild CN1C(=O)C(/C=N/NS(=O)(=O)c2ccccc2)C(=O)N(C)C1=O ZINC000103238329 EB Annotated Mild COCCOCCOCCOC(=O)CN1C(=O)[C@H]2C=C[C@@]1(C)OO2 ZINC000103254276 EB Annotated Reactive COCCOCCOCCOC(=O)CN1C(=O)[C@H]2C=C[C@H]1OO2 ZINC000103254308 EB Annotated Reactive COCCOCCOCCOC(=O)CN1C(=O)[C@@]2(C)C=C[C@H]1OO2 ZINC000103254314 EB Annotated Reactive COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cn1c(=O)c(C)nc2ccccc21 ZINC000103276574 EB Annotated Anodyne COC(=O)[C@H](CCCCN)NC(=O)Cn1c([N+](=O)[O-])cnc1C ZINC000103276963 EB Annotated Bother CCOP(=O)(Cn1cc(Cn2ncc(=O)[nH]c2=O)nn1)OCC ZINC000103281658 EB Annotated Anodyne O=c1[nH]c(CSc2nc3ccnn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288884 EB Annotated Anodyne CNC(=O)N[C@H]1[C@@H]2NC(=O)c3ccc(Br)n3[C@@H]2C[C@H]1O ZINC000103301488 EB Annotated Anodyne C=C1C[C@@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@]2(O)[C@@H](O)[C@@H]1[C@@H](O)[C@H]73 ZINC000103556078 EB Annotated Mild in-vitro biogenic O=C(O)C1=C/C(=C/C=N/[C@@H](CCCO)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000103556572 EB Annotated Mild in-vitro biogenic C=C[C@H]1OC(=O)C=C2[C@@]3(C)[C@H]4O[C@H]4[C@H](O)[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]215)[C@H]34 ZINC000103582265 EB Annotated Mild in-vitro biogenic O=C(O)C[C@@H](/N=C\C=C1/C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000103584108 EB Annotated Mild in-vitro biogenic CC1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000103884885 EB Annotated Anodyne in-man CC1=C/C(=C2/C=C(C(=O)N[C@@H]3CCS(=O)(=O)C3)NN2)C(=O)C=C1 ZINC000103918486 EB Annotated Mild CC1=C/C(=C2/C=C(C(=O)N[C@H]3CCS(=O)(=O)C3)NN2)C(=O)C=C1 ZINC000103918489 EB Annotated Mild CCOC(=O)CNc1c(N2CCN(c3ccccn3)CC2)c(=O)c1=O ZINC000104037989 EB Annotated Anodyne CCC/N=C1/N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12 ZINC000104188782 EB Annotated Mild CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N\C ZINC000104188810 EB Annotated Mild CC1(C)O[C@@]2(C)CC[C@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000104360103 EB Annotated Anodyne in-man COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)C1 ZINC000105575287 EB Annotated Mild CCS(=O)(=O)N1CC(=O)N(CCOc2ccccc2)C[C@@H](O)C1 ZINC000105845669 EB Annotated Anodyne CCS(=O)(=O)N1CC(=O)N(CCOc2ccccc2)C[C@H](O)C1 ZINC000105845675 EB Annotated Anodyne CCC(CC)[C@@H](NC(C)=O)[C@H]1[C@@H](NC(=N)N)C[C@H](C(=O)O)[C@@H]1O ZINC000011679447 EB Annotated Anodyne CCC(CC)[C@H](NC(C)=O)[C@H]1[C@@H](NC(=N)N)C[C@H](C(=O)O)[C@@H]1O ZINC000011679451 EB Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2C)CC1 ZINC000011872915 EB Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2C)CC1 ZINC000011872916 EB Annotated Anodyne CCOC(=O)[C@H](O)[C@@H](O)c1cccc([C@H](O)[C@@H](O)C(=O)OCC)c1 ZINC000012471102 EB Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2C(C)C)CC1 ZINC000012587779 EB Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)NCCN2C(C)C)CC1 ZINC000012587786 EB Annotated Anodyne O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1cnc([N+](=O)[O-])n1 ZINC000012971196 EB Annotated Bother O=C(CCCn1cnc([N+](=O)[O-])n1)NCCn1ccnc1[N+](=O)[O-] ZINC000012971197 EB Annotated Bother COC(=O)[C@H]1[C@@H]2[C@H](CC(C)=O)[C@H](C(=O)OC)ON2O[C@H]1C(=O)OC ZINC000013116061 EB Annotated Anodyne O=C(Cc1n[nH]c(=O)[nH]c1=O)NN/C=C1\C(=O)C=Cc2ccccc21 ZINC000013119011 EB Annotated Reactive CC1=C(O)/C(=C\NNC(=O)C2=CC(=O)C(=O)C(O)=C2)C(CO)=CN1 ZINC000013120324 EB Annotated Reactive COC1=C/C(=C/NNC(=S)NCCN2CCOCC2)C=CC1=O ZINC000013122222 EB Annotated Mild COC1=CC(=CNNC2=c3ccccc3=NC2=O)C=C(OC)C1=O ZINC000013122239 EB Annotated Mild COC1=CC=C/C(=C\NNC(=O)CNC(=O)c2cccnc2)C1=O ZINC000013122697 EB Annotated Reactive O=C(NCCCN1CCOCC1)C(=O)NN/C=C1\C=CC=CC1=O ZINC000013122731 EB Annotated Reactive CN1CCN(CCC(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)CC1 ZINC000013122737 EB Annotated Reactive Cc1nnn(-c2nonc2N)c1C(=O)NN/C=C1\C=CC=CC1=O ZINC000013122771 EB Annotated Reactive COC1=C/C(=C/NNC(=O)C(=O)NCc2cccnc2)C=CC1=O ZINC000013124313 EB Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)Cn2nccc2C)C1=O ZINC000013126306 EB Annotated Reactive CC1(CC(=O)NN/C=C2\C=C([N+](=O)[O-])C(=O)C=C2O)OCCO1 ZINC000013126495 EB Annotated Reactive CN(C)c1nc2ncc([C@H](O)[C@@H]3CO[P@](=O)(O)O3)nc2c(=O)[nH]1 ZINC000013358157 EB Annotated Anodyne C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCC)C(=O)[C@H]1O[C@H]1CO ZINC000013369553 EB Annotated Anodyne COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@@](C)(O)[C@@H](O)[C@@H]3O ZINC000013378770 EB Annotated Mild CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@@H]2C1 ZINC000013383674 EB Annotated Anodyne in-vitro CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@@H]2C1 ZINC000013383689 EB Annotated Anodyne in-vitro CC(=O)NCC[S@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@@H]2C1 ZINC000013383690 EB Annotated Anodyne in-vitro CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 ZINC000013383691 EB Annotated Anodyne in-vitro CC(=O)NCC[S@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 ZINC000013383692 EB Annotated Anodyne in-vitro OC[C@@H](O)[C@H]1O[C@@H](Nc2ccc(Br)cc2)[C@@H](O)[C@@H]1O ZINC000013424974 EB Annotated Anodyne OC[C@H](O)[C@H]1O[C@@H](Nc2ccc(Br)cc2)[C@@H](O)[C@@H]1O ZINC000013424975 EB Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](N2CN(C)C(=O)NC2=O)C[C@H]1OC(C)=O ZINC000013458951 EB Annotated Anodyne COC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(OS(C)(=O)=O)C2=O ZINC000013476664 EB Annotated Mild O=C([C@H](Cc1ccc(O)cc1)n1cc(CCO)nn1)N1CCNCC1 ZINC000013478046 EB Annotated Anodyne NCCCC[C@@H](C(=O)N1CCNCC1)n1cc(CCC(=O)O)nn1 ZINC000013478061 EB Annotated Anodyne NCCCC[C@H](NC(=O)C1CCNCC1)c1nnc([C@@H](N)CO)o1 ZINC000013478116 EB Annotated Anodyne N[C@@H](CO)c1nnc([C@H](CCC(=O)O)NC(=O)C2CCNCC2)o1 ZINC000013478118 EB Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](COS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000013488113 EB Annotated Anodyne CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(N)(=O)=O)O1 ZINC000013520278 EB Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(N)(=O)=O)O1 ZINC000013520282 EB Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COS(N)(=O)=O ZINC000013520286 EB Annotated Anodyne NS(=O)(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000013528821 EB Annotated Anodyne C[C@@](CCC(=O)O)(NC(=O)N[C@@](C)(CCC(=O)O)C(=O)O)C(=O)O ZINC000013529674 EB Annotated Anodyne Cc1cc2c(cc1C(=O)N=C(N)N)S(=O)(=O)CCC21OCCO1 ZINC000013555812 EB Annotated Mild Cc1cc2c(cc1C(=O)N=C(N)N)S(=O)(=O)CC21OCCO1 ZINC000013555860 EB Annotated Mild COC(=O)C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2C1 ZINC000013558349 EB Annotated Anodyne CC(=O)O[C@@H]1C(=O)C[C@H](O)[C@H](NC(=O)c2ccccc2)[C@H]1OC(C)=O ZINC000013558390 EB Annotated Anodyne NC(=O)CN1CC[C@@](Cc2ccccc2)(NC(=O)[C@@H]2CCCN2)C1=O ZINC000013558824 EB Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560194 EB Annotated Mild CC[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560195 EB Annotated Mild CCCN(C)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560214 EB Annotated Mild CCCN(C)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560215 EB Annotated Mild CCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560226 EB Annotated Mild CCN(CC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560227 EB Annotated Mild NS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000013648902 EB Annotated Bother O=C(CNc1ccc(O)cc1)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O ZINC000013781316 EB Annotated Anodyne C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23 ZINC000013783461 EB Annotated Anodyne O=C(Nc1nnn[nH]1)c1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1 ZINC000013798668 EB Annotated Anodyne N[C@@H](CNC(=O)C1=NO[C@@H](CCCCNc2ncc[nH]2)C1)C(=O)O ZINC000013803615 EB Annotated Anodyne N[C@@H](CNC(=O)C1=NO[C@H](CCCCNc2ncc[nH]2)C1)C(=O)O ZINC000013803618 EB Annotated Anodyne N=C(N)NNS(=O)(=O)c1ccc(I)cc1 ZINC000013808141 EB Annotated Anodyne NS(=O)(=O)c1cc2cc(C(=O)NC[C@@H](O)CO)sc2s1 ZINC000013822184 EB Annotated Anodyne C=CC(=O)NC[C@H]1[C@H](N)[C@H](C(=O)O)CN1C(=O)N(CC)C(C)C ZINC000013862548 EB Annotated Anodyne CNC(=O)O[C@@H]1CO[C@]2(COC(C)(C)O2)[C@@](O)([C@]2(C)CO2)[C@@H]1OC ZINC000013908170 EB Annotated Anodyne C=C(C)C[C@@H](NC(=O)[C@H](CO)NC(=O)CCC)C(=O)[C@@]1(CO)CO1 ZINC000013914813 EB Annotated Mild in-vitro C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCC)C(=O)[C@]1(CO)CO1 ZINC000013914815 EB Annotated Mild in-vitro C=C(C)C[C@@H](NC(=O)[C@H](CO)NC(=O)CCC)C(=O)[C@]1(CO)CO1 ZINC000013914816 EB Annotated Mild in-vitro CCN(CC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013975781 EB Annotated Mild C=C[C@](C)(CCC[C@H](C)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000135870799 EB Annotated Mild CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000136377369 EB Annotated Anodyne CO[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000136377412 EB Annotated Anodyne C[C@H]1CC[C@H]([C@]2(C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O2)C(=O)C1 ZINC000137749442 EB Annotated Anodyne COc1cc(C2=CC(=O)C(N)=C(C(=O)O)C2=O)c(O)c(C(=O)O)c1N ZINC000138071862 EB Annotated Mild O=C(Cn1nnc(N2CCCCC2)n1)NN/C=C1\C=CC=CC1=O ZINC000138278747 EB Annotated Reactive O=C(O)C[C@@H](/N=C/C=C1/C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000139150469 EB Annotated Mild O=C(O)C[C@@H](/N=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000139150592 EB Annotated Mild COC(=O)[C@H](O)[C@@H](C(=O)SC[C@H](NC(C)=O)C(=O)O)C(C)C ZINC000139478021 EB Annotated Anodyne CC(C)CC(=O)C1=C(O)[C@@](O)(C(=O)C[C@@H](O)C(C)(C)O)C(=O)C1=O ZINC000014447698 EB Annotated Mild in-man endogenous CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@@H](O)C(C)(C)O)C(=O)C1=O ZINC000014447700 EB Annotated Mild in-man endogenous CC(C)CC(=O)C1=C(O)[C@@](O)(C(=O)C[C@H](O)C(C)(C)O)C(=O)C1=O ZINC000014447702 EB Annotated Mild in-man endogenous CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@H](O)C(C)(C)O)C(=O)C1=O ZINC000014447703 EB Annotated Mild in-man endogenous Cn1c(=O)c2nc(C3=CCO[P@](=O)(O)O3)cnc2n(C)c1=O ZINC000014496093 EB Annotated Anodyne CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCCC[C@]21[C@H](C)O)[C@H]3O ZINC000140000418 EB Annotated Anodyne CO[C@]12OC/C(=C3\C(=O)N(C)CC[C@]3(C)C(=O)CCC[C@@H]1O)[C@@H]2O ZINC000140000587 EB Annotated Anodyne CSc1c([C@@H](O)CO)sc2nc3[nH]c(=O)[nH]c(=O)c3nc12 ZINC000140128069 EB Annotated Anodyne C/C=C(\NC1=C(OC)/C(=N/CC(=O)O)C[C@](O)(CO)C1)C(=O)O ZINC000140151265 EB Annotated Mild CN(C)C1=N[C@H]2[C@H](O[C@H]([C@](C)(O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 ZINC000140629041 EB Annotated Anodyne OCCc1c[n+](Cc2cccc(C[n+]3c[nH]c(CCO)c3)n2)c[nH]1 ZINC000141130442 EB Annotated Anodyne COC(=O)c1ccc(N2C[C@H]3CNC(=O)[C@]2(C(=O)OC)N3C)cc1 ZINC000143523936 EB Annotated Anodyne COc1cc(O)c2c(c1O)[C@@H](O)[C@H]1C[C@](C)(O)[C@H](O)[C@@H](O)[C@@H]1C2=O ZINC000143680195 EB Annotated Anodyne C[C@@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000144237327 EB Annotated Anodyne C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000144249391 EB Annotated Anodyne COC(=O)[C@@]1(O)C=CCC[C@]12O[C@@]1(O)CCC=C[C@@]1(C(=O)OC)O2 ZINC000014515400 EB Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594852 EB Annotated Anodyne in-man C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594853 EB Annotated Anodyne in-man C[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594854 EB Annotated Anodyne in-man C[C@@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594855 EB Annotated Bother C[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594856 EB Annotated Bother C[C@@H]1C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594857 EB Annotated Bother C[C@H]1C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000014594858 EB Annotated Bother O=C1NC(=O)/C(=C/[C@@H](O)CNC(=O)c2cc(Br)c[nH]2)N1 ZINC000014610472 EB Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000014692817 EB Annotated Anodyne in-man biogenic CC(=O)O[C@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000014692819 EB Annotated Anodyne in-man biogenic CC(=O)O[C@@H]1[C@H](O)[C@@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000014692820 EB Annotated Anodyne in-man biogenic CC(=O)O[C@H]1[C@H](O)[C@@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000014692822 EB Annotated Anodyne in-man biogenic CC(=O)O[C@@H]1C[C@@]2(CO)[C@H](C=C1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000014692823 EB Annotated Anodyne in-man biogenic CC(=O)O[C@H]1C[C@@]2(CO)[C@H](C=C1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000014692825 EB Annotated Anodyne in-man biogenic CC(=O)O[C@@H]1C[C@]2(CO)[C@H](C=C1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000014692827 EB Annotated Anodyne in-man biogenic CC(=O)O[C@H]1C[C@]2(CO)[C@H](C=C1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000014692828 EB Annotated Anodyne in-man biogenic CC(=O)OC[C@@]12C[C@@H](O)C(C)=C[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000014692830 EB Annotated Anodyne in-man biogenic CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000014692831 EB Annotated Anodyne in-man biogenic CC(=O)OC[C@@]12C[C@H](O)C(C)=C[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000014692833 EB Annotated Anodyne in-man biogenic CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000014692834 EB Annotated Anodyne in-man biogenic CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@H]1O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@@]12CO2 ZINC000014692977 EB Annotated Mild in-man biogenic CC(=O)OC[C@@]12[C@H](C=C(C)C(=O)[C@H]1O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@@]12CO2 ZINC000014692979 EB Annotated Mild in-man biogenic C=C1CO[C@@](O)([C@@H]2OCO[C@@H](C3CC(=O)NC(=O)C3)[C@@H]2O)[C@@H]1C ZINC000014696907 EB Annotated Mild C=C1CO[C@@](O)([C@@H]2OCO[C@@H](C3CC(=O)NC(=O)C3)[C@@H]2O)[C@H]1C ZINC000014696909 EB Annotated Mild C=C1CO[C@](O)([C@@H]2OCO[C@@H](C3CC(=O)NC(=O)C3)[C@@H]2O)[C@@H]1C ZINC000014696911 EB Annotated Mild C=C1CO[C@](O)([C@@H]2OCO[C@@H](C3CC(=O)NC(=O)C3)[C@@H]2O)[C@H]1C ZINC000014696913 EB Annotated Mild O=c1cc(CCc2ccccc2O)oc2c1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O ZINC000014724692 EB Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@]2(C)[C@@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO ZINC000014820706 EB Annotated Mild in-man CC(=O)O[C@H]1C[C@@]2(C)[C@@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO ZINC000014820708 EB Annotated Mild in-man C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCC)C(=O)[C@@H]1O[C@@H]1CO ZINC000014853102 EB Annotated Anodyne CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@@H](O)[C@]231 ZINC000014859723 EB Annotated Anodyne in-vitro COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)[C@H](O)[C@H]3O ZINC000014860505 EB Annotated Mild CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)(C)O)[C@@H]2C1 ZINC000014920437 EB Annotated Anodyne in-vitro CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)(C)O)[C@H]2C1 ZINC000014920442 EB Annotated Anodyne in-vitro CC1(C)O[C@@]2(C)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000145882485 EB Annotated Anodyne CC1(C)O[C@@]2(C)CC[C@@H]1C[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000145882954 EB Annotated Anodyne Nc1ccn([C@@H]2O[C@@](CO)(CBr)[C@@H](O)[C@H]2F)c(=O)n1 ZINC000147015470 EB Annotated Anodyne CON(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 ZINC000148263535 EB Annotated Anodyne CN(C)C(=O)OC[C@H]1O[C@@H]2SC(N3CCCC3)=N[C@@H]2[C@@H](O)[C@@H]1O ZINC000148265049 EB Annotated Anodyne O=C(O)C1=C/C(=C\C=N\[C@@H](CCCO)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000001531180 EB Annotated Mild in-man NC(=O)CC[C@H](/N=C/C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000001531221 EB Annotated Mild in-man endogenous O=C(O)CC[C@H](/N=C/C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000001531223 EB Annotated Mild in-man endogenous N[C@@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O)c1ccc(O)cc1 ZINC000001535245 EB Annotated Anodyne CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1N1CCC(N)CC1 ZINC000001543432 EB Annotated Anodyne Nc1nnc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O ZINC000001544924 EB Annotated Clean CSC[S@@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000001551199 EB Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@]3(CO3)[C@H]1O[C@H]1C=C(C)C(=O)[C@@H](O)[C@]12CO ZINC000001559479 EB Annotated Mild CCOC(=O)C1=C(C)C2[C@@H]3C(=O)NC(=O)[C@@H]3C1(C)[C@H]1C(=O)NC(=O)[C@@H]21 ZINC000001630248 EB Annotated Anodyne NC1=C(N2CCOCC2)C(=O)NC2=N/C(=C\c3ccccc3)C(=O)N21 ZINC000001649825 EB Annotated Anodyne COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000001702494 EB Annotated Mild CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@@H]4N2C(=O)[C@@]1(CO)SS3 ZINC000001713570 EB Annotated Reactive CC(=O)OC[C@H]1O[C@H](n2c(C#N)cc(=O)[nH]c2=O)C[C@@H]1OC(C)=O ZINC000001857583 EB Annotated Mild CNc1nnc(CNc2ccc(-c3nnc(NC)n3N)cc2)n1N ZINC000001859705 EB Annotated Anodyne CCOC(=O)C1(C(=O)OCC)OC(C)=NC1(C(=O)OC)C(=O)OC ZINC000001862328 EB Annotated Anodyne NS(=O)(=O)c1cc2cc(C(=O)NC[C@H](O)CO)sc2s1 ZINC000001894444 EB Annotated Anodyne CC1(C)O[C@@]2(C)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015169388 EB Annotated Anodyne in-man endogenous CC1(C)O[C@]2(C)CC[C@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015169390 EB Annotated Anodyne in-man endogenous CC(=O)OCC1=CC(=O)[C@]2([C@H](/C=C(\C)C=O)OC(C)=O)O[C@@H]2C1=O ZINC000015216433 EB Annotated Reactive COC(=O)[C@@]1(O)c2c(oc3cccc(O)c3c2=O)C[C@H](OC)[C@H]1O ZINC000015258135 EB Annotated Anodyne in-vitro COC1=CC=C/C(=C\NNC(=O)CNC(=O)c2ccncc2)C1=O ZINC000015837244 EB Annotated Reactive O=C(N/N=C/c1ccco1)[C@@H](O)[C@@H](O)C(=O)N/N=C/c1ccco1 ZINC000015906792 EB Annotated Reactive COC1=C/C(=C/NNC(=O)CNC(=O)c2ccncc2)C=CC1=O ZINC000015934809 EB Annotated Reactive CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C1CC1)N1C(=O)CN(CC3CC3)C(=O)[C@@]21C ZINC000015941186 EB Annotated Anodyne CCOC1=C/C(=C/NNC(=O)C(N)=O)C=C(Br)C1=O ZINC000015962008 EB Annotated Reactive O=C(CNC(=O)c1ccco1)NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1 ZINC000015973856 EB Annotated Reactive CC(=O)OC[C@@H]1O[C@H](n2c(C#N)cc(=O)[nH]c2=O)C[C@H]1OC(C)=O ZINC000016958858 EB Annotated Anodyne CCN(C)C1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O)S1 ZINC000166834776 EB Annotated Anodyne O=S1(=O)CCN(c2n[n+]([O-])c3cc4c(cc3[n+]2[O-])CCC4)CC1 ZINC000169295128 EB Annotated Anodyne CO[C@@]12[C@@H]3[C@@H](CN1C1=C(C(=O)C(=N)C(C)=C1O)[C@@H]2COC(N)=O)N3C ZINC000169296406 EB Annotated Mild COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1CCCC[C@@H]1C ZINC000169296878 EB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1CCCC[C@@H]1C ZINC000169296880 EB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000169296943 EB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000169296945 EB Annotated Anodyne CCOC(=O)NC1=NC=N[C@@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000169302140 EB Annotated Anodyne CCOC(=O)NC1=NC=N[C@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000169302143 EB Annotated Anodyne CC(=O)C1=C(N)C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@@H]2N=C1C ZINC000169302225 EB Annotated Mild CC(=O)CC(=O)N[C@@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 ZINC000169305118 EB Annotated Reactive CC(=O)CC(=O)N[C@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 ZINC000169305119 EB Annotated Reactive CCNC(=S)N[C@@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 ZINC000169306988 EB Annotated Reactive CCNC(=S)N[C@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 ZINC000169306989 EB Annotated Reactive CCN1C(=N)C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@@H]2NC1=S ZINC000169306995 EB Annotated Anodyne O=C(Nc1nnn[nH]1)c1cc(=O)c2cc(-c3nnn[nH]3)ccc2o1 ZINC000169315137 EB Annotated Anodyne C[N+](C)(C)CCCCCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000169315757 EB Annotated Bother NCCCCCCS[C@H]1O[C@H](CO)[C@@H](OC(N)=O)[C@H](O)[C@@H]1O ZINC000169315787 EB Annotated Anodyne NCCCCCCS[C@H]1O[C@H](COC(N)=O)[C@@H](O)[C@H](O)[C@@H]1O ZINC000169315788 EB Annotated Anodyne NC(=O)c1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1 ZINC000169316057 EB Annotated Anodyne N#C[C@H]1O[C@@H](n2cc(I)c(O)nc2=O)C[C@@H]1O ZINC000169317482 EB Annotated Mild C=CC(=O)NC[C@H]1[C@@H](C(=O)O)[C@@H](N)CN1C(=O)N(CC)C(C)C ZINC000169322284 EB Annotated Anodyne N[C@@H](CS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O ZINC000169324953 EB Annotated Unstable O=C(O)[C@]1(O)C=C(c2cn(-c3ccccc3O)nn2)[C@@H](O)[C@H](O)C1 ZINC000169329866 EB Annotated Anodyne NCc1ccc(NC(=O)N2C(=O)C[C@@H]2CC(=O)NCC(=O)O)cc1 ZINC000169349963 EB Annotated Anodyne NCc1ccc(NC(=O)N2C(=O)C[C@H]2CC(=O)NCC(=O)O)cc1 ZINC000169349964 EB Annotated Anodyne CCCCCNC(=O)CCNC(=O)[C@H](O)[C@@](C)(CO)CCCO ZINC000169352902 EB Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](CC=C3[C@@H]2[C@@H](O)[C@@H]2O[C@@H]2C32OCCCO2)C1=O ZINC000169355891 EB Annotated Anodyne CCN1C(=O)[C@H]2CC=C3[C@@H]([C@@H]2C1=O)[C@@H](O)[C@@H]1O[C@@H]1C31OCCCO1 ZINC000169355892 EB Annotated Anodyne CCN1C(=O)[C@H]2[C@H]3C(=CC[C@H]2C1=O)C1(OCCCO1)[C@H]1O[C@H]1[C@@H]3O ZINC000169355893 EB Annotated Anodyne CCN1C(=O)[C@H]2CC=C3[C@H]([C@@H]2C1=O)[C@@H](O)[C@@H]1O[C@@H]1C31OCCCO1 ZINC000169355894 EB Annotated Anodyne C[C@H](O)[C@H](/N=C1/C=C(O)/C(=N\[C@@H](C(=O)O)[C@@H](C)O)C=C1O)C(=O)O ZINC000169371615 EB Annotated Mild CC1(C)O[C@@H]2CO[C@@]3(COC(C)(C)O3)[C@H](OS(N)(=O)=O)[C@@H]2O1 ZINC000169373304 EB Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@H](OS(N)(=O)=O)[C@@H]2O1 ZINC000169373305 EB Annotated Anodyne NC1=NC(=O)[C@@H]([C@H]2CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000169391816 EB Annotated Anodyne NC1=NC(=O)[C@H]([C@H]2CCNC(=O)c3[nH]c(Br)cc32)N1 ZINC000169391818 EB Annotated Anodyne CN1C(=O)[C@@]23CC4=CC=C[C@@H](O)[C@@H]4N2C(=O)[C@@]1(CO)SS3 ZINC000169429651 EB Annotated Reactive in-vivo COC(=O)[C@@H](C)[C@@]1(O)C(=O)C=C(C)[C@@H]2CC[C@@]3(O)C(=O)O[C@@H]1[C@@H]3O2 ZINC000169470698 EB Annotated Mild CC1=C(O)C(=O)[C@H]2[C@]3(O)C(=O)C(O)=C(C)[C@]24COC(=O)[C@@]42COC[C@]123 ZINC000169638451 EB Annotated Mild C=C[C@H]1OC(=O)C=C2[C@@]34CO[C@@H]([C@H]5OC(=O)[C@@](C)([C@H]6O[C@H]6C3)[C@H]54)[C@@]21O ZINC000169654958 EB Annotated Mild O=C(O)CNC(=O)Cc1sc(NNc2csc(=O)[nH]2)nc1O ZINC000169686958 EB Annotated Anodyne O=C(N/N=C/C1=CC(=O)C(=O)CC1)N/N=C/C1=CC(=O)C(=O)CC1 ZINC000169688980 EB Annotated Reactive C=c1c(NC(C)=O)c(O)c2nc3n(c2c1O)CCC=3OC(=O)COC ZINC000169691975 EB Annotated Anodyne CC(=O)[C@@H](Nc1cc(O)c(N[C@@H](C(=O)O)[C@@H](C)O)cc1O)C(=O)O ZINC000169717709 EB Annotated Anodyne CC(=O)[C@H](Nc1cc(O)c(N[C@@H](C(=O)O)[C@@H](C)O)cc1O)C(=O)O ZINC000169717710 EB Annotated Anodyne CC(=O)[C@@H](Nc1cc(O)c(N[C@H](C(=O)O)[C@@H](C)O)cc1O)C(=O)O ZINC000169717711 EB Annotated Anodyne CC(=O)[C@H](Nc1cc(O)c(N[C@H](C(=O)O)[C@@H](C)O)cc1O)C(=O)O ZINC000169717712 EB Annotated Anodyne COCOn1c(=O)/c(=C/c2ccc(F)cc2)[nH]/c(=C/C(C)C)c1=O ZINC000169727834 EB Annotated Anodyne COCOn1c(=O)/c(=C/c2cccc(F)c2)[nH]/c(=C/C(C)C)c1=O ZINC000169727835 EB Annotated Anodyne COCOn1c(=O)/c(=C/c2ccccc2F)[nH]/c(=C/C(C)C)c1=O ZINC000169727836 EB Annotated Anodyne COCOn1c(=O)/c(=C/c2ccc(OC)cc2)[nH]/c(=C/C(C)C)c1=O ZINC000169727839 EB Annotated Anodyne O=[P@@](O)(Cc1ccccc1)OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017248763 EB Annotated Anodyne O=[P@@](O)(Cc1ccccc1)OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000017248768 EB Annotated Anodyne O=[P@@](O)(Cc1ccccc1)OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017248771 EB Annotated Anodyne O=[P@@](O)(Cc1ccccc1)OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000017248774 EB Annotated Anodyne O=C(Cn1ncc(N2CCCCC2)cc1=O)NCCN1CCOC1=O ZINC000019939076 EB Annotated Anodyne O=C1N[C@H]([C@@H]2CC[C@@H](Cl)CN2)C(=O)N[C@H]1[C@@H]1CC[C@H](Cl)CN1 ZINC000195180692 EB Annotated Reactive O=C1N[C@H]([C@@H]2CC[C@@H](Cl)CN2)C(=O)N[C@H]1[C@H]1CC[C@H](Cl)CN1 ZINC000195180702 EB Annotated Reactive C[C@H](O)[C@H](/N=C1/C=C(O)/C(=N\[C@H](C(=O)O)[C@@H](C)O)C=C1O)C(=O)O ZINC000195313967 EB Annotated Mild Cc1noc(C)c1S(=O)(=O)Nc1cc(B(O)O)ccc1C(=O)O ZINC000195360560 EB Annotated Reactive COC1(OC)N=C(N)[C@@]2(C#N)[C@@]3(C(=O)N(C(C)C)N=C3C)[C@]12C#N ZINC000195417149 EB Annotated Mild CO[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000197382478 EB Annotated Bother COC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2cn(C)cn2)[C@@H](CO)O1 ZINC000199226069 EB Annotated Anodyne COCCN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC(C)C ZINC000199237964 EB Annotated Anodyne COCCN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC(C)C ZINC000199237978 EB Annotated Anodyne C[C@@H]1O[C@@H]2C[C@]3(OC(=O)[C@@H]2O)[C@H](O)c2cccc(O)c2[C@H](O)[C@@]13O ZINC000199671377 EB Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(CN[C@@H]2CONC2=O)c1O ZINC000002043174 EB Annotated Anodyne in-vivo Cc1ncc(COP(=O)(O)O)c(CN[C@H]2CONC2=O)c1O ZINC000002046990 EB Annotated Anodyne in-vitro CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2cnccn2)C1 ZINC000002492947 EB Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2cnccn2)C1 ZINC000002492949 EB Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)c2cnccn2)C1 ZINC000002492951 EB Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)c2cnccn2)C1 ZINC000002492952 EB Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCCC2)[C@@H]3C1=O ZINC000020213281 EB Annotated Anodyne Cc1nn(CC(=O)NCCCN2CCOCC2)c(=O)c2cccn12 ZINC000020467188 EB Annotated Anodyne COC(=O)[C@@]1(O)C[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O1)[C@H]2O ZINC000200663307 EB Annotated Anodyne O=[n+]1nc(N2CCS(=O)(=O)CC2)n(O)c2cc3c(cc21)CCC3 ZINC000201759642 EB Annotated Anodyne Nc1nc(=O)n([C@@H]2CCCO2)cc1C#CCNS(=O)(=O)C1CC1 ZINC000203353102 EB Annotated Mild Nc1nc(=O)n([C@H]2CCCO2)cc1C#CCNS(=O)(=O)C1CC1 ZINC000203353112 EB Annotated Mild Cn1ncc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1=O ZINC000020599907 EB Annotated Anodyne CN(C)c1cnn(CC(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(=O)c1 ZINC000020774429 EB Annotated Anodyne CN(C)c1cnn(CC(=O)N2CCN(C[C@H]3CCCO3)CC2)c(=O)c1 ZINC000020774432 EB Annotated Anodyne Cn1cc(/C=C/C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cn1 ZINC000020864655 EB Annotated Anodyne COCc1nc(Cn2ncc(N3CCCN(C)CC3)cc2=O)no1 ZINC000020867923 EB Annotated Anodyne C/C(=C/CC[C@@H](C(=O)O)[C@@H]1CN(C[C@H](O)CCO)C(N)=N1)CO ZINC000205089987 EB Annotated Anodyne CO[C@]1(CC(C)C)OC[C@@]2(O)[C@H]3CC[C@](C)(O)[C@@H](O)[C@H]3O[C@]21O ZINC000205377751 EB Annotated Anodyne O=c1cc(CCc2ccc(O)cc2)oc2c1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000205669334 EB Annotated Anodyne COc1ccc(NS(=O)(=O)[C@@H]2CNC(=O)NC2=O)cc1OC ZINC000211866273 EB Annotated Anodyne COc1ccc(NS(=O)(=O)[C@H]2CNC(=O)NC2=O)cc1OC ZINC000211866349 EB Annotated Anodyne C[C@H](OS(C)(=O)=O)[C@](Cc1ccccc1)(OC(N)=O)C(N)=O ZINC000214366170 EB Annotated Mild C[C@@H](OS(C)(=O)=O)[C@](Cc1ccccc1)(OC(N)=O)C(N)=O ZINC000214366227 EB Annotated Mild C[C@@H](OS(C)(=O)=O)[C@@](Cc1ccccc1)(OC(N)=O)C(N)=O ZINC000214366282 EB Annotated Mild CC(=O)OC[C@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](F)C(=O)F ZINC000215785110 EB Annotated Reactive N[C@@H](Cc1cncn1[C@H](c1ccc(O)cc1)[C@H](N)C(=O)O)C(=O)O ZINC000219814159 EB Annotated Anodyne in-vitro O=C(Nc1ccncn1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220094926 EB Annotated Mild O=C(Nc1cnccn1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220100629 EB Annotated Mild O=C(OC1CCNCC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220101992 EB Annotated Mild CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](N=C(N)N)C[C@H](C(=O)OC)[C@@H]1O ZINC000220813256 EB Annotated Mild C[Si](C)(C)CCOCn1c(CC(O)(CO)CO)cc(=O)[nH]c1=O ZINC000221725313 EB Annotated Anodyne CCc1cc(CNC(=O)Cn2ncc(N3CCOCC3)cc2=O)on1 ZINC000023338711 EB Annotated Anodyne CCn1ncc(NC(=O)Cn2ncc(N3CCOCC3)cc2=O)n1 ZINC000023380156 EB Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO ZINC000230084735 EB Annotated Mild in-man CC(=O)O[C@H]1C[C@]2(C)[C@@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO ZINC000230084740 EB Annotated Mild in-man CC(=O)O[C@@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000230084831 EB Annotated Anodyne in-man CC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000230084836 EB Annotated Anodyne in-man CC(=O)O[C@@H]1C[C@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000230084838 EB Annotated Anodyne in-man CC(=O)O[C@H]1C[C@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000230084843 EB Annotated Anodyne in-man Nc1nc(=O)c2ccn([C@@H]3O[C@@H]4CO[P@](=O)(O)O[C@H]4[C@H]3O)c2[nH]1 ZINC000230541702 EB Annotated Anodyne in-vitro C[C@H]1CC[C@H]([C@]2(C)CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O2)C(=O)C1 ZINC000238731374 EB Annotated Anodyne C=C[C@](C)(CC/C=C(/C)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238732223 EB Annotated Mild COC(=O)[C@]1(O)O[C@H]2C[C@]13C(=CC(=O)[C@H]3C)[C@@]1(C)COC(=O)[C@@]21O ZINC000238732401 EB Annotated Mild NC(=O)CC[C@@H](/N=C\C=C1/C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000238732520 EB Annotated Mild O=C(O)/C=C/c1ccc(O[C@@]2(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 ZINC000238732643 EB Annotated Anodyne C=C1C[C@H](C)[C@@](O)([C@@H]2OCO[C@H](C3CC(=O)NC(=O)C3)[C@@H]2O)O1 ZINC000238732854 EB Annotated Mild CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H]1O)[C@H]23 ZINC000238734475 EB Annotated Anodyne NC(=O)CC[C@@H](/N=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000238736168 EB Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(O[C@@H]4[C@H](Cl)[C@]3(C)O)[C@@](C)(O)C[C@H](O)[C@@H]12 ZINC000238736849 EB Annotated Reactive Cc1cccc2oc(=O)cc(O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)c12 ZINC000238737235 EB Annotated Anodyne O=C(O)C1=C/C(=C/C=N\[C@@H](Cc2cnc[nH]2)C(=O)O)C[C@H](C(=O)O)N1 ZINC000238737483 EB Annotated Mild OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/Nc1ccc(Br)cc1 ZINC000238739648 EB Annotated Mild C=C[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1 ZINC000238739717 EB Annotated Mild NC(=O)CC[C@@H](/N=C\C=C1C=C(C(=O)O)NC(C(=O)O)=C1)C(=O)O ZINC000238740981 EB Annotated Mild O=C(O)CC[C@@H](/N=C\C=C1C=C(C(=O)O)NC(C(=O)O)=C1)C(=O)O ZINC000238742582 EB Annotated Mild CS[C@@]1(CO)NC(=O)[C@]2(CC3=CC=C[C@@H](O)[C@@H]3S2)NC1=O ZINC000238743955 EB Annotated Anodyne C[C@@H]1CC[C@@H](C(C)(C)O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000238744379 EB Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)[C@@H](O)C[C@]3(CO)[C@]1(C)[C@]21CO1 ZINC000238744731 EB Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC(=O)CC(C)C ZINC000238746124 EB Annotated Anodyne CO[C@H](C)[C@](O)(C(=O)OC[C@@H]1CCN2CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000238746150 EB Annotated Anodyne C=C[C@@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1 ZINC000238746280 EB Annotated Mild C/C=C(\C)C(=O)OC[C@H]1O[C@@H](OC(=O)CC(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238746849 EB Annotated Anodyne COc1cccc2[nH]cc(C[C@@]3(O)C(=O)O[C@@H]4[C@@H](O)CO[C@@]43O)c12 ZINC000238747134 EB Annotated Anodyne C/C=C/C=C/C(=O)NC[C@@H](O)C[C@H](N)CC(=O)NCCC(=N)N ZINC000238747511 EB Annotated Anodyne O=C(O)[C@H]1O[C@@H](O[C@@H]2c3ccccc3C=C[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238748963 EB Annotated Anodyne COC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H](n2cc(CC(N)=O)c3ccccc32)O1 ZINC000238749726 EB Annotated Anodyne COC(=O)[C@@H]1[C@@H](OC)O[C@H]2O[C@H]3[C@H]([C@H](C)O)C(=O)O[C@]34C=C[C@H]1[C@H]24 ZINC000238749887 EB Annotated Anodyne O=C1N[C@H]([C@H]2CC[C@H](Cl)CN2)C(=O)N[C@H]1[C@@H]1CC[C@@H](Cl)CN1 ZINC000238749982 EB Annotated Reactive C/C=C(\C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238753069 EB Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@@](C)(O)[C@]1(C)O)[C@H]23 ZINC000238753427 EB Annotated Anodyne CC(C)CC(=O)OC[C@H]1O[C@@H](OC(=O)CC(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238753844 EB Annotated Anodyne CO[C@@H]1[CH][CH][CH][C@@H]2[C@@H]3[C@@H]4OCO[C@H]4[CH][C@@H](C(=O)O)[C@H]3C(=O)C(=O)[C@H]12 ZINC000238753927 EB Annotated Clean CC1=C(C(=O)O)C(C)(C)C[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000238754325 EB Annotated Anodyne COCC1=CC[C@]2(C)[C@@H](O)[C@@H]3[C@@H](C)COC(=O)[C@@H]3O[C@]2(O)C1=O ZINC000238757119 EB Annotated Mild C[C@@H]1C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@@](C)(O)[C@]1(C)O)[C@H]23 ZINC000238758893 EB Annotated Anodyne C=C1CO[C@@](O)([C@@H]2OCO[C@H](C3CC(=O)NC(=O)C3)[C@@H]2O)[C@@H]1C ZINC000238761298 EB Annotated Mild CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000238763125 EB Annotated Bother CC(=O)OC[C@]1(OC(C)=O)C=C[C@@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238764097 EB Annotated Anodyne CCC=C=CC(=O)NC[C@@H](O)C[C@H](N)CC(=O)NCCC(=N)N ZINC000238766419 EB Annotated Anodyne O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](Oc2coc(=O)c3ccccc23)C1 ZINC000238766544 EB Annotated Anodyne CO[C@H]1[C@@H]2[C@@H](N[C@@H]3[CH][CH][CH][CH][C@H]23)[C@H]2N[C@H]3[CH][CH][CH][CH][C@@H]3C(=O)N2[C@@H]1O ZINC000238767207 EB Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@H]1C=C(C)[C@@H](O)[C@@H](O)[C@@]12CO ZINC000238768318 EB Annotated Anodyne CO[C@H]1C[C@H](OC)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1O ZINC000238768405 EB Annotated Anodyne CC1=CC(=O)[C@](O)([C@H](C)C(=O)O)[C@@H]2OC(=O)[C@]3(O)CC[C@H]1O[C@@H]23 ZINC000238769645 EB Annotated Mild CC(=O)N[C@@H](CS[C@H](CCO)[C@H](O)CCCCCO)C(=O)O ZINC000238769830 EB Annotated Anodyne C[S@](=O)CCCCC(=N)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238770646 EB Annotated Anodyne O=C(O)[C@H]1O[C@@H](O[C@H]2c3ccccc3C=C[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238774801 EB Annotated Anodyne COC(=O)[C@@H](C)[C@@]1(O)C(=O)C=C(C)[C@H]2CC[C@@]3(O)C(=O)O[C@@H]1[C@@H]3O2 ZINC000238776471 EB Annotated Mild COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)[C@H](O)[C@@H](O)[C@@](C)(O)C3 ZINC000238777222 EB Annotated Mild C=C[C@](C)(CC[C@@H](O)C(=C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238777370 EB Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)CC(C)C ZINC000238777403 EB Annotated Anodyne COc1cc(C(=O)O)cc(OC)c1O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000238777628 EB Annotated Anodyne C/C=C/c1occ(CO)c1C(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238777674 EB Annotated Anodyne O=C(O)CC[C@@H](/N=C/C=C1C=C(C(=O)O)NC(C(=O)O)=C1)C(=O)O ZINC000238779227 EB Annotated Mild NC(=O)CC[C@@H](/N=C/C=C1C=C(C(=O)O)NC(C(=O)O)=C1)C(=O)O ZINC000238779235 EB Annotated Mild O=C(O)CC[C@@H](/N=C/C=C1/C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000238779260 EB Annotated Mild NC(=O)CC[C@@H](/N=C/C=C1/C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000238779781 EB Annotated Mild C=C[C@@]1(C)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1 ZINC000238781051 EB Annotated Mild O=C(O)CC[C@@H](/N=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000238781098 EB Annotated Mild CC[C@@H](C)C(=O)OC[C@H]1O[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238781406 EB Annotated Anodyne O=C(O)[C@H]1O[C@@H](Oc2cccc3oc(=O)ccc23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238784094 EB Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)CC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000238788162 EB Annotated Anodyne COC(=O)/C=C(\C=C\[C@]1(O)[C@]2(C)C[C@H](O)C[C@@]1(C)OC2=O)CO ZINC000238789724 EB Annotated Anodyne C[C@@H]1C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000247979492 EB Annotated Anodyne C[C@@H]1C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000247979493 EB Annotated Anodyne C[C@@H]1C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23 ZINC000247979495 EB Annotated Anodyne C[C@@H]1C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000247979498 EB Annotated Anodyne CN1C(=O)[C@@]23CC4=CC=C[C@@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3 ZINC000248013180 EB Annotated Reactive in-vivo CC(=O)NCCNC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O ZINC000002601722 EB Annotated Anodyne O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000002712771 EB Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCCC2)[C@H]3C1=O ZINC000250464779 EB Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCCC2)[C@H]3C1=O ZINC000250464784 EB Annotated Anodyne CC1(C)O[C@@H]2O[C@@H]([C@H]3COC(C)(C)O3)[C@H](OS(N)(=O)=O)[C@@H]2O1 ZINC000253702096 EB Annotated Anodyne CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@H]2OS(N)(=O)=O)O1 ZINC000253702101 EB Annotated Anodyne C[C@H](O)[C@H](/N=C1/C=C(O)/C(=N\[C@H](C(=O)O)[C@H](C)O)C=C1O)C(=O)O ZINC000253756861 EB Annotated Mild CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000253798405 EB Annotated Bother CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000253798410 EB Annotated Bother C(=NNC1=NCCN1)c1ccc2nc(C=NNC3=NCCN3)cn2c1 ZINC000253804979 EB Annotated Mild Cn1c(N)c(N=Nc2ccc(S(N)(=O)=O)cc2)c(=O)n(C)c1=O ZINC000253966629 EB Annotated Clean CO[C@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@@H]1[C@@H]2N1C ZINC000253982996 EB Annotated Mild CO[C@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000253983001 EB Annotated Mild CO[C@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@H]1[C@H]2N1C ZINC000253983003 EB Annotated Mild CCN1C(=O)[C@@H]2[C@@H](CC=C3[C@@H]2[C@H](O)[C@@H]2O[C@@H]2C32OCCCO2)C1=O ZINC000254046488 EB Annotated Anodyne CCN1C(=O)[C@@H]2CC=C3[C@H]([C@H](O)[C@@H]4O[C@@H]4C34OCCCO4)[C@H]2C1=O ZINC000254046492 EB Annotated Anodyne CCN1C(=O)[C@@H]2CC=C3[C@H]([C@H](O)[C@@H]4O[C@H]4C34OCCCO4)[C@H]2C1=O ZINC000254046496 EB Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](CC=C3[C@@H]2[C@H](O)[C@@H]2O[C@H]2C32OCCCO2)C1=O ZINC000254046500 EB Annotated Anodyne O=[P@](O)(Cc1ccccc1)OC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O ZINC000254135632 EB Annotated Anodyne O=[P@](O)(Cc1ccccc1)OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O ZINC000254135635 EB Annotated Anodyne O=[P@](O)(Cc1ccccc1)OC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O ZINC000254135637 EB Annotated Anodyne CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@@]1(C)[C@H]1C(=O)NC(=O)[C@H]21 ZINC000254141799 EB Annotated Anodyne CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)NC(=O)[C@@H]21 ZINC000254142508 EB Annotated Anodyne CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)NC(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)NC(=O)[C@H]21 ZINC000254142511 EB Annotated Anodyne COC1(OC)N=C(N)[C@]2(C#N)[C@]3(C(=O)N(C(C)C)N=C3C)[C@]12C#N ZINC000254156542 EB Annotated Mild C[C@@H]1O[C@H](O[C@@H]2OC=C(C=O)[C@@]3(O)CC[C@H](C)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O ZINC000254224494 EB Annotated Reactive C[C@@H]1O[C@H](O[C@@H]2OC=C(C=O)[C@@]3(O)CC[C@H](C)[C@@H]23)[C@H](O)[C@@H](O)[C@H]1O ZINC000254224495 EB Annotated Reactive C[C@@H]1O[C@H](O[C@@H]2OC=C(C=O)[C@@]3(O)CC[C@H](C)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000254224496 EB Annotated Reactive C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@@]2(O)[C@@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000255204371 EB Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)[C@H](O)[C@H](O)C[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2 ZINC000255220554 EB Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)[C@@H](O)[C@H](O)C[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2 ZINC000255220555 EB Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2O[C@@H]3C=C(C)[C@H](O)C[C@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000257399593 EB Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2O[C@@H]3C=C(C)[C@H](O)C[C@@]3(CO)[C@@]1(C)[C@@]21CO1 ZINC000257399594 EB Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2O[C@@H]3C=C(C)[C@H](O)C[C@@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000257399595 EB Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)[C@H]2O[C@@H]3C=C(C)[C@H](O)C[C@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000257399596 EB Annotated Anodyne CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@H](O)[C@@]2(C)[C@]12CO2 ZINC000257413175 EB Annotated Anodyne CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000257413176 EB Annotated Anodyne CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000257413177 EB Annotated Anodyne CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@H](O)[C@@]2(C)[C@@]12CO2 ZINC000257413178 EB Annotated Anodyne C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCC)C(=O)[C@@H]1O[C@H]1CO ZINC000257430892 EB Annotated Anodyne C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCC)C(=O)[C@H]1O[C@@H]1CO ZINC000257430893 EB Annotated Anodyne CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1[C@H](O)C[C@@]2(C)[C@]12CO2 ZINC000257442620 EB Annotated Mild in-man biogenic CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1[C@H](O)C[C@@]2(C)[C@@]12CO2 ZINC000257442621 EB Annotated Mild in-man biogenic CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@@]2(C)[C@]12CO2 ZINC000257442622 EB Annotated Mild in-man biogenic CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@@]2(C)[C@@]12CO2 ZINC000257442623 EB Annotated Mild in-man biogenic CC(=O)O[C@@H]1C[C@]2(CO)[C@H](C=C1C)O[C@H]1[C@H](O)[C@H](O)[C@@]2(C)[C@@]12CO2 ZINC000257452639 EB Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(CO)[C@H](C=C1C)O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000257452640 EB Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(CO)[C@H](C=C1C)O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000257452641 EB Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(CO)[C@H](C=C1C)O[C@H]1[C@H](O)[C@H](O)[C@@]2(C)[C@]12CO2 ZINC000257452642 EB Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498240 EB Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498241 EB Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@H]1C[C@@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498242 EB Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498243 EB Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](C)C[S@@](=O)CCl ZINC000026154765 EB Annotated Reactive Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](C)C[S@](=O)CCl ZINC000026154772 EB Annotated Reactive Nc1nc(=O)n(CCOCP(=O)(O)O)cc1Br ZINC000026181613 EB Annotated Anodyne CC1(C)O[C@H]2O[C@H](C/N=C(\N)NC(=N)N)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000026190146 EB Annotated Mild CC1(C)O[C@H]2O[C@@H](C/N=C(\N)NC(=N)N)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 ZINC000026190156 EB Annotated Mild CC1(C)O[C@H]2[C@H](C/N=C(\N)NC(=N)N)O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000026190159 EB Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC[C@@H](N)C(=O)O)S[C@H]12 ZINC000026265980 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC[C@@H](N)C(=O)O)S[C@H]12 ZINC000026269020 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC[C@H](N)C(=O)O)S[C@H]12 ZINC000026269072 EB Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COS(N)(=O)=O ZINC000026282417 EB Annotated Anodyne C[C@H]1C(C[n+]2ccc(C(N)=O)cc2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026282471 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC[C@H](N)C(=O)O)S[C@H]12 ZINC000026283568 EB Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(N)(=O)=O)O1 ZINC000026288154 EB Annotated Anodyne CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(N)(=O)=O)O1 ZINC000026288160 EB Annotated Anodyne C[C@H]1C(C[n+]2cccc(C(N)=O)c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026290361 EB Annotated Anodyne O=C(O)CCNC(=O)[C@@H]1CCCN(C(=O)NCC2CCNCC2)C1 ZINC000026402595 EB Annotated Anodyne O=C(O)CCNC(=O)[C@H]1CCCN(C(=O)NCC2CCNCC2)C1 ZINC000026402599 EB Annotated Anodyne CC(C)CCCNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O ZINC000026487701 EB Annotated Reactive CCOC(=O)c1cccc(N2C[C@H]3CNC(=O)[C@@]2(C(=O)OC)N3C)c1 ZINC000263591702 EB Annotated Anodyne O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCCCO ZINC000263592109 EB Annotated Bother O=C(O)[C@@H]1CS[C@H]([C@H]2C[C@@H]3CCSCN3N2)[C@@H](CO)CN1 ZINC000263620295 EB Annotated Anodyne CNC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCc1ccc(F)cc1 ZINC000263620578 EB Annotated Anodyne O=C(O)C1=C/C(=C/C=N/[C@H](CCCO)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000263638129 EB Annotated Mild O=C(O)C1=C/C(=C/C=N/[C@H](CCCO)C(=O)O)C[C@H](C(=O)O)N1 ZINC000263638130 EB Annotated Mild COCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC)[C@H]2S(=O)(=O)C1 ZINC000026569301 EB Annotated Anodyne COCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC)[C@@H]2S(=O)(=O)C1 ZINC000026569304 EB Annotated Anodyne CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NC[P@](C)(=O)O ZINC000026577042 EB Annotated Anodyne CC(=O)N/C=C\[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 ZINC000026663950 EB Annotated Anodyne CC(=O)N/C=C\[S@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 ZINC000026663955 EB Annotated Anodyne C[C@@H](O)[C@H](/N=C1/C=C(O)/C(=N\[C@@H](C(=O)O)[C@@H](C)O)C=C1O)C(=O)O ZINC000026737706 EB Annotated Mild C[C@H](O)[C@@H](/N=C1/C=C(O)/C(=N\[C@H](C(=O)O)[C@@H](C)O)C=C1O)C(=O)O ZINC000026737711 EB Annotated Mild C[C@@H](O)[C@H](/N=C1/C=C(O)/C(=N\[C@H](C(=O)O)[C@@H](C)O)C=C1O)C(=O)O ZINC000026737717 EB Annotated Mild CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1O ZINC000026744227 EB Annotated Anodyne CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@@H]1O ZINC000026744232 EB Annotated Anodyne Cc1nc2c(nc1C)N(CCN1CCOCC1)S(=O)(=O)N=C2N ZINC000026820198 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@H](CN)C3)[C@H](C)[C@H]12 ZINC000026833408 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CO[C@H](CN)C3)[C@H](C)[C@H]12 ZINC000026833411 EB Annotated Anodyne O=c1[nH]c(NCCCCO)c(I)c(=O)[nH]1 ZINC000026834580 EB Annotated Anodyne COC(=O)C(C(=O)OC)=C1NC(=O)N([C@@H]2C=C[C@H](CO)O2)C=C1C ZINC000026938604 EB Annotated Anodyne COC(=O)C(C(=O)OC)=C1NC(=O)N([C@@H]2C=C[C@@H](CO)O2)C=C1C ZINC000026938614 EB Annotated Anodyne CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(CCO)CCO ZINC000026959687 EB Annotated Bother O=C(c1cc(N(CCO)CCO)ccc1[N+](=O)[O-])N1CCOCC1 ZINC000026966243 EB Annotated Bother CCC[S@@](=O)C[C@@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026986278 EB Annotated Anodyne CCC[S@](=O)C[C@@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026986287 EB Annotated Anodyne CCC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026986294 EB Annotated Anodyne CCC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026986301 EB Annotated Anodyne NCCC[P@](=O)(O)C[C@@H](O)CNC(=O)c1ccccc1C(N)=O ZINC000026990515 EB Annotated Anodyne NCCC[P@](=O)(O)C[C@H](O)CNC(=O)c1ccccc1C(N)=O ZINC000026990527 EB Annotated Anodyne O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1cnc2nc[nH]c(=O)c21 ZINC000027196262 EB Annotated Anodyne O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1cnc2nc[nH]c(=O)c21 ZINC000027196268 EB Annotated Anodyne C/N=C(/NC#N)NCCCCn1nc(N2CCN(C)CC2)ccc1=O ZINC000027213405 EB Annotated Mild C/N=C(/NC#N)NCCCCn1nc(N2CCOCC2)ccc1=O ZINC000027213592 EB Annotated Mild N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O)c1ccc(O)cc1 ZINC000027323669 EB Annotated Anodyne CN(C)CCn1cc(NC(=O)c2nc(NC=O)cn2C)nc1C(N)=O ZINC000027327725 EB Annotated Anodyne NS(=O)(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)=CC(=O)C(=O)C=3 ZINC000027328989 EB Annotated Clean CC(C)(C)[C@]1(O)C[C@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@@]231 ZINC000027332238 EB Annotated Anodyne CC(C)(C)[C@]1(O)C[C@H]2OC(=O)C[C@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@@]231 ZINC000027332245 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)CC(=O)N(C)C)S[C@H]12 ZINC000027418923 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)[C@H](C)C(N)=O)S[C@H]12 ZINC000027418927 EB Annotated Anodyne C[C@@H](C(N)=O)N(C)CC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2S1 ZINC000027418932 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CCC[C@H]3C(=O)O)S[C@H]12 ZINC000027421922 EB Annotated Anodyne NC1=NC(=O)[C@@H]2[C@@H](N=CN2COCCOCc2ccccc2)C(=O)N1 ZINC000027423953 EB Annotated Anodyne NC1=NC(=O)[C@@H]2[C@H](N=CN2COCCOCc2ccccc2)C(=O)N1 ZINC000027423962 EB Annotated Anodyne NC1=NC(=O)[C@H]2[C@H](N=CN2COCCOCc2ccccc2)C(=O)N1 ZINC000027423966 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CCC[C@@H]3C(N)=O)S[C@H]12 ZINC000027427380 EB Annotated Anodyne C(=N\NC1=NCCN1)\c1cn2cc(/C=N/N=C3NCCN3)ccc2n1 ZINC000027433163 EB Annotated Mild C(=N/N=C1NCCN1)\c1ccc2nc(/C=N/NC3=NCCN3)cn2c1 ZINC000027433173 EB Annotated Mild C#C[C@]1(CO)O[C@@H](n2cc(Br)c(N)nc2=O)C[C@H]1O ZINC000027520594 EB Annotated Mild COC1=CC(=O)c2ncnc(OCCOCCOCCO)c2C1=O ZINC000027521605 EB Annotated Mild O=C(O)CCNC(=O)c1cc2n(n1)CCN(CC1CCNCC1)C2=O ZINC000027549059 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)CC(=O)N(C)C)S[C@@H]12 ZINC000027630053 EB Annotated Anodyne CC(=O)c1cc(S(N)(=O)=O)cc(C(=O)Nc2nnn[nH]2)c1O ZINC000027631694 EB Annotated Anodyne COC(=O)[C@@H](CNC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCC1 ZINC000027641456 EB Annotated Anodyne COC(=O)[C@H](CNC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCC1 ZINC000027641462 EB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCC(C)CC1 ZINC000027649580 EB Annotated Anodyne COc1nc(I)nc2c1ncn2OCCO ZINC000027650230 EB Annotated Anodyne COC(=O)[C@@H](CNC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCCC1 ZINC000027651107 EB Annotated Anodyne COC(=O)[C@H](CNC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCCC1 ZINC000027651110 EB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)OC1CCCCC1 ZINC000027653342 EB Annotated Anodyne COC(=O)[C@@H](CC(=O)OC1CCCCC1)NC(=O)[C@H](N)CC(=O)O ZINC000027655977 EB Annotated Anodyne N#Cc1cc(NC(=O)c2nnn[nH]2)cc(NC(=O)c2nnn[nH]2)c1 ZINC000027848273 EB Annotated Mild O=C(Nc1cc(Cl)cc(NC(=O)c2nnn[nH]2)n1)c1nnn[nH]1 ZINC000027850192 EB Annotated Anodyne CN1CCN(c2cccc(NC(=O)c3nnn[nH]3)c2C(N)=O)CC1 ZINC000027851228 EB Annotated Anodyne CCOC(=O)C(=O)Nc1cc(C#N)cc(NC(=O)c2nnn[nH]2)c1 ZINC000027862825 EB Annotated Mild C=CCNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O ZINC000027886109 EB Annotated Reactive NCCNc1ccc(NCCN)c2c1C(=O)c1cc[n+]([O-])cc1C2=O ZINC000027987440 EB Annotated Clean CC1(C)O[C@@H]2[C@H](OS(N)(=O)=O)[C@]3(COC(C)(C)O3)OC[C@H]2O1 ZINC000027993630 EB Annotated Anodyne CC1(C)O[C@@H]2[C@H](OS(N)(=O)=O)[C@@]3(COC(C)(C)O3)OC[C@H]2O1 ZINC000027993636 EB Annotated Anodyne CC1(C)O[C@@H]2CO[C@@]3(COC(C)(C)O3)[C@@H](OS(N)(=O)=O)[C@@H]2O1 ZINC000027993641 EB Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@@H](OS(N)(=O)=O)[C@@H]2O1 ZINC000027993646 EB Annotated Anodyne CC1(C)O[C@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]23)O1 ZINC000028000497 EB Annotated Anodyne CO[C@H]1c2c(COC(N)=O)c3c(n2C[C@H]1N)C(=O)C(C)=C(N)C3=O ZINC000028107137 EB Annotated Mild CO[C@@H]1c2c(COC(N)=O)c3c(n2C[C@H]1N)C(=O)C(C)=C(N)C3=O ZINC000028107142 EB Annotated Mild CCCCNS(=O)(=O)n1nc(C(N)=O)c2c1-c1c[nH]nc1CC2 ZINC000028131919 EB Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=COC[C@H]12)c1ccc(O)cc1 ZINC000028223165 EB Annotated Anodyne NC(=O)C[C@@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl ZINC000028234969 EB Annotated Reactive NC(=O)C[C@H](NC(=O)N(CCCl)N=O)C(=O)NCCCl ZINC000028234974 EB Annotated Reactive Nc1nn2c(O)cc(CN3CCN(CCO)CC3)nc2c1[N+](=O)[O-] ZINC000028333295 EB Annotated Bother C/C=C/c1occ(CO)c1C(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O ZINC000028536257 EB Annotated Anodyne N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](O)C[C@@H]1c1ccc2[nH]c(N)nc2c1 ZINC000028571798 EB Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)[C@H](CO)NC1=O ZINC000028636531 EB Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)[C@H](CO)NC1=O ZINC000028636721 EB Annotated Mild CN(C)c1nc(NCCO)nc2c(N(C)C)nc(NCCO)nc12 ZINC000028710628 EB Annotated Anodyne CO[C@@H]1CO[C@@]2(COS(N)(=O)=O)OC(C)(C)O[C@H]2[C@@H]1OC ZINC000028766014 EB Annotated Anodyne CN(CCOCn1cc[n+](C)c1/C=N/O)S(=O)(=O)C(F)(F)F ZINC000028770175 EB Annotated Mild O=C(NCCN1CCOCC1)NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O ZINC000028820229 EB Annotated Anodyne O=C(NCCN1CCOCC1)NC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 ZINC000028820231 EB Annotated Anodyne O=C(NCCN1CCOCC1)NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O ZINC000028820233 EB Annotated Anodyne O=C(NCCN1CCOCC1)NC(=O)[C@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 ZINC000028820235 EB Annotated Anodyne NC(=O)[C@]12CCCN1C(=O)[C@@]1(CCCN1C(=O)[C@@H]1CCCN1)CC2 ZINC000028864283 EB Annotated Anodyne N[C@H]1CCN(c2cc3c(cc2F)c(=O)n(N)c(=O)n3CC2CC2)C1 ZINC000028884323 EB Annotated Anodyne CC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@]2(CNC(=O)OC(C)(C)C)S1 ZINC000029043240 EB Annotated Anodyne C[C@H](Cn1cnc2c(N=C(N)N)ncnc21)OCP(=O)(O)O ZINC000029123090 EB Annotated Mild C[C@@H](Cn1cnc2ncnc(N=C(N)N)c21)OCP(=O)(O)O ZINC000029123596 EB Annotated Mild C[C@@H](Cn1cnc2nc(N=C(N)N)ncc21)OCP(=O)(O)O ZINC000029123600 EB Annotated Mild C[C@H](Cn1cnc2ncnc(N=C(N)N)c21)OCP(=O)(O)O ZINC000029123649 EB Annotated Mild C[C@H](Cn1cnc2nc(N=C(N)N)ncc21)OCP(=O)(O)O ZINC000029123653 EB Annotated Mild C[C@@H](Cn1cnc2cnc(N=C(N)N)nc21)OCP(=O)(O)O ZINC000029123717 EB Annotated Mild C[C@@H](Cn1cnc2c(N=C(N)N)ncnc21)OCP(=O)(O)O ZINC000029123773 EB Annotated Mild C[C@H](Cn1cnc2cnc(N=C(N)N)nc21)OCP(=O)(O)O ZINC000029123779 EB Annotated Mild CC(=O)O[C@H]1[C@@H](N=[N+]=[N-])CO[C@H](OP(=O)(O)O)[C@@H]1OC(C)=O ZINC000029128956 EB Annotated Clean CO[C@@H](CNC(=O)N(CCCl)N=O)n1c(=O)[nH]cc(F)c1=O ZINC000029212929 EB Annotated Reactive CO[C@H](CNC(=O)N(CCCl)N=O)n1c(=O)[nH]cc(F)c1=O ZINC000029212934 EB Annotated Reactive CO[C@@H](CNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029215188 EB Annotated Reactive CO[C@H](CNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029215193 EB Annotated Reactive CO[C@H]1c2c(COC(N)=O)c3c(n2C[C@@H]1N)C(=O)C(C)=C(N)C3=O ZINC000029249559 EB Annotated Mild CO[C@@H]1c2c(COC(N)=O)c3c(n2C[C@@H]1N)C(=O)C(C)=C(N)C3=O ZINC000029249566 EB Annotated Mild COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)CCCCC1 ZINC000029319930 EB Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@@H]1CO[C@@H](CC2=CC(=O)OC2)[C@H](O)[C@@H]1O ZINC000029345492 EB Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC2=CC(=O)OC2)[C@H](O)[C@@H]1O ZINC000029345496 EB Annotated Anodyne CC(=O)Nc1nc(N[C@@H](CO)[C@@H](O)CO)c(Cl)nc1[N+](=O)[O-] ZINC000029390860 EB Annotated Bother CC(=O)Nc1nc(N[C@H](CO)[C@@H](O)CO)c(Cl)nc1[N+](=O)[O-] ZINC000029390863 EB Annotated Bother CC(=O)Nc1nc(N[C@@H](CO)[C@H](O)CO)c(Cl)nc1[N+](=O)[O-] ZINC000029390866 EB Annotated Bother CC(=O)Nc1nc(N[C@H](CO)[C@H](O)CO)c(Cl)nc1[N+](=O)[O-] ZINC000029390869 EB Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@@H](CN)C3)[C@H](C)[C@@H]12 ZINC000029395752 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CO[C@@H](CN)C3)[C@H](C)[C@@H]12 ZINC000029395754 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3COC[C@H]3CN)[C@H](C)[C@@H]12 ZINC000029398643 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3COC[C@H]3CN)[C@H](C)[C@H]12 ZINC000029398646 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CCO[C@@H]3CN)[C@H](C)[C@@H]12 ZINC000029398649 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CCO[C@@H]3CN)[C@H](C)[C@H]12 ZINC000029398652 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CCO[C@H]3CN)[C@H](C)[C@@H]12 ZINC000029399857 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CCO[C@H]3CN)[C@H](C)[C@H]12 ZINC000029399859 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@H](CN)C3)[C@H](C)[C@@H]12 ZINC000029400450 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3COC[C@@H]3CN)[C@H](C)[C@@H]12 ZINC000029401401 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3COC[C@@H]3CN)[C@H](C)[C@H]12 ZINC000029401405 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CO[C@H](CN)C3)[C@H](C)[C@@H]12 ZINC000029404283 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3COC[C@@H]3CN)[C@H](C)[C@@H]12 ZINC000029405204 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3COC[C@@H]3CN)[C@H](C)[C@H]12 ZINC000029405207 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3COC[C@H]3CN)[C@H](C)[C@@H]12 ZINC000029407252 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3COC[C@H]3CN)[C@H](C)[C@H]12 ZINC000029407255 EB Annotated Anodyne COCc1ncc2n1[C@H](NCCN(C)C)NN=C2NCCN(C)C ZINC000029410969 EB Annotated Anodyne COCc1ncc2n1[C@@H](NCCN(C)C)NN=C2NCCN(C)C ZINC000029410972 EB Annotated Anodyne Nc1nc(=O)n([C@@H]2CO[C@@H](CO)O2)cc1I ZINC000029462018 EB Annotated Anodyne NCCCCN(CC#CCN(CCCN)CCCCN)CCCN ZINC000029462239 EB Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3[C@@H](C)O[C@@H]3CN)[C@H](C)[C@@H]12 ZINC000029481179 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3[C@@H](C)O[C@@H]3CN)[C@H](C)[C@H]12 ZINC000029481181 EB Annotated Anodyne CC[C@@H](C)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029554869 EB Annotated Mild CC[C@H](C)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029554873 EB Annotated Mild CCCN(C)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029562756 EB Annotated Mild CCCN(C)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029562760 EB Annotated Mild OC[C@H]1N/C(=N\Cc2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000299821259 EB Annotated Mild N#Cc1c(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)no[n+]1[O-] ZINC000299826849 EB Annotated Mild N#Cc1c(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)no[n+]1[O-] ZINC000299826855 EB Annotated Mild CCS(=O)(=O)N1C[C@H]2OCCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000299841669 EB Annotated Anodyne CN1CCN(C(=O)[C@H]2C[C@H]3CN(c4ncc(F)cn4)C[C@@H]3N2C)CC1 ZINC000299843100 EB Annotated Anodyne CCCCCCCCC/N=C1/N[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]2O1 ZINC000299844816 EB Annotated Mild CCCCCCCCC/N=C1/N[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O1 ZINC000299844817 EB Annotated Mild CCCCCCCCC/N=C1/N[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]2O1 ZINC000299844818 EB Annotated Mild CCCCCCCCCN=C1N[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]2N1 ZINC000299844832 EB Annotated Mild CCCCCCCCCN=C1N[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]2N1 ZINC000299844833 EB Annotated Mild COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1CCC[C@H](C)C1 ZINC000299844961 EB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000299844962 EB Annotated Anodyne CCN1C(=N)C2=C3CCCN3[C@](O)(N3CCOCC3)[C@H]2NC1=S ZINC000299846093 EB Annotated Anodyne CCN1C(=N)C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@H]2NC1=S ZINC000299846094 EB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1CCCC[C@H]1C ZINC000299846459 EB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1CCCC[C@H]1C ZINC000299846461 EB Annotated Anodyne CC(=O)C1=C(N)C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@H]2N=C1C ZINC000299848027 EB Annotated Mild Cc1cncc(CN2CC[C@@](O)(CNC(=O)c3c[nH]cn3)[C@H](O)C2)c1 ZINC000299850367 EB Annotated Anodyne CNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN(S(C)(=O)=O)C1 ZINC000299850754 EB Annotated Anodyne CNC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN(S(C)(=O)=O)C1 ZINC000299850755 EB Annotated Anodyne CNC(=O)[C@H]1CN(C(=O)c2cccs2)CCN(S(C)(=O)=O)C1 ZINC000299850765 EB Annotated Anodyne CNC(=O)[C@@H]1CN(C(=O)c2cccs2)CCN(S(C)(=O)=O)C1 ZINC000299850766 EB Annotated Anodyne O=S(=O)(c1cn[nH]c1)N1CCC[C@@](O)(CN2CCOCC2)CC1 ZINC000299850794 EB Annotated Anodyne O=S(=O)(c1cn[nH]c1)N1CCC[C@](O)(CN2CCOCC2)CC1 ZINC000299850795 EB Annotated Anodyne CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)OCC)CC2 ZINC000299850941 EB Annotated Anodyne O=C(NC[C@]1(O)CN(Cc2ncccc2F)C[C@H]1O)c1cc[nH]n1 ZINC000299851040 EB Annotated Anodyne CNC(=O)[C@@H]1CN(C(=O)c2ccncc2)CCN(S(C)(=O)=O)C1 ZINC000299851056 EB Annotated Anodyne CNC(=O)[C@H]1CN(C(=O)c2ccncc2)CCN(S(C)(=O)=O)C1 ZINC000299851057 EB Annotated Anodyne CNc1cccc([C@H]2CN(C(=O)CNS(C)(=O)=O)CCO2)n1 ZINC000299851134 EB Annotated Anodyne CNc1cccc([C@@H]2CN(C(=O)CNS(C)(=O)=O)CCO2)n1 ZINC000299851135 EB Annotated Anodyne CN(C)C(=O)[C@@H]1CN(Cc2cscn2)CCN(S(C)(=O)=O)C1 ZINC000299852073 EB Annotated Anodyne CN(C)C(=O)[C@H]1CN(Cc2cscn2)CCN(S(C)(=O)=O)C1 ZINC000299852074 EB Annotated Anodyne O=C(/C=C/COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)NO ZINC000299852182 EB Annotated Bother CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(S(=O)(=O)CC)CC2 ZINC000299852612 EB Annotated Anodyne CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C(=O)O)C[C@H]1NC(=N)N ZINC000299870424 EB Annotated Anodyne OC[C@H](O)[C@@H]1O[C@@H](Nc2ccc(Br)cc2)[C@@H](O)[C@@H]1O ZINC000003088016 EB Annotated Anodyne O=C(N/N=C/c1ccco1)[C@@H](O)[C@H](O)C(=O)N/N=C/c1ccco1 ZINC000003187383 EB Annotated Reactive Cn1c(=O)c2nc(NNC(=O)c3ccccc3)cnc2n(C)c1=O ZINC000003190320 EB Annotated Reactive COc1ccccc1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O ZINC000003361544 EB Annotated Anodyne O=C(O)C1=C/C(=C\C=N\[C@@H](CCCO)C(=O)O)C[C@H](C(=O)O)N1 ZINC000030726415 EB Annotated Mild in-man O=C(O)C[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000030726452 EB Annotated Mild in-vitro biogenic N[C@@H](CC1=C/[N+](=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)C=N1)C(=O)O ZINC000030726489 EB Annotated Anodyne in-vitro NC(=O)CC[C@H](/N=C/C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000030726513 EB Annotated Mild in-man endogenous O=C(O)CC[C@H](/N=C/C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000030726518 EB Annotated Mild in-man endogenous C=C(O[C@H]1C=C[C@H](C(=O)CCC(=O)O)[C@@H](C(=O)O)[C@@H]1O)C(=O)O ZINC000030731045 EB Annotated Anodyne in-vitro metabolite CC(=O)OC[C@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](F)C(=O)F ZINC000306146350 EB Annotated Reactive CC(=O)OC[C@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](F)C(=O)F ZINC000306146351 EB Annotated Reactive CC(=O)OC[C@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](F)C(=O)F ZINC000306146352 EB Annotated Reactive C[C@@H]1O[C@@H](O[C@@H]2OC=C(C=O)[C@@]3(O)CC[C@H](C)[C@@H]23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000031772214 EB Annotated Reactive C[C@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]12 ZINC000031772216 EB Annotated Reactive C[C@@H]1O[C@H](O[C@@H]2OC=C(C=O)[C@@]3(O)CC[C@H](C)[C@@H]23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000031772217 EB Annotated Reactive C[C@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]12 ZINC000031772219 EB Annotated Reactive CCN(C[C@@H](O)COc1ccc2c(c1)[n+](=O)nc(N)n2O)C(C)=O ZINC000031819473 EB Annotated Anodyne CCN(C[C@H](O)COc1ccc2c(c1)[n+](=O)nc(N)n2O)C(C)=O ZINC000031819477 EB Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](n2c(C#N)cc(=O)[nH]c2=O)C[C@@H]1OC(C)=O ZINC000031870775 EB Annotated Mild C#CCn1c(=O)c(C)cn(/C(=C/C(=O)OCC)C(=O)OCC)c1=O ZINC000031896632 EB Annotated Mild COC1(OC)N=C(N)[C@]2(C#N)[C@@]3(C(=O)N(C(C)C)N=C3C)[C@]12C#N ZINC000031900583 EB Annotated Mild C=C(CCC[C@H](C)CO)[C@H]1CO[C@@H]2O[C@H](CO)[C@@H](O)C(=O)[C@]12O ZINC000032089297 EB Annotated Mild C=C(CCC[C@H](C)CO)[C@H]1CO[C@@H]2O[C@H](CO)[C@@H](O)C(=O)[C@@]12O ZINC000032089305 EB Annotated Mild in-vitro biogenic COC(=O)[C@@]1(O)O[C@@H]2C[C@@]13C(=CC(=O)[C@@H]3C)[C@]1(C)COC(=O)[C@]21O ZINC000032296353 EB Annotated Mild C=C(O)C(=O)O[C@H]1[C@H](O)[C@@H](O[P@](C)(=O)O)C=C(C(=O)O)[C@H]1F ZINC000032304011 EB Annotated Anodyne in-vitro CN(C)Cc1c(C(=O)N/N=C\c2ccoc2)nnn1-c1nonc1N ZINC000033370274 EB Annotated Reactive CC(=O)C[C@H]1[C@]2([N+](=O)[O-])CN(CCO)C[C@@]1([N+](=O)[O-])C=CC2=O ZINC000033716443 EB Annotated Mild CC(=O)C[C@@H]1[C@]2([N+](=O)[O-])CN(CCO)C[C@@]1([N+](=O)[O-])C=CC2=O ZINC000033716444 EB Annotated Mild C[C@@H]1CC[C@H]([C@]2(C)CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O2)C(=O)C1 ZINC000033800223 EB Annotated Anodyne in-vitro C[C@H]1CC[C@H]([C@]2(C)CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O2)C(=O)C1 ZINC000033800224 EB Annotated Anodyne in-vitro C[C@@H]1CC[C@@H]([C@]2(C)CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O2)C(=O)C1 ZINC000033800225 EB Annotated Anodyne in-vitro C[C@H]1CC[C@@H]([C@]2(C)CO[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O2)C(=O)C1 ZINC000033800226 EB Annotated Anodyne in-vitro CC[C@H](C)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000033818913 EB Annotated Mild CC[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000033818915 EB Annotated Mild NC(=O)CC[C@@H](/N=C/C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000033829851 EB Annotated Mild in-man endogenous NC(=O)CC[C@@H](/N=C/C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000033829852 EB Annotated Mild in-man endogenous O=C(O)CC[C@@H](/N=C/C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000033829853 EB Annotated Mild in-man endogenous O=C(O)CC[C@@H](/N=C/C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000033829854 EB Annotated Mild in-man endogenous O=c1cc(CCc2ccccc2O)oc2c1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000033833981 EB Annotated Anodyne in-vitro biogenic C=C1CO[C@](O)([C@H]2OCO[C@@H](C3CC(=O)NC(=O)C3)[C@@H]2O)[C@H]1C ZINC000034032784 EB Annotated Mild C=C1CO[C@](O)([C@H]2OCO[C@H](C3CC(=O)NC(=O)C3)[C@@H]2O)[C@H]1C ZINC000034032785 EB Annotated Mild C=C[C@@](C)(CC/C=C(\C)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034093755 EB Annotated Mild CC(=O)OC[C@@]12C[C@H](O)C(C)=C[C@H]1O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)[C@]12CO2 ZINC000034233772 EB Annotated Anodyne in-man CC(=O)OC[C@@]12C[C@H](O)C(C)=C[C@@H]1O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)[C@]12CO2 ZINC000034233773 EB Annotated Anodyne in-man CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)[C@]12CO2 ZINC000034233774 EB Annotated Anodyne in-man CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@@H]1O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)[C@]12CO2 ZINC000034233775 EB Annotated Anodyne in-man C/C=C1/C2=CCCN3C(=O)O[C@H]([C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]23 ZINC000034429945 EB Annotated Anodyne C=C[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CCC(C)(C)O1 ZINC000034468301 EB Annotated Mild CC1(C)O[C@]2(C)CC[C@H]1C[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034533892 EB Annotated Anodyne OC[C@H]1O[C@]2(ON=C(c3ccc(F)cc3)S2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000034646296 EB Annotated Anodyne O=C1N[C@H]2O[C@H](CNC(=O)c3cc(Br)c[nH]3)C[C@@]2(O)N1 ZINC000034649541 EB Annotated Anodyne COC(=O)[C@]1(O)O[C@@H]2C[C@@]13C(=CC(=O)[C@@H]3C)[C@]1(C)COC(=O)[C@]21O ZINC000034659016 EB Annotated Mild in-vitro biogenic COCc1c(C(=O)N/N=C\c2ccncc2)nnn1-c1nonc1N ZINC000034836078 EB Annotated Reactive O=c1nc(/N=C/N2CCOCC2)ccn1[C@H]1CS[C@@H](CO)O1 ZINC000003611214 EB Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CCC[C@H]3C(N)=O)S[C@H]12 ZINC000003805103 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)CCC(N)=O)S[C@H]12 ZINC000003805112 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CCO[C@@H]3CN)[C@H](C)[C@H]12 ZINC000003808350 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CO[C@@H](CN)C3)[C@H](C)[C@H]12 ZINC000003808351 EB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@@H](CN)C3)[C@H](C)[C@H]12 ZINC000003808352 EB Annotated Anodyne CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000003831557 EB Annotated Anodyne in-vitro CC1(C)O[C@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000003831558 EB Annotated Anodyne in-vitro CC1(C)O[C@H]2CO[C@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000003831560 EB Annotated Anodyne in-vitro CNC(=O)O[C@@H]1CO[C@]2(COC(C)(C)O2)[C@@](O)([C@@]2(C)CO2)[C@@H]1OC ZINC000003946252 EB Annotated Anodyne NCCCC[C@H](N)C(=O)NCCCNCCCCNCCCN ZINC000003964492 EB Annotated Anodyne C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCC)C(=O)[C@@]1(CO)CO1 ZINC000003982124 EB Annotated Mild in-vitro Nc1ncc(/C=C2\CNC(=O)[C@]3(O)C=C(Br)C(=O)N23)[nH]1 ZINC000035034296 EB Annotated Anodyne CN(C)C(=O)c1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)CCN1 ZINC000035949800 EB Annotated Mild CC1(C)OC[C@H]([C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2OS(N)(=O)=O)O1 ZINC000036288863 EB Annotated Anodyne CN1C(=O)[C@@H]2[C@H](N=C(NCCN)N2Cc2ccccc2)N(C)C1=O ZINC000036350326 EB Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](N=C(NCCN)N2Cc2ccccc2)N(C)C1=O ZINC000036350327 EB Annotated Anodyne CN1C(=O)[C@H]2[C@H](N=C(NCCN)N2Cc2ccccc2)N(C)C1=O ZINC000036350328 EB Annotated Anodyne CN1C(=O)[C@H]2[C@@H](N=C(NCCN)N2Cc2ccccc2)N(C)C1=O ZINC000036350329 EB Annotated Anodyne CC(=O)O[C@H]1C[C@](C)(O)C2=C[C@@H](O)[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000036375235 EB Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)N1CCNCC1 ZINC000036378346 EB Annotated Anodyne CC[C@H](C)[C@H](N)c1cn([C@@H](CC(N)=O)C(=O)N2CCNCC2)nn1 ZINC000036386750 EB Annotated Anodyne CC[C@H](C)[C@@H](N)c1cn([C@@H](CC(N)=O)C(=O)N2CCNCC2)nn1 ZINC000036386751 EB Annotated Anodyne CO[C@]12[C@H](COC(N)=O)C3=C(C(=O)[C@H](C)C(=N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000036386814 EB Annotated Mild Nc1ccn(CC(=O)NCCNc2ccc([N+](=O)[O-])cn2)c(=O)n1 ZINC000036389482 EB Annotated Bother NCC(=O)OCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000036423264 EB Annotated Anodyne NCC(=O)OCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000036423265 EB Annotated Anodyne C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000036463040 EB Annotated Mild in-vitro biogenic Cc1ccc2c(c1)n(O)c(NCCNCN1CCOCC1)n[n+]2=O ZINC000377799856 EB Annotated Anodyne COc1ccc2c(c1)n(O)c(NCCCN1CCOCC1)n[n+]2=O ZINC000377799882 EB Annotated Anodyne C=C(C)[C@@H]1CC[C@](C)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C1 ZINC000038243700 EB Annotated Mild CN(C)C(=O)c1ccc2c(n1)C(=O)C1=C(NCCS1(=O)=O)C2=O ZINC000038248453 EB Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000038542257 EB Annotated Anodyne in-man CC(=O)O[C@@H]1[C@H](O)[C@@H]2O[C@H]3C=C(C)[C@@H](O)C[C@@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000038542258 EB Annotated Anodyne in-man CC(=O)O[C@@H]1[C@H](O)[C@@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000038542259 EB Annotated Anodyne in-man CC(=O)O[C@@H]1[C@H](O)[C@@H]2O[C@H]3C=C(C)[C@@H](O)C[C@]3(CO)[C@@]1(C)[C@]21CO1 ZINC000038542260 EB Annotated Anodyne in-man CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)O)N2C(=O)/C(=C(\C)CO)[C@H]2C1 ZINC000038811222 EB Annotated Anodyne in-vitro CC(=O)N/C=C/[S@](=O)C1=C(C(=O)O)N2C(=O)/C(=C(\C)CO)[C@@H]2C1 ZINC000038931579 EB Annotated Anodyne in-vitro CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)O)N2C(=O)/C(=C(\C)CO)[C@@H]2C1 ZINC000038931585 EB Annotated Anodyne in-vitro C=C(CCC=C(C)C)[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038961580 EB Annotated Mild OC[C@H]1O[C@@]2(C[C@@H](c3ccc4ccccc4c3)NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000038965477 EB Annotated Anodyne in-vivo OC[C@H]1O[C@@]2(C[C@H](c3ccc4ccccc4c3)NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000038965478 EB Annotated Anodyne CC(=O)O[C@@H]1[C@H](O)C2=C(C)C[C@H](O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]2[C@]1(C)O ZINC000039177456 EB Annotated Anodyne CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000004098649 EB Annotated Anodyne in-vitro biogenic C[C@H]1O[C@@H](Nc2ccc(C(=O)O)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000004186488 EB Annotated Bother C[C@@H]1O[C@@H](Nc2ccc(C(=O)O)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000004186491 EB Annotated Bother C[C@H]1O[C@@H](Nc2ccc(C(=O)O)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000004186493 EB Annotated Bother C[C@@H]1O[C@@H](Nc2ccc(C(=O)O)c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000004186496 EB Annotated Bother O=C1N[C@@H]([C@H]2CC[C@H](Cl)CN2)C(=O)N[C@H]1[C@H]1CC[C@H](Cl)CN1 ZINC000004217311 EB Annotated Reactive Cn1c(N)c(S(=O)(=O)NCc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000004339428 EB Annotated Anodyne Cc1ccc(CNS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000004339433 EB Annotated Anodyne COCCNc1cc(OCCN(C)C)nc(OCCNC(=N)N)n1 ZINC000040379368 EB Annotated Anodyne C[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000040395410 EB Annotated Bother in-vitro biogenic C=C[C@](C)(CC/C=C(\C)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000040395647 EB Annotated Mild CC(=O)N1Cc2c(cc3c(c2O)OCO3)C2=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000040404835 EB Annotated Clean CC(C)(C)OC(=O)NCCNCC(=O)Nc1c[nH]c(=O)[nH]c1=O ZINC000040405930 EB Annotated Anodyne CCOc1c2c(cc3c1C(=O)N[C@@H]1C3=C[C@H](O)[C@@H](O)[C@H]1O)OCO2 ZINC000040406480 EB Annotated Anodyne COc1cc(C(C)=O)cc(OC)c1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000040406926 EB Annotated Anodyne CC(=O)O[C@H]1C=C2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4 ZINC000040408037 EB Annotated Anodyne CC(=O)O[C@@H]1CO[C@@H](SCC(N)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000040413835 EB Annotated Anodyne COC(=O)c1c(CS(=O)(=O)CCO)nc2ccccc2[n+]1[O-] ZINC000040466055 EB Annotated Anodyne N#CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)CN2C1 ZINC000040476789 EB Annotated Reactive CC(C)(C)[C@]1(O)C[C@H]2OC(=O)C[C@@]23C(=O)O[C@H]2OC(=O)[C@H](O)[C@]231 ZINC000040492099 EB Annotated Anodyne CC(C)(C)[C@]1(O)C[C@H]2OC(=O)C[C@]23C(=O)O[C@H]2OC(=O)[C@H](O)[C@]231 ZINC000040492101 EB Annotated Anodyne C(=N\NC1=NCCN1)\c1ccc2nc(/C=N\NC3=NCCN3)cn2c1 ZINC000040492452 EB Annotated Mild C(=N\NC1=NCCN1)\c1ccc2nc(/C=N/NC3=NCCN3)cn2c1 ZINC000040492454 EB Annotated Mild CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2OC1 ZINC000040526044 EB Annotated Anodyne CNC(=O)c1c(CS(=O)(=O)CCO)nc2ccccc2[n+]1[O-] ZINC000040632049 EB Annotated Anodyne CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCO[C@H]12)c1ccccc1 ZINC000040632494 EB Annotated Mild C[C@H](O)[C@@H](/N=C1/C=C(O)/C(=N\[C@@H](C(=O)O)[C@@H](C)O)C=C1O)C(=O)O ZINC000040698681 EB Annotated Mild C[C@H](O)[C@@H](/N=C1/C=C(O)/C(=N\[C@@H](C(=O)O)[C@H](C)O)C=C1O)C(=O)O ZINC000040698683 EB Annotated Mild C[C@H](O)[C@H](/N=C1/C=C(O)/C(=N\[C@@H](C(=O)O)[C@H](C)O)C=C1O)C(=O)O ZINC000040698687 EB Annotated Mild CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](N)[C@H](O)C3)nc21 ZINC000040723839 EB Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](N)[C@H](O)C3)nc21 ZINC000040723842 EB Annotated Anodyne CC1(C)O[C@H]2[C@@H](CO[C@@]3(COC(C)(C)O3)[C@@H]2OS(N)(=O)=O)O1 ZINC000040737391 EB Annotated Anodyne CC1(C)O[C@H]2[C@@H](CO[C@]3(COC(C)(C)O3)[C@@H]2OS(N)(=O)=O)O1 ZINC000040737394 EB Annotated Anodyne CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCO[C@H]12)c1ccco1 ZINC000040802083 EB Annotated Mild O=C1N=C(c2cnccn2)N(NS(=O)(=O)c2ccccc2)C1=O ZINC000040860798 EB Annotated Anodyne CCOC(=O)Cn1sc(=O)n(CC(=O)N2CCCCC2)c1=O ZINC000040861343 EB Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](CO)C[C@@H](O)[C@@H]1n1ccc(N)nc1=O ZINC000040879376 EB Annotated Anodyne NCCC[C@](N)(C(=O)OCCCNc1nc(N)nc(N)n1)C(F)F ZINC000040894154 EB Annotated Anodyne NCCC[C@@](N)(C(=O)OCCCNc1nc(N)nc(N)n1)C(F)F ZINC000040894157 EB Annotated Anodyne CCN1C(=O)c2c(cc3c(c2O)OCO3)C2=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000040900623 EB Annotated Anodyne CO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(CO)=C(C)C2=O)[C@H]1O ZINC000040914074 EB Annotated Mild CC(=O)O[C@@H]1[C@H](SCC(N)=O)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000040934042 EB Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](SCC(N)=O)[C@@H]1OC(C)=O ZINC000040935291 EB Annotated Anodyne [O-][n+]1nc(CCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)CCO3 ZINC000040937004 EB Annotated Anodyne CC(=O)O[C@H]1C=C2c3cc4c(cc3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4 ZINC000040950652 EB Annotated Anodyne C=C[C@](C)(CC/C=C(\CO)C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000040952892 EB Annotated Mild C=C[C@@](C)(CC/C=C(\CO)C(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000040952894 EB Annotated Mild OC[C@@H](O)[C@@H](O)[C@H](O)c1c[nH]c(-c2ncn(Cc3ccccc3)n2)n1 ZINC000042878078 EB Annotated Anodyne N#Cc1cn(-c2c[nH]n(-c3cc(N4CC(F)(F)C4)ncn3)c2=O)nn1 ZINC000043208619 EB Annotated Mild N#Cc1cn(-c2c[nH]n(-c3cc(N4CCCCO4)ncn3)c2=O)nn1 ZINC000043208620 EB Annotated Mild NS(=O)(=O)OC[C@]12CCC[C@H]1[C@@H]1OS(=O)(=O)O[C@@H]1CC2 ZINC000043598425 EB Annotated Mild CSC[S@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000004633510 EB Annotated Anodyne CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@H]12)C(C)(C)O ZINC000004916183 EB Annotated Anodyne CO[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@H]12)C(C)(C)O ZINC000004916186 EB Annotated Anodyne CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@H]12)C(C)(C)O ZINC000004916190 EB Annotated Anodyne Cn1c(N)c(C(=O)COC(=O)Cc2ccccc2)c(=O)n(C)c1=O ZINC000004966375 EB Annotated Anodyne O=NN(CCCl)C(=O)NC1CS(=O)(=O)CS(=O)(=O)C1 ZINC000004983394 EB Annotated Reactive CCOC(=O)CNC(=O)N1CCN(C(=O)NCC(=O)OCC)CC1 ZINC000045302941 EB Annotated Anodyne CNCC#Cc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000045364841 EB Annotated Mild CNCC#Cc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000045364844 EB Annotated Mild CCCCc1nc(N)nc(=O)n1C[C@@H](CO)OCP(=O)(O)O ZINC000045370302 EB Annotated Anodyne O=C1c2ccccc2C(=O)c2oc(CNC(CO)(CO)CO)cc21 ZINC000045498841 EB Annotated Clean CCCCCCCCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000473084158 EB Annotated Mild CC(=O)NCCCC(OC(C)=O)(P(=O)(O)O)P(=O)(O)O ZINC000473121681 EB Annotated Anodyne COc1ccc(COC(=O)CN(C)NC(=O)C[C@@H](N)CCN)cc1 ZINC000473127221 EB Annotated Reactive COc1cccc(COC(=O)CN(C)NC(=O)C[C@@H](N)CCN)c1 ZINC000473130913 EB Annotated Reactive CC(C)(O)c1cn(C[C@H](NC(=O)Cc2ccccc2)B(O)O)nn1 ZINC000473132450 EB Annotated Reactive COc1ccccc1COC(=O)CN(C)NC(=O)C[C@@H](N)CCN ZINC000473133381 EB Annotated Reactive CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCc1ccccc1 ZINC000473135354 EB Annotated Reactive OCC(CO)(CO)NC[C@@H](O)Cn1ccc2cc(Cl)ccc21 ZINC000473135806 EB Annotated Anodyne OCC(CO)(CO)NC[C@H](O)Cn1ccc2cc(Cl)ccc21 ZINC000473135807 EB Annotated Anodyne N=c1ncc(-c2nc(N3CCOCC3)c3ccc(CN)n3n2)c[nH]1 ZINC000474610069 EB Annotated Anodyne N[C@@H](CS)[C@H]1N[C@H](Cc2ccc(O)cc2)C(=O)N1CC(=O)O ZINC000048016102 EB Annotated Mild NS(=O)(=O)C1C=CC(NC(=O)CCCN2CCOCC2)C=C1 ZINC000049054370 EB Annotated Anodyne NS(=O)(=O)C1C=CC(NC(=O)CCCCN2CCOCC2)C=C1 ZINC000049054723 EB Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)N1C(=O)[C@@H]2COC[C@@H]2C1=O ZINC000049088111 EB Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000049872468 EB Annotated Bother Cc1ncc([N+](=O)[O-])n1CCOC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-] ZINC000049872469 EB Annotated Bother CCOC(=O)[C@@H]1CCCN(c2c(N3CCN(C)CC3)c(=O)c2=O)C1 ZINC000005068113 EB Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2c(N3CCN(C)CC3)c(=O)c2=O)C1 ZINC000005068119 EB Annotated Anodyne CCOC(=O)N1CCN(c2c(N3CCN(C)CC3)c(=O)c2=O)CC1 ZINC000005068791 EB Annotated Anodyne CC(=O)N/C=C/[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)O)[C@H]2C1 ZINC000005160006 EB Annotated Anodyne in-vitro Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@](=O)C(C)C ZINC000005352733 EB Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)C[S@](=O)C(C)C ZINC000005352737 EB Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@]3(CO3)[C@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@]12CO ZINC000005439058 EB Annotated Mild in-man CC(=O)O[C@H]1C[C@]2(C)[C@]3(CO3)[C@H]1O[C@H]1C=C(C)C(=O)[C@@H](O)[C@]12CO ZINC000005439059 EB Annotated Mild in-man CC(=O)O[C@H]1C[C@]2(C)[C@]3(CO3)[C@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO ZINC000005439061 EB Annotated Mild in-man CC(=O)O[C@H]1C[C@]2(C)[C@]3(CO3)[C@H]1O[C@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO ZINC000005439062 EB Annotated Mild in-man Cn1cc(S(=O)(=O)NC(=O)CNC(=O)NCC2CCCC2)cn1 ZINC000051897468 EB Annotated Anodyne O=c1nc(/N=C/N2CCOCC2)ccn1[C@@H]1CS[C@H](CO)O1 ZINC000053259751 EB Annotated Mild O=c1nc(/N=C/N2CCOCC2)ccn1[C@H]1CS[C@H](CO)O1 ZINC000053259753 EB Annotated Mild O=c1nc(/N=C/N2CCOCC2)ccn1[C@@H]1CS[C@@H](CO)O1 ZINC000053259757 EB Annotated Mild CC(C)(C)C(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCO ZINC000053683082 EB Annotated Anodyne in-vivo CCC(CC)[C@@H](NC(C)=O)[C@H]1[C@H](NC(=N)N)C[C@@H](C(=O)O)[C@@H]1O ZINC000053684036 EB Annotated Anodyne in-vivo C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)C(=O)O)=CC(=O)C3=C(C)C[C@H](O)[C@@H]12 ZINC000535384008 EB Annotated Mild CC[C@H](/N=C1\C[C@](O)(CO)CC(NCC(=O)O)=C1OC)C(=O)O ZINC000535385305 EB Annotated Mild C=C1CO[C@@](O)([C@H]2OCO[C@@H](C3CC(=O)NC(=O)C3)[C@H]2O)[C@@H]1C ZINC000005518284 EB Annotated Mild COC(=O)NCCc1n[nH]c2c1C(=O)C=C(N1CCOCC1)C2=O ZINC000005542060 EB Annotated Mild O=C(N/N=C/c1ccco1)[C@H](O)[C@@H](O)C(=O)N/N=C/c1ccco1 ZINC000005576045 EB Annotated Reactive CC[C@](NC(=O)[C@@H]1CCCN1)(C(=O)NCC(N)=O)c1ccccc1 ZINC000005599165 EB Annotated Anodyne investigational C[C@@H]1O[C@H](O[C@@H]2OC=C(C=O)[C@@]3(O)CC[C@H](C)[C@@H]23)[C@H](O)[C@H](O)[C@@H]1O ZINC000005618855 EB Annotated Reactive COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)[C@@H](O)[C@@H](O)[C@@](C)(O)C1 ZINC000005736269 EB Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCOC(N)=O)S[C@H]12 ZINC000005751653 EB Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000005767519 EB Annotated Anodyne CCOC(=O)C1=C(C)C2[C@H]3C(=O)NC(=O)[C@@H]3C1(C)[C@H]1C(=O)NC(=O)[C@H]21 ZINC000005824075 EB Annotated Anodyne CCOC(=O)C1=C(C)C2[C@@H]3C(=O)NC(=O)[C@@H]3C1(C)[C@H]1C(=O)NC(=O)[C@H]21 ZINC000005824076 EB Annotated Anodyne CCOC(=O)C1=C(C)C2[C@@H]3C(=O)NC(=O)[C@H]3C1(C)[C@H]1C(=O)NC(=O)[C@H]21 ZINC000005824078 EB Annotated Anodyne C#C[C@]1(CO)O[C@@H](n2cc(Br)c(N)nc2=O)C[C@@H]1O ZINC000005828064 EB Annotated Mild COC(=O)[C@H](C)NC(=O)[C@H](CSC)N1C(=O)N[C@@H](C(C)C)C1=O ZINC000005840075 EB Annotated Anodyne C#CCn1c(=O)c(C)cn(/C(=C\C(=O)OCC)C(=O)OCC)c1=O ZINC000005851457 EB Annotated Mild COC1(OC)N=C(N)[C@]2(C#N)[C@@]1(C#N)[C@]21C(=O)N(C(C)C)N=C1C ZINC000005964571 EB Annotated Mild Nc1n[nH]c(=O)c2c1c(Br)cn2COC(CO)CO ZINC000005973824 EB Annotated Anodyne CC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](N)C(=O)O)OC(C)=O ZINC000056870922 EB Annotated Anodyne in-vitro CC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](N)C(=O)O)OC(C)=O ZINC000056870923 EB Annotated Anodyne in-vitro CSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874468 EB Annotated Mild in-vitro CSCCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874474 EB Annotated Mild in-vitro C/C=C\OC[C@H](CO[P@](=O)(O)OC[C@H](O)CO)OC(C)=O ZINC000584879827 EB Annotated Anodyne C/C=C\OC[C@H](CO[P@](=O)(O)OC[C@@H](O)CO)OC(C)=O ZINC000584879828 EB Annotated Anodyne C/C=C/OC[C@H](CO[P@](=O)(O)OC[C@@H](O)CO)OC(C)=O ZINC000584879829 EB Annotated Anodyne C/C=C/OC[C@H](CO[P@](=O)(O)OC[C@H](O)CO)OC(C)=O ZINC000584879830 EB Annotated Anodyne CC(C)(CO[P@@H](=O)O)[C@@H](O)C(=O)NCCC(=O)NCCS ZINC000584905044 EB Annotated Mild C[C@@H](O)[C@@H](/N=C1/C=C(O)/C(=N\[C@@H](C(=O)O)[C@@H](C)O)C=C1O)C(=O)O ZINC000058608459 EB Annotated Mild O=C(O)[C@@H]1Cc2c(O)c(O)c3c(c2N1)[C@H](C(=O)O)C[C@H](C(=O)O)N3 ZINC000058626940 EB Annotated Clean N[C@@H](CS)[C@H]1N[C@@H](Cc2ccc(O)cc2)C(=O)N1CC(=O)O ZINC000058632863 EB Annotated Mild OC[C@H]1O[C@H]2C[C@H]3O[C@H]4CC=CCO[C@@H]4[C@@H](O)[C@@H]3O[C@@H]2C=C[C@@H]1O ZINC000058632967 EB Annotated Anodyne in-vitro C[C@@H](O)[C@H](N)C1=N/C(=C\c2ccc(O)c(F)c2)C(=O)N1CC(=O)O ZINC000058638366 EB Annotated Anodyne Nc1nc(=O)n(C[C@H](O)COP(=O)(O)O)cc1Br ZINC000058649731 EB Annotated Anodyne O=C(NCCNCCNCCNC(=O)C(F)(F)F)C(F)(F)F ZINC000058650324 EB Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c12 ZINC000586885836 EB Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c12 ZINC000586885858 EB Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c12 ZINC000586885860 EB Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c12 ZINC000586885862 EB Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2c1 ZINC000586886239 EB Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2c1 ZINC000586886240 EB Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2c1 ZINC000586886241 EB Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2c1 ZINC000586886242 EB Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)[C@H](O)CO)[nH]c2c1 ZINC000586890989 EB Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)[C@H](O)CO)[nH]c2c1 ZINC000586891005 EB Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)[C@@H](O)CO)[nH]c2c1 ZINC000586891009 EB Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](O)CO)[nH]c2c1 ZINC000586891011 EB Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586891461 EB Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586891465 EB Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586891466 EB Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586891467 EB Annotated Anodyne CC1=C(c2ccc3nc([C@H](O)[C@@H](O)C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000586893595 EB Annotated Anodyne CC1=C(c2ccc3nc([C@H](O)[C@H](O)C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000586893596 EB Annotated Anodyne CC1=C(c2ccc3nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000586893597 EB Annotated Anodyne CC1=C(c2ccc3nc([C@@H](O)[C@H](O)C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000586893598 EB Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)CP(=O)(O)O)[nH]c2c1 ZINC000586920092 EB Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)CP(=O)(O)O)[nH]c12 ZINC000586920783 EB Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586922960 EB Annotated Mild CN(Cc1nc2c(O)nc(O)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928772 EB Annotated Anodyne CN(Cc1nc2c(O)nc(N)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929530 EB Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586931383 EB Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586931404 EB Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c1 ZINC000586932371 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000586934910 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(N)ncnc3[nH]2)c1 ZINC000586935473 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cnncc3[nH]2)c1 ZINC000586935536 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cncnc3[nH]2)c1 ZINC000586935654 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(O)ncnc3[nH]2)c1 ZINC000586936044 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(N)ncc3[nH]2)c1 ZINC000586936192 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ncc[nH]c-3n2)c1 ZINC000586936501 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccnc(N)c3[nH]2)c1 ZINC000586936652 EB Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586936935 EB Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586936942 EB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(N)ccnc3[nH]2)c1 ZINC000586937241 EB Annotated Anodyne N=c1[nH]cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc-2[nH]1 ZINC000586937406 EB Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586938083 EB Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586938089 EB Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000586941604 EB Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000586941627 EB Annotated Anodyne CNS(=O)(=O)NCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586942390 EB Annotated Anodyne CNS(=O)(=O)NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586943069 EB Annotated Bother CNS(=O)(=O)NCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586943337 EB Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)n(C)c1 ZINC000586947619 EB Annotated Mild CNS(=O)(=O)N1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 ZINC000586956022 EB Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(O)nc(O)nc3[nH]2)CC1 ZINC000586956092 EB Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(O)nc(N)nc3[nH]2)CC1 ZINC000586956121 EB Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3nc(C#N)c(C#N)nc3[nH]2)CC1 ZINC000586956146 EB Annotated Mild N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnccc2[nH]1 ZINC000587217990 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnccc2[nH]1 ZINC000587217991 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnccc2[nH]1 ZINC000587217992 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnccc2[nH]1 ZINC000587217993 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncnc2[nH]1 ZINC000587218462 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncnc2[nH]1 ZINC000587218472 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncnc2[nH]1 ZINC000587218473 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncnc2[nH]1 ZINC000587218474 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnncc2[nH]1 ZINC000587218716 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnncc2[nH]1 ZINC000587218719 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnncc2[nH]1 ZINC000587218721 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnncc2[nH]1 ZINC000587218724 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccnc2[nH]1 ZINC000587219256 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccnc2[nH]1 ZINC000587219257 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccnc2[nH]1 ZINC000587219259 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccnc2[nH]1 ZINC000587219260 EB Annotated Anodyne Cc1ccnc2[nH]c(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc12 ZINC000587222340 EB Annotated Anodyne Cc1ccnc2[nH]c(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc12 ZINC000587222342 EB Annotated Anodyne Cc1ccnc2[nH]c(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc12 ZINC000587222345 EB Annotated Anodyne Cc1ccnc2[nH]c(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc12 ZINC000587222346 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ncc[nH]c-2n1 ZINC000587222365 EB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ncc[nH]c-2n1 ZINC000587222366 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ncc[nH]c-2n1 ZINC000587222367 EB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ncc[nH]c-2n1 ZINC000587222369 EB Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587228409 EB Annotated Anodyne O=C(O)CNCCNCc1nc2nc(Br)c[nH]c-2n1 ZINC000587229339 EB Annotated Anodyne NCCOCCOCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587245778 EB Annotated Anodyne NCCOCCOCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587246697 EB Annotated Anodyne NCCOCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587246905 EB Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587380110 EB Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587380111 EB Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)O[C@H]([C@@H](O)CO)C1=O)[C@@H](C2)C3=O ZINC000587449653 EB Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)O[C@H]([C@@H](O)CO)C1=O)[C@@H](C2)C3=O ZINC000587449670 EB Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)C(=O)O[C@@H]1[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587450069 EB Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)C(=O)O[C@@H]1[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587450072 EB Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C(=O)[C@H](O)C(=O)[C@@H](O)C1=O ZINC000587481957 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](O)C(=O)[C@@H](O)C1=O ZINC000587481966 EB Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C(=O)[C@@H](O)C(=O)[C@H](O)C1=O ZINC000587481968 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@@H](O)[C@@H](O)CO)CC2=O ZINC000587482952 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@@H](O)[C@@H](O)CO)CC2=O ZINC000587482953 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587483056 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587483060 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587483062 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587483063 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587483064 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587483066 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587483067 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587483068 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587483070 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587483072 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587483073 EB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587483075 EB Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](O)C(=O)[C@H](O)C2=O ZINC000587529768 EB Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](O)C(=O)[C@@H](O)C2=O ZINC000587529781 EB Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](O)C(=O)[C@@H](O)C2=O ZINC000587529783 EB Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000587531691 EB Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000587531692 EB Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@H](O)CO)[C@H]2O ZINC000587531693 EB Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@H](O)CO)[C@H]2O ZINC000587531694 EB Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000587531695 EB Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@H](O)CO)[C@@H]2O ZINC000587531696 EB Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@H](O)CO)[C@@H]2O ZINC000587531699 EB Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000587531700 EB Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@H]2OC(=O)[C@@H](O)[C@H]2O)Oc2c1ccc1c2CCCC1 ZINC000587532006 EB Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H]2OC(=O)[C@@H](O)[C@H]2O)Oc2c1ccc1c2CCCC1 ZINC000587532015 EB Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587554163 EB Annotated Anodyne COC(=O)[C@@H]1CC(=O)[C@H](C(=O)OC)c2cc3c(O)nc(O)nc3nc21 ZINC000587559903 EB Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)c2cc3c(O)nc(O)nc3nc21 ZINC000587559904 EB Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OC)c2nc3nc(O)nc(O)c3cc21 ZINC000587559905 EB Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@@H](C(=O)OC)c2cc3c(O)nc(O)nc3nc21 ZINC000587559906 EB Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)c1[nH]c2cccc(F)c2c1N1CCOCC1 ZINC000587636908 EB Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 ZINC000587970963 EB Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 ZINC000587970964 EB Annotated Anodyne NS(=O)(=O)c1cccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c12 ZINC000587970965 EB Annotated Anodyne O=C(Cc1c[nH]c2ccccc12)O[C@@H]1[C@H](CO)O[C@H](O)[C@H](O)[C@@H]1O ZINC000059065351 EB Annotated Anodyne in-vitro O=C(Cc1c[nH]c2ccccc12)O[C@H]1[C@H](CO)O[C@H](O)[C@H](O)[C@@H]1O ZINC000059065353 EB Annotated Anodyne in-vitro O=C(Cc1c[nH]c2ccccc12)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO ZINC000059065355 EB Annotated Anodyne in-vitro O=C(Cc1c[nH]c2ccccc12)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO ZINC000059065356 EB Annotated Anodyne in-vitro O=C(O)C1=NC2=C(c3[nH]c(C(=O)O)cc3C(=O)C2=O)[C@@H](C(=O)O)C1 ZINC000059066159 EB Annotated Mild in-vitro O=C(O)C1=NC2=C(c3[nH]c(C(=O)O)cc3C(=O)C2=O)[C@H](C(=O)O)C1 ZINC000059066162 EB Annotated Mild in-vitro CC(=O)OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000059085698 EB Annotated Mild C[C@H](Cn1nccn1)n1nnc2cc3c(=O)n(C)nnc3cc2c1=O ZINC000059185842 EB Annotated Bother C[C@H](Cn1ccnn1)n1nnc2cc3c(=O)n(C)nnc3cc2c1=O ZINC000059185844 EB Annotated Bother CSCCC/C(=N/O)S[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000059211711 EB Annotated Mild in-vitro CSCCC/C(=N/O)S[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000059211712 EB Annotated Mild in-vitro CSCCC/C(=N/O)S[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000059211713 EB Annotated Mild in-vitro CSCCC/C(=N/O)S[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000059211714 EB Annotated Mild in-vitro CCOn1cc(C[C@@]2(O)C(=O)O[C@H]3[C@@H](O)CO[C@@]32O)c2ccccc21 ZINC000006010374 EB Annotated Anodyne CCOn1cc(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@@]32O)c2ccccc21 ZINC000006010375 EB Annotated Anodyne CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000006030281 EB Annotated Bother CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000006037052 EB Annotated Bother O=C1N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@@]2(O)N1 ZINC000006093444 EB Annotated Anodyne CCOC(Cn1c(N)nc2c(ncn2COCCO)c1=O)OCC ZINC000006403851 EB Annotated Anodyne COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(N(C)C)ncnc32)C1 ZINC000061897488 EB Annotated Anodyne COC(=O)C[C@H]1C=C[C@@H](C(C(=O)OC)C(=O)OC)CN1C(C)=O ZINC000061931264 EB Annotated Anodyne Cc1cn(CC(=O)NCCNc2ccc([N+](=O)[O-])cn2)c(=O)[nH]c1=O ZINC000061936468 EB Annotated Bother COC(=O)[C@H](CCSC)NC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC000061936489 EB Annotated Anodyne CCC/N=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12 ZINC000061942232 EB Annotated Mild CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N/C ZINC000061942246 EB Annotated Mild CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SC)N21 ZINC000061942264 EB Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SC)N1[C@@]2(C)C(=O)OC ZINC000061942266 EB Annotated Anodyne COc1ccc(CNCCS(=O)(=O)NN2CCOCC2)cc1 ZINC000061943359 EB Annotated Anodyne COc1ccc(CN2C[C@]3(CO)O[C@@H](CO)C[C@@H]3S2(=O)=O)cc1 ZINC000061944841 EB Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(C)=O ZINC000061947198 EB Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC(=O)N3CCN(CCN)[C@H]3C2)cc1 ZINC000061947649 EB Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC(=O)N3CCN(CCN)[C@@H]3C2)cc1 ZINC000061947650 EB Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccccc1 ZINC000061949230 EB Annotated Anodyne CC(C)(C)NS(=O)(=O)NC(=O)C1=C(N2CCCC2)COC1=O ZINC000061949593 EB Annotated Anodyne COC(=O)c1ccc(N2C[C@@H]3CNC(=O)[C@@]2(C(=O)OC)N3C)cc1 ZINC000061969188 EB Annotated Anodyne CO[C@]12[C@@H](COC(=N)O)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@@H]1N[C@H]12 ZINC000617978371 EB Annotated Mild CO[C@]12[C@@H](COC(=N)O)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@H]1N[C@H]12 ZINC000617978372 EB Annotated Mild CO[C@@]12[C@H](COC(=N)O)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000617995270 EB Annotated Mild CC1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000618006292 EB Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@H]1C[C@@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000618006293 EB Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000618006294 EB Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000618006295 EB Annotated Anodyne CN(C)CCSSCCNC(=O)CCNS(C)(=O)=O ZINC000618009794 EB Annotated Reactive CCN(CC(=O)NC)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618012458 EB Annotated Anodyne CCN(CC(=O)NC)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618012464 EB Annotated Anodyne CCN(CC(=O)NC)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618012465 EB Annotated Anodyne CCN(CC(=O)NC)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618012467 EB Annotated Anodyne C[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cn2)N[C@@H]2N[C@@H](O)NC(=O)[C@H]12 ZINC000618012923 EB Annotated Anodyne C[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cn2)N[C@@H]2N[C@@H](O)NC(=O)[C@@H]12 ZINC000618012936 EB Annotated Anodyne C[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cn2)N[C@@H]2N[C@H](O)NC(=O)[C@H]12 ZINC000618012938 EB Annotated Anodyne C[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cn2)N[C@@H]2N[C@H](O)NC(=O)[C@@H]12 ZINC000618012939 EB Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCNC(=O)C1 ZINC000618013040 EB Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCNC(=O)C1 ZINC000618013048 EB Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCNC(=O)C1 ZINC000618013049 EB Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCNC(=O)C1 ZINC000618013050 EB Annotated Anodyne CC(=O)NCCNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618013127 EB Annotated Anodyne CC(=O)NCCNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618013130 EB Annotated Anodyne CC(=O)NCCNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618013131 EB Annotated Anodyne CC(=O)NCCNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618013133 EB Annotated Anodyne CCCCN1[C@@H]2C(=O)NC(=O)N(CCC)[C@H]2N[C@H]1CCC(=O)NO ZINC000618013134 EB Annotated Bother CCCCN1[C@H](CCC(=O)NO)N[C@H]2[C@@H]1C(=O)NC(=O)N2CCC ZINC000618013139 EB Annotated Bother CCCCN1[C@H](CCC(=O)NO)N[C@@H]2[C@@H]1C(=O)NC(=O)N2CCC ZINC000618013140 EB Annotated Bother CCCCN1[C@@H]2C(=O)NC(=O)N(CCC)[C@@H]2N[C@H]1CCC(=O)NO ZINC000618013142 EB Annotated Bother C[C@@H]1S[C@@H]2N[C@H](CCC(=O)NS(C)(=O)=O)NC(=O)[C@@H]2[C@H]1C ZINC000618013338 EB Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CCC(=O)NS(C)(=O)=O)NC(=O)[C@H]2[C@H]1C ZINC000618013346 EB Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CCC(=O)NS(C)(=O)=O)NC(=O)[C@@H]2[C@@H]1C ZINC000618013348 EB Annotated Anodyne C[C@@H]1S[C@@H]2N[C@H](CCC(=O)NS(C)(=O)=O)NC(=O)[C@H]2[C@@H]1C ZINC000618013350 EB Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](Cn1cnc(C#N)n1)N2CC ZINC000618013443 EB Annotated Mild CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](Cn1cnc(C#N)n1)N2CC ZINC000618013451 EB Annotated Mild CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](Cn1cnc(C#N)n1)N2CC ZINC000618013463 EB Annotated Mild CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](Cn1cnc(C#N)n1)N2CC ZINC000618013470 EB Annotated Mild CNC(=O)CCNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618014116 EB Annotated Anodyne CNC(=O)CCNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000618014117 EB Annotated Anodyne CNC(=O)CCNC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000618014118 EB Annotated Anodyne CNC(=O)CCNC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618014119 EB Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](Cn1nnnc1C)N2CC ZINC000618014394 EB Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](Cn1nnnc1C)N2CC ZINC000618014398 EB Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](Cn1nnnc1C)N2CC ZINC000618014399 EB Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](Cn1nnnc1C)N2CC ZINC000618014400 EB Annotated Anodyne CCCN(C)S(=O)(=O)N(C)C[C@@H]1NC(=O)[C@H]2SCC[C@@H]2N1 ZINC000618014482 EB Annotated Anodyne CCCN(C)S(=O)(=O)N(C)C[C@@H]1NC(=O)[C@@H]2SCC[C@@H]2N1 ZINC000618014487 EB Annotated Anodyne CCCN(C)S(=O)(=O)N(C)C[C@@H]1NC(=O)[C@@H]2SCC[C@H]2N1 ZINC000618014488 EB Annotated Anodyne CCCN(C)S(=O)(=O)N(C)C[C@@H]1NC(=O)[C@H]2SCC[C@H]2N1 ZINC000618014489 EB Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)Nc1ccn(C)n1 ZINC000618014698 EB Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)Nc1ccn(C)n1 ZINC000618014700 EB Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)Nc1ccn(C)n1 ZINC000618014701 EB Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)Nc1ccn(C)n1 ZINC000618014702 EB Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1nncn1C ZINC000618014982 EB Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1nncn1C ZINC000618014983 EB Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1nncn1C ZINC000618014984 EB Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1nncn1C ZINC000618014985 EB Annotated Anodyne COCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1S[C@H](C)C(C)=O ZINC000618016394 EB Annotated Anodyne COCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1S[C@H](C)C(C)=O ZINC000618016395 EB Annotated Anodyne COCCN1[C@H](S[C@H](C)C(C)=O)N[C@@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618016396 EB Annotated Anodyne COCCN1[C@H](S[C@H](C)C(C)=O)N[C@H]2[C@@H]1C(=O)NC(=O)N2C ZINC000618016397 EB Annotated Anodyne N#Cc1ccc(C2=NO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)S2)cc1 ZINC000062178893 EB Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccncc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064446948 EB Annotated Mild N=C(N)NCc1cn(CC(=O)N(CC(=O)O)c2ccccc2)nn1 ZINC000064540865 EB Annotated Anodyne N=C(N)NCCc1cn(CC(=O)N(CC(=O)O)c2ccccc2)nn1 ZINC000064540866 EB Annotated Anodyne Nc1nc2nc3c(nc2c(=O)[nH]1)C(O)=C1O[P@](=O)(O)OC[C@H]1O3 ZINC000064625200 EB Annotated Anodyne in-vitro Nc1nc2nc3c(nc2c(=O)[nH]1)C(O)=C1O[P@](=O)(O)OC[C@@H]1O3 ZINC000064625201 EB Annotated Anodyne in-vitro O=c1c(O)c(CCOP(=O)(O)O)ccn1CP(=O)(O)O ZINC000064746584 EB Annotated Anodyne O=C(NC/C=C/[C@H]1OC[C@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cc(O)c1O ZINC000064746637 EB Annotated Clean COC(=O)C(C(=O)OC)=C1NC(=O)N([C@H]2C=C[C@@H](CO)O2)C=C1C ZINC000006521450 EB Annotated Anodyne Nc1nc(=O)n([C@H]2C=C[C@@H](CO)O2)cc1I ZINC000006524211 EB Annotated Anodyne Nc1nc(=O)n([C@H]2CO[C@H](CO)O2)cc1I ZINC000006524220 EB Annotated Anodyne Nc1nc(=O)n([C@H]2CO[C@@H](CO)O2)cc1I ZINC000006524222 EB Annotated Anodyne Nc1nc(=O)n([C@@H]2CO[C@H](CO)O2)cc1I ZINC000006524254 EB Annotated Anodyne O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC000006524391 EB Annotated Clean O=C(O)C1=C[C@@H](O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)C1 ZINC000006524400 EB Annotated Clean CN(C)CCNC(=O)Cn1cnc2c(nc3n2CCCCC3)c1=O ZINC000006936059 EB Annotated Anodyne CC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCCNc2ccncc2C)C1 ZINC000065388062 EB Annotated Anodyne COCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCc2nc(C)cc(C)n2)C1 ZINC000065407502 EB Annotated Anodyne COCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCc2c(C)noc2C)C1 ZINC000065490776 EB Annotated Anodyne O=C1C=C[C@]2(CCCC23OCCO3)N1C(=O)CCN1CCNCC1 ZINC000653692110 EB Annotated Anodyne O=C1C=C[C@@]2(CCCC23OCCO3)N1C(=O)CCN1CCNCC1 ZINC000653692111 EB Annotated Anodyne OC[C@H]1O[C@@]2(CC(c3cc4ccccc4[nH]3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653700252 EB Annotated Anodyne OC[C@H]1O[C@@]2(CC(c3c[nH]c4ccccc34)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653700259 EB Annotated Anodyne N[C@@H](Cc1c(O)noc1-c1nnn(Cc2ccncc2)n1)C(=O)O ZINC000653725532 EB Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@]21N ZINC000653746583 EB Annotated Anodyne OC[C@H]1O[C@@]2(CC(c3cc4ccccc4o3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653782488 EB Annotated Anodyne C[C@H](OC(=O)N=c1c[n+](N2CCOCC2)[nH]o1)OC(=O)C(C)(C)C ZINC000653805874 EB Annotated Anodyne C[C@@H](OC(=O)N=c1c[n+](N2CCOCC2)[nH]o1)OC(=O)C(C)(C)C ZINC000653805875 EB Annotated Anodyne COC(=O)[C@H](C)NC(=O)CNc1nc(NC(C)=O)[nH]c2ncnc1-2 ZINC000653887160 EB Annotated Anodyne CC(C)OCCCNC(=O)[C@@]12CNC[C@@H]1CN(S(C)(=O)=O)C2 ZINC000065530166 EB Annotated Anodyne CN1C[C@H]2CNC[C@@]2(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 ZINC000065535152 EB Annotated Mild CC1(C)S[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)S1 ZINC000066074907 EB Annotated Anodyne CC1(C)S[C@@H](C(=O)O)[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)S1 ZINC000066074909 EB Annotated Anodyne CC1(C)S[C@H](C(=O)O)[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)S1 ZINC000066074911 EB Annotated Anodyne CC1(C)S[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C(=O)O)S1 ZINC000066074912 EB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCCN)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099109 EB Annotated Mild CN(C(=O)C[C@@H](N)CCCCCN)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099111 EB Annotated Mild CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC2)cc1NC[C@H](O)CO ZINC000066111778 EB Annotated Bother CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC2)cc1NC[C@@H](O)CO ZINC000066111779 EB Annotated Bother NC(=O)c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1C(N)=O ZINC000066166298 EB Annotated Mild C#CCNC(=O)CO[C@H]1O[C@H](COC(C)=O)C=C(OC(C)=O)C1=O ZINC000066251266 EB Annotated Mild COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CC2=O ZINC000066251428 EB Annotated Anodyne NC(=O)c1nc(-c2n[nH]nc2-c2ccc(F)cc2)n(COCCO)n1 ZINC000066252389 EB Annotated Anodyne NC(=O)c1nc(-c2n[nH]nc2-c2cccs2)n(COCCO)n1 ZINC000066252393 EB Annotated Anodyne NC(=O)c1nc(-c2n[nH]nc2-c2ccccc2)n(COCCO)n1 ZINC000066262102 EB Annotated Anodyne O=C(O)C1=NC2=C(C1)C(=O)C(=O)c1nc(C(=O)O)cc(C(=O)O)c12 ZINC000067175936 EB Annotated Anodyne in-vitro O=C(NCC[C@@H]1CN(C2CCCC2)CCO1)c1c[nH]c(=O)[nH]c1=O ZINC000067772282 EB Annotated Anodyne O=C(NCC[C@H]1CN(C2CCCC2)CCO1)c1c[nH]c(=O)[nH]c1=O ZINC000067772285 EB Annotated Anodyne O=C(NCC[C@@H]1CN(C2CCCC2)CCO1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000067773528 EB Annotated Anodyne O=C(NCC[C@H]1CN(C2CCCC2)CCO1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000067773529 EB Annotated Anodyne CN(C)c1nc2c(c(N3CCc4c(c(CO)nn4C)C3)n1)CCNC2 ZINC000067822113 EB Annotated Anodyne C[C@H]1CC[C@H]([C@]2(C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O2)C(=O)C1 ZINC000070450958 EB Annotated Anodyne in-vitro biogenic C=C(CC/C=C(\C)C(=O)O)[C@@H]1CO[C@H]2O[C@@H](CO)[C@H](O)C(=O)[C@]21O ZINC000070454091 EB Annotated Mild in-vitro biogenic C[C@@H]1C(=O)[C@@H](C)[C@@]23C[C@@H](OC(=O)[C@@H]2O)[C@](C)(O)[C@@]2(COC2=O)[C@@]13C ZINC000070455173 EB Annotated Anodyne in-vitro biogenic CS(=O)(=O)Nn1c(O)nc2cc(S(C)(=O)=O)ccc2c1=O ZINC000071331439 EB Annotated Anodyne CS(=O)(=O)Nn1c(=O)[nH]c2cc(Br)ccc2c1=O ZINC000071334935 EB Annotated Anodyne O=C(O)C1=C/C(=C\C=N\[C@H](CCCO)C(=O)O)C[C@H](C(=O)O)N1 ZINC000071756652 EB Annotated Mild in-man O=C(O)C1=C/C(=C\C=N\[C@H](CCCO)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000071756653 EB Annotated Mild in-man C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H](N)[C@@H](C)O)Cc2c1[nH]c1ccccc21 ZINC000072108473 EB Annotated Reactive C[C@@H]1NC(=O)[C@H](CO)NC(=O)CCCCCC[C@H](C(=O)O)CC1=O ZINC000072112740 EB Annotated Anodyne COC1=C(S(N)(=O)=O)[C@@H]2NS(=O)(=O)c3cnccc3N2C=C1 ZINC000072115019 EB Annotated Anodyne COC1=C(S(N)(=O)=O)[C@H]2NS(=O)(=O)c3cnccc3N2C=C1 ZINC000072115020 EB Annotated Anodyne NCCCC[C@H](N)C(=O)NC[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000072116502 EB Annotated Bother COc1nc(=O)n(C)c(CC(O)(COC(C)=O)COC(C)=O)c1C ZINC000072127812 EB Annotated Anodyne CC(=O)OCC(F)(COC(C)=O)Cc1c(C)c(=O)[nH]c(=O)n1C ZINC000072127868 EB Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CCO)CC2)CN1Cc1ccccc1 ZINC000072134804 EB Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CCO)CC2)CN1Cc1ccccc1 ZINC000072134805 EB Annotated Anodyne O=S1(=O)C[C@H](N2CC[C@@H](O)C2)[C@@H](COCc2ccccc2)N1 ZINC000072139451 EB Annotated Anodyne CS(=O)(=O)C1=S=Nn2c1nc1ccc(S(N)(=O)=O)cc12 ZINC000072176757 EB Annotated Anodyne NS(=O)(=O)c1ccc2nc3n(c2c1)N=S=C3N1CCOCC1 ZINC000072176758 EB Annotated Anodyne O=C1CC[C@@H](N2S(=O)(=O)c3ccccc3S2(=O)=O)C(=O)N1 ZINC000072177028 EB Annotated Anodyne O=C1CC[C@H](N2S(=O)(=O)c3ccccc3S2(=O)=O)C(=O)N1 ZINC000072177029 EB Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CO[N+](=O)[O-] ZINC000072177871 EB Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CO[N+](=O)[O-] ZINC000072177872 EB Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1C[C@@H](CO)O[C@H](OC)[C@H](O)C1 ZINC000072180480 EB Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N1C[C@@H](CO)O[C@H](OC)[C@H](O)C1 ZINC000072180481 EB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@H](O)C[C@H]2N1CC1CCCCC1 ZINC000072187699 EB Annotated Anodyne C[C@H](Cn1ncnn1)n1cnc2cc3c(=O)n(C)nnc3cc2c1=O ZINC000073142302 EB Annotated Bother C[C@H](Cn1nccn1)n1cnc2cc3c(=O)n(C)nnc3cc2c1=O ZINC000073142305 EB Annotated Bother C[C@H](Cn1ccnn1)n1cnc2cc3c(=O)n(C)nnc3cc2c1=O ZINC000073142308 EB Annotated Bother CO[C@]1(C)O[C@H]2[C@@H](O)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073142327 EB Annotated Mild CO[C@]1(C)O[C@H]2[C@H](O)C(COC(C)=O)=CC(=O)[C@@H]2O[C@@]1(C)OC ZINC000073157293 EB Annotated Mild CO[C@]1(C)O[C@H]2[C@H](O)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073158590 EB Annotated Mild O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@H]1N1CC(=O)OC(=O)C1 ZINC000073241770 EB Annotated Reactive O=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N1CC(=O)OC(=O)C1 ZINC000073241772 EB Annotated Reactive O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@@H]1N1CC(=O)OC(=O)C1 ZINC000073241774 EB Annotated Reactive O=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@@H]1N1CC(=O)OC(=O)C1 ZINC000073241776 EB Annotated Reactive O=C(OCCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-] ZINC000073258862 EB Annotated Bother COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@H]1C=C[C@H](O)[C@@H](CO)O1 ZINC000007998339 EB Annotated Anodyne O=C1C2=CC[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@@H]2[C@H](O)[C@@H]2O[C@H]12 ZINC000007998687 EB Annotated Mild CCOC(=O)CCN1C(=O)[C@@H]2CC=C3C(=O)[C@H]4O[C@H]4[C@@H](O)[C@H]3[C@H]2C1=O ZINC000007998694 EB Annotated Mild O=C1C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000007998722 EB Annotated Anodyne O=C1[C@H]2CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@@H]12 ZINC000007998748 EB Annotated Anodyne Cc1nc[nH]c1CN1CCN(C(=O)C2CC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077285840 EB Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)[C@H](C)C(=N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000008214663 EB Annotated Mild Nn1cnn2c(SCC(=O)Nc3cncc(Cl)n3)nnc12 ZINC000082053241 EB Annotated Anodyne CCc1nc(C(=O)NCC(=O)OCCN(CCN)CCO)cs1 ZINC000082071978 EB Annotated Anodyne CCCCNC(=O)OC[C@H](O)Cn1cc(CN2CCOCC2)nn1 ZINC000082149798 EB Annotated Anodyne CCCCNC(=O)OC[C@@H](O)Cn1cc(CN2CCOCC2)nn1 ZINC000082149801 EB Annotated Anodyne CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N)cc2c1=O ZINC000082157974 EB Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)CCN2 ZINC000082204472 EB Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)CCN2 ZINC000082204476 EB Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)CCN2 ZINC000082204780 EB Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)CCN2 ZINC000082204786 EB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)CCN2 ZINC000082204819 EB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)CCN2 ZINC000082204820 EB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)CCN2 ZINC000082204828 EB Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 ZINC000082204870 EB Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(CCN)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205472 EB Annotated Anodyne COCCn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205950 EB Annotated Anodyne COCCn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206685 EB Annotated Anodyne COCCn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206686 EB Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208267 EB Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208270 EB Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@@H](CC)N2 ZINC000082208275 EB Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](CC)N2 ZINC000082208276 EB Annotated Mild CC[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208279 EB Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208281 EB Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(CCN)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210244 EB Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(CCN)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210246 EB Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CN)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212480 EB Annotated Anodyne C[C@H]1CNc2c(NC(=O)CN)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212483 EB Annotated Anodyne O=C1N[C@H]([C@H]2CC[C@@H](Cl)CN2)C(=O)N[C@@H]1[C@@H]1CC[C@@H](Cl)CN1 ZINC000083921844 EB Annotated Reactive in-vitro O=C1N[C@H]([C@@H]2CC[C@@H](Cl)CN2)C(=O)N[C@H]1[C@H]1CC[C@@H](Cl)CN1 ZINC000083921846 EB Annotated Reactive in-vitro O=C1N[C@H]([C@@H]2CC[C@@H](Cl)CN2)C(=O)N[C@H]1[C@@H]1CC[C@@H](Cl)CN1 ZINC000083921848 EB Annotated Reactive in-vitro Cc1nc(N)n(C[C@@H](CO)OC[P@](=O)(O)OC(C)C)c(=O)n1 ZINC000084425540 EB Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@]1(C)O)[C@H]23 ZINC000008575887 EB Annotated Anodyne COC1=C/C(=C/NNc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)C=CC1=O ZINC000008615915 EB Annotated Mild COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1CC1CCCCC1 ZINC000008679965 EB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1CC1CCCCC1 ZINC000008860380 EB Annotated Anodyne CO[C@]1(O)C=C[C@@]23c4cc5c(cc4[C@@H](O)N(C[C@H]2O)[C@H]3C1)OCO5 ZINC000085507875 EB Annotated Anodyne in-vitro biogenic C=C[C@H]1OC(=O)C=C2[C@@]3(C)[C@H]4O[C@H]4[C@H](O)[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@]213 ZINC000085509015 EB Annotated Mild in-vitro biogenic COC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H](n2cc(CC(N)=O)c3ccccc32)O1 ZINC000085552030 EB Annotated Anodyne CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)/C(=C(\C)CO)[C@H]2C1 ZINC000085557829 EB Annotated Anodyne CCc1ccc2ncc(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)[c-]2c1 ZINC000085569293 EB Annotated Anodyne in-vitro biogenic O=C(O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1c[nH]c2ccccc12 ZINC000085589743 EB Annotated Anodyne in-man endogenous O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1c[nH]c2ccccc12 ZINC000085589744 EB Annotated Anodyne in-man endogenous CC1(C)O[C@]2(C)CC[C@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085647678 EB Annotated Anodyne in-man CC(=O)O[C@H]1C[C@]2(CO)[C@@H](C=C1C)O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)[C@]12CO2 ZINC000085849595 EB Annotated Anodyne in-man CC(=O)O[C@H]1C[C@]2(CO)[C@H](C=C1C)O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)[C@]12CO2 ZINC000085849598 EB Annotated Anodyne in-man CC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)[C@]12CO2 ZINC000085849602 EB Annotated Anodyne in-man CC(=O)O[C@H]1C[C@@]2(CO)[C@H](C=C1C)O[C@H]1[C@@H](O)[C@@H](O)[C@]2(C)[C@]12CO2 ZINC000085849605 EB Annotated Anodyne in-man CC(=O)OC[C@@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@H]1[C@@H](O)C[C@]2(C)[C@]12CO2 ZINC000085849789 EB Annotated Mild in-man CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@H]1O)O[C@H]1[C@@H](O)C[C@]2(C)[C@]12CO2 ZINC000085849796 EB Annotated Mild in-man CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@H]1[C@@H](O)C[C@]2(C)[C@]12CO2 ZINC000085849799 EB Annotated Mild in-man CC(=O)OC[C@@]12[C@H](C=C(C)C(=O)[C@H]1O)O[C@H]1[C@@H](O)C[C@]2(C)[C@]12CO2 ZINC000085849800 EB Annotated Mild in-man COC(=O)[C@]12C=CCC[C@@]1(O)O[C@@]1(CCC=C[C@@]1(O)C(=O)OC)O2 ZINC000085918263 EB Annotated Anodyne NC[C@@H]1CN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)CCO1 ZINC000095516934 EB Annotated Anodyne NC[C@H]1CN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)CCO1 ZINC000095516935 EB Annotated Anodyne Cc1ccc(N(C)CCn2nnc3c(C(N)=O)ncn3c2=O)cc1 ZINC000095560275 EB Annotated Anodyne N#C/N=C(/NCCO)NCCSCc1cnc(N=C(N)N)s1 ZINC000095581422 EB Annotated Mild C/C=C/[C@]12C(=O)[C@H]3O[C@H]3[C@H](O)[C@H]1[C@H]1C(=C[C@@H]2C)C(=O)[C@H]2O[C@H]2[C@@H]1O ZINC000095585850 EB Annotated Mild CN(N=O)C(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O ZINC000095587466 EB Annotated Reactive CCCCCCCCC/N=C1/N[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O1 ZINC000095587666 EB Annotated Mild CCCCCCCCCN=C1N[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2N1 ZINC000095589400 EB Annotated Mild CN(N(C(=O)N(CCCl)N=O)S(C)(=O)=O)S(C)(=O)=O ZINC000095589412 EB Annotated Reactive CCCCCCCCC/N=C1/N[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O1 ZINC000095590225 EB Annotated Mild CCCCCCCCCN=C1N[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2N1 ZINC000095592568 EB Annotated Mild CCCCCCCCCN=C1N[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]2N1 ZINC000095592569 EB Annotated Mild Cc1ccc(S(=O)(=O)NCn2nnc(C(=O)O)c2C(=O)O)cc1 ZINC000095593697 EB Annotated Anodyne C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000095599680 EB Annotated Anodyne C=C(O)C(=O)O[C@@H]1[C@@H](F)C(C(=O)O)=C[C@H](O[P@](C)(=O)O)[C@H]1O ZINC000095662113 EB Annotated Anodyne in-vitro CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095667649 EB Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@@H](CC(=O)NCC2CC2)O[C@H]1CO ZINC000095676334 EB Annotated Anodyne COCC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677331 EB Annotated Anodyne COCC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677332 EB Annotated Anodyne COCC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677333 EB Annotated Anodyne COCC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677334 EB Annotated Anodyne COCC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677335 EB Annotated Anodyne COCC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677336 EB Annotated Anodyne COCC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677337 EB Annotated Anodyne COCC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677338 EB Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095677698 EB Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095677700 EB Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095677702 EB Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095677704 EB Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095677706 EB Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095677708 EB Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095677710 EB Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095677711 EB Annotated Anodyne CC1=C[C@]2(CO)C(=O)[C@]3(CO3)[C@H]1[C@H]1[C@]2(C)C=C(CO)C(=O)[C@]12CO2 ZINC000095785146 EB Annotated Mild CCNC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095794078 EB Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCCN1CCCC1 ZINC000095794146 EB Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCN1CCCC1 ZINC000095794571 EB Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCN1CCCC1 ZINC000095794614 EB Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCN1CCCC1 ZINC000095794865 EB Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095796851 EB Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095796881 EB Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCN1CCCC1 ZINC000095796885 EB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095796898 EB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095796935 EB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095796943 EB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095797037 EB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095797146 EB Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095797316 EB Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095797659 EB Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095798285 EB Annotated Anodyne C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)c1cccc(C(=O)NO)c1 ZINC000095808780 EB Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O ZINC000095808920 EB Annotated Reactive CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095864511 EB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095865629 EB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095866807 EB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095866982 EB Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCCN1CCCC1 ZINC000095869318 EB Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095871728 EB Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095871755 EB Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095871757 EB Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095871761 EB Annotated Anodyne COC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095881673 EB Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095881674 EB Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCCN1CCCC1 ZINC000095884694 EB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903751 EB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903752 EB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903753 EB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903754 EB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903756 EB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903758 EB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903759 EB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903760 EB Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095904855 EB Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095904856 EB Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095904858 EB Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095904860 EB Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095904861 EB Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095904864 EB Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095904865 EB Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095904867 EB Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095905041 EB Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095905042 EB Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095905043 EB Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095905044 EB Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095905045 EB Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095905046 EB Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095905047 EB Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O1 ZINC000095908155 EB Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@H](NC(=O)CN(C)C)[C@H](CO)O1 ZINC000095908156 EB Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@H](NC(=O)CN(C)C)[C@@H](CO)O1 ZINC000095908157 EB Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1 ZINC000095908158 EB Annotated Anodyne CC(C)NC(=O)NCC[C@H]1CC[C@H](NC(=O)CN(C)C)[C@H](CO)O1 ZINC000095908159 EB Annotated Anodyne CC(C)NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1 ZINC000095908160 EB Annotated Anodyne CC(=O)O[C@@H]1C[C@@](C)(O)[C@]2(O)C=C[C@H](O)[C@@]2(C)[C@@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000095909198 EB Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2(C)CC[C@@H]1C[C@H]2O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095909888 EB Annotated Anodyne in-vitro biogenic CC1(C)O[C@]2(C)CC[C@H]1C[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095911990 EB Annotated Anodyne in-vitro biogenic C=C[C@](C)(CCC[C@@H](C)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095912023 EB Annotated Mild in-vitro biogenic C=C(C)[C@]1(C)CC[C@](C)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C1 ZINC000095913497 EB Annotated Mild in-vitro biogenic CC(C)C1=CC[C@@]2(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@]3(O)O[C@@H]2C1 ZINC000095919036 EB Annotated Anodyne in-vitro biogenic C[N+](C)(CCO)Cc1cn(-c2cc(C(=O)O)nc(C(=O)O)c2)nn1 ZINC000095920600 EB Annotated Bother Cn1c[n+](CC(=O)c2ccc(O)c(C(=O)O)c2)c2nc(N)[nH]c(=O)c21 ZINC000095921275 EB Annotated Mild COCCCn1cc(CN2C[C@H](N3CCCC3)CS2(=O)=O)nn1 ZINC000096020807 EB Annotated Anodyne COCCCn1cc(CN2C[C@@H](N3CCCC3)CS2(=O)=O)nn1 ZINC000096020808 EB Annotated Anodyne CCN(C)[C@@H]1CN(Cc2cn(CCCOC)nn2)S(=O)(=O)C1 ZINC000096020982 EB Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(CCCOC)nn2)S(=O)(=O)C1 ZINC000096020983 EB Annotated Anodyne COC(=O)CCCn1cc(CN2C[C@@H](N(C)C)CS2(=O)=O)nn1 ZINC000096021002 EB Annotated Anodyne COC(=O)CCCn1cc(CN2C[C@H](N(C)C)CS2(=O)=O)nn1 ZINC000096021003 EB Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CCO)CC2)CN1C1CCCCC1 ZINC000096021036 EB Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CCO)CC2)CN1C1CCCCC1 ZINC000096021037 EB Annotated Anodyne CCCCN1C[C@H](N2CCN(CCN(C)C)CC2)CS1(=O)=O ZINC000096021068 EB Annotated Anodyne CCCCN1C[C@@H](N2CCN(CCN(C)C)CC2)CS1(=O)=O ZINC000096021069 EB Annotated Anodyne O=S1(=O)C[C@@H](N2CC[C@@H](O)C2)[C@H](COCc2ccccc2)N1 ZINC000096021110 EB Annotated Anodyne COC(=O)[C@@]1(O)c2c(oc3cc(CO)cc(O)c3c2=O)CC[C@H]1O ZINC000096085959 EB Annotated Anodyne in-vitro C=C[C@H]1OC(=O)C=C2[C@@]3(C)[C@@H]4O[C@@H]4[C@H](O)[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@]213 ZINC000096085994 EB Annotated Mild in-vitro CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@](C)(O)CO)nc21 ZINC000096168463 EB Annotated Mild CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)CO)nc21 ZINC000096168464 EB Annotated Mild O=C(O)C1CN(c2cc(-n3[nH]cc(-n4ccnc4)c3=O)ncn2)C1 ZINC000096176109 EB Annotated Anodyne CN(C)C1CN(c2cc(-n3[nH]cc(-n4ccnn4)c3=O)ncn2)C1 ZINC000096176110 EB Annotated Anodyne Cn1ccnc1C(=O)NC[C@H]1OC[C@@H]2CCN(S(C)(=O)=O)C[C@H]12 ZINC000096185488 EB Annotated Anodyne CCN1C[C@@]2(CC1=O)CN(C(=O)NC)CCN(S(C)(=O)=O)C2 ZINC000096262129 EB Annotated Anodyne CCN1C[C@]2(CC1=O)CN(C(=O)NC)CCN(S(C)(=O)=O)C2 ZINC000096262130 EB Annotated Anodyne O=C(NC(CO)(CO)CO)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000096272535 EB Annotated Bother O=C(NC(CO)(CO)CO)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000096272543 EB Annotated Bother N#Cc1ccc(/C(=N/O)S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000096902245 EB Annotated Mild CC(C)(C)C(=O)c1cnc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)s1 ZINC000096908980 EB Annotated Anodyne CN1CC[C@]2(O)[C@@H](O)[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@H]12)OCO5 ZINC000096909160 EB Annotated Anodyne CN(CCn1nnc2c(C(N)=O)ncn2c1=O)c1ccc(F)cc1 ZINC000096910811 EB Annotated Anodyne C/C(=C\CC[C@@H](C(=O)O)[C@@H]1CN(C[C@H](O)CCO)C(=N)N1)CO ZINC000096915260 EB Annotated Anodyne C/C(=C\CC[C@@H](C(=O)O)[C@@H]1CN(C[C@@H](O)CCO)C(=N)N1)CO ZINC000096915261 EB Annotated Anodyne CN1CCN(c2nc3c(c(N4CCOCC4)n2)CCNCC3)CC1 ZINC000096928120 EB Annotated Anodyne COc1cc(N2CC[C@@H]3O[C@@H](C(=O)NCCN(C)C)C[C@@H]32)ncn1 ZINC000097954344 EB Annotated Anodyne N[C@@H](CS)[C@@H]1N[C@H](Cc2ccc(O)cc2)C(=O)N1CC(=O)O ZINC000098208733 EB Annotated Mild N[C@@H](CS)[C@@H]1N[C@@H](Cc2ccc(O)cc2)C(=O)N1CC(=O)O ZINC000098208734 EB Annotated Mild OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1NCc1ccc(Br)cc1 ZINC000098209126 EB Annotated Anodyne