COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC ZINC000000000797 49/13/06/452491306 NZHGWWWHIYHZNX-CSKARUKUSA-N -1 327.336 EG 3.054 0 Anodyne ref EGAARM COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc1OC world Cc1cc2c(-c3ccccc3F)nc(N3CCNCC3)nc2s1 ZINC000000004901 49/15/96/452491596 FVIVKIGLBDRWNR-UHFFFAOYSA-N 0 328.416 EG 3.215 3 Anodyne high EGABHN Cc1cc2c(-c3ccccc3F)nc(N3CCNCC3)nc2s1 investigational Cc1cc2c(-c3ccccc3F)nc(N3CCNCC3)nc2s1 ZINC000000004901 49/15/89/452491589 FVIVKIGLBDRWNR-UHFFFAOYSA-N 1 328.416 EG 3.215 0 Anodyne ref EGABRO Cc1cc2c(-c3ccccc3F)nc(N3CC[NH2+]CC3)nc2s1 investigational Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C ZINC000000005803 49/12/81/452491281 MJRGSRRZKSJHOE-UHFFFAOYSA-N -1 345.424 EG 3.311 0 Anodyne ref EGAARM Cc1noc([N-]S(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C in-vitro O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O ZINC000000039226 49/63/34/452496334 WMSUFWLPZLCIHP-UHFFFAOYSA-N 0 337.331 EG 3.016 0 Mild ref EGEARN O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O in-vitro COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057530 39/36/15/209393615 YXWQTVWJNHKSCC-INIZCTEOSA-N 0 343.423 EG 3.151 3 Anodyne high EGAAHN COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC in-vitro COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057530 39/36/10/209393610 YXWQTVWJNHKSCC-INIZCTEOSA-N 0 343.423 EG 3.151 0 Anodyne ref EGAARN COc1ccc(C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC in-vitro COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057531 90/27/86/277902786 YXWQTVWJNHKSCC-MRXNPFEDSA-N 0 343.423 EG 3.151 3 Anodyne high EGAAHN COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC in-vitro COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057531 90/27/84/277902784 YXWQTVWJNHKSCC-MRXNPFEDSA-N 1 343.423 EG 3.151 0 Anodyne ref EGAARO COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC in-vitro Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000527386 61/42/65/452614265 AHOUBRCZNHFOSL-YOEHRIQHSA-N 1 329.371 EG 3.327 0 Anodyne ref EGAARO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 fda biogenic Fc1ccc([C@@H]2CCNC[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000527387 61/44/54/452614454 AHOUBRCZNHFOSL-PBHICJAKSA-N 1 329.371 EG 3.327 0 Anodyne ref EGAARO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1 investigational CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000001530759 66/80/91/452668091 JWHAUXFOSRPERK-SFHVURJKSA-N 1 341.451 EG 3.241 0 Anodyne ref EGAARO CCC[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 fda CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000001530760 66/67/77/452666777 JWHAUXFOSRPERK-GOSISDBHSA-N 1 341.451 EG 3.241 0 Anodyne ref EGAARO CCC[NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 fda COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O ZINC000001542890 64/96/97/522649697 JGPMMRGNQUBGND-UHFFFAOYSA-N 0 338.444 EG 3.462 1 Mild mid EGEAMN COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O world COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O ZINC000001542890 64/96/78/522649678 JGPMMRGNQUBGND-UHFFFAOYSA-N 0 338.444 EG 3.462 0 Mild ref EGEARN COC1=C(OC)C(=O)C(C)C(=CCCCCCCCCCO)C1=O world COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000001668228 77/90/60/209779060 UCJDFFOXXPPGLJ-UHFFFAOYSA-N 1 341.407 EG 3.309 2 Anodyne low EGAALO COc1ccc(CC2=[NH+]CCc3cc(OC)c(OC)cc32)cc1OC in-vitro biogenic COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000001668228 77/90/59/209779059 UCJDFFOXXPPGLJ-UHFFFAOYSA-N 0 341.407 EG 3.309 0 Anodyne ref EGAARN COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC in-vitro biogenic N=C(N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 ZINC000002013227 68/38/42/452683842 MOOFYEJFXBSZGE-LQGKIZFRSA-N 0 334.21 EG 3.475 0 Mild ref EGEARN N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 in-man CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(Br)cc1 ZINC000002379440 69/53/43/452695343 ZAMLGGRVTAXBHI-LLVKDONJSA-N -1 344.205 EG 3.49 0 Anodyne ref EGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000003779067 14/13/54/274141354 YBHILYKTIRIUTE-UHFFFAOYSA-N 1 336.367 EG 3.096 0 Anodyne ref EGAARO COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 world metabolite COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000003781369 38/84/06/284388406 WMSQGMYJYBSBKA-ALHYADCGSA-N 0 331.456 EG 3.073 0 Anodyne ref EGAARN COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@H]4C)ccc3[nH]2)cc1 ZINC000004170129 79/53/42/452795342 GLBJJMFZWDBELO-LLVKDONJSA-N 0 334.379 EG 3.099 1 Anodyne mid EGAAMN COc1ccc(-c2nc3ccc(C4=NNC(=O)C[C@H]4C)cc3[nH]2)cc1 in-man COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@H]4C)ccc3[nH]2)cc1 ZINC000004170129 79/53/30/452795330 GLBJJMFZWDBELO-LLVKDONJSA-N 0 334.379 EG 3.099 0 Anodyne ref EGAARN COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@H]4C)ccc3[nH]2)cc1 in-man COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@@H]4C)ccc3[nH]2)cc1 ZINC000005071680 83/65/46/452836546 GLBJJMFZWDBELO-NSHDSACASA-N 0 334.379 EG 3.099 1 Anodyne mid EGAAMN COc1ccc(-c2nc3ccc(C4=NNC(=O)C[C@@H]4C)cc3[nH]2)cc1 in-man COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@@H]4C)ccc3[nH]2)cc1 ZINC000005071680 83/65/36/452836536 GLBJJMFZWDBELO-NSHDSACASA-N 0 334.379 EG 3.099 0 Anodyne ref EGAARN COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@@H]4C)ccc3[nH]2)cc1 in-man NC(=O)CCC/N=C(/c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000018153101 64/53/40/453645340 IBALRBWGSVJPAP-FXBPSFAMSA-N -1 334.778 EG 3.288 3 Mild high EGEBHM NC(=O)CCC/N=C(/c1ccc(Cl)cc1)c1cc(F)ccc1[O-] world NC(=O)CCC/N=C(/c1ccc(Cl)cc1)c1cc(F)ccc1O ZINC000018153101 64/53/38/453645338 IBALRBWGSVJPAP-FXBPSFAMSA-N 0 334.778 EG 3.288 0 Mild ref EGEBRN NC(=O)CCC/N=C(/c1ccc(Cl)cc1)c1cc(F)ccc1O world COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2n1 ZINC000021984015 26/77/15/212267715 ZZRLRRBNMPMTIL-UHFFFAOYSA-N 1 330.413 EG 3.279 2 Anodyne low EGABLO COc1ccc2nc(SCc3[nH+]cc(C)c(OC)c3C)[nH]c2n1 COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2n1 ZINC000021984015 26/77/11/212267711 ZZRLRRBNMPMTIL-UHFFFAOYSA-N 0 330.413 EG 3.279 0 Anodyne ref EGABRN COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2n1 CCOC[C@@H](O)COc1ccc(NOCCCSC(C)C)cc1 ZINC000021993032 07/61/28/202076128 JZHFMVGZSREJEX-MRXNPFEDSA-N 1 343.489 EG 3.338 2 Anodyne low EGABLO CCOC[C@@H](O)COc1ccc([NH2+]OCCCSC(C)C)cc1 CCOC[C@@H](O)COc1ccc(NOCCCSC(C)C)cc1 ZINC000021993032 07/61/24/202076124 JZHFMVGZSREJEX-MRXNPFEDSA-N 0 343.489 EG 3.338 0 Anodyne ref EGABRN CCOC[C@@H](O)COc1ccc(NOCCCSC(C)C)cc1 CCOC[C@H](O)COc1ccc(NOCCCSC(C)C)cc1 ZINC000021993034 07/60/53/202076053 JZHFMVGZSREJEX-INIZCTEOSA-N 1 343.489 EG 3.338 2 Anodyne low EGABLO CCOC[C@H](O)COc1ccc([NH2+]OCCCSC(C)C)cc1 CCOC[C@H](O)COc1ccc(NOCCCSC(C)C)cc1 ZINC000021993034 07/60/50/202076050 JZHFMVGZSREJEX-INIZCTEOSA-N 0 343.489 EG 3.338 0 Anodyne ref EGABRN CCOC[C@H](O)COc1ccc(NOCCCSC(C)C)cc1 OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000048520671 82/22/17/304822217 BYKNGMLDSIEFFG-UHFFFAOYSA-N 0 332.084 EG 3.42 0 Mild ref EGEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000100038546 94/14/36/264941436 KVJXBPDAXMEYOA-CXANFOAXSA-N 0 329.44 EG 3.467 0 Reactive ref EGGARN C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O world