COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000000607911 76/55/72/493765572 RUZIUYOSRDWYQF-HNNXBMFYSA-N 1 355.434 FG 3.473 1 Anodyne mid FGAAMO COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 in-man biogenic COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000000607911 76/55/71/493765571 RUZIUYOSRDWYQF-HNNXBMFYSA-N 1 355.434 FG 3.473 1 Anodyne mid FGAAMO COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 in-man biogenic COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000000607911 76/55/70/493765570 RUZIUYOSRDWYQF-HNNXBMFYSA-N 0 355.434 FG 3.473 0 Anodyne ref FGAARN COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 in-man biogenic COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 ZINC000000608233 30/58/74/219305874 QUCQEUCGKKTEBI-UHFFFAOYSA-N 1 352.41 FG 3.385 0 Anodyne ref FGAARO COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 biogenic in-vivo COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN(C)C)c23)c1 ZINC000000722190 77/14/31/493771431 VRVWZVKLZZGFET-UHFFFAOYSA-N -1 355.39 FG 3.448 3 Clean high FGCAHM COc1ccc(OC)c(C(=O)c2coc3ccc([O-])c(CN(C)C)c23)c1 in-vitro COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN(C)C)c23)c1 ZINC000000722190 77/14/27/493771427 VRVWZVKLZZGFET-UHFFFAOYSA-N 1 355.39 FG 3.448 1 Clean mid FGCAMO COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)c1 in-vitro COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN(C)C)c23)c1 ZINC000000722190 77/14/21/493771421 VRVWZVKLZZGFET-UHFFFAOYSA-N 0 355.39 FG 3.448 0 Clean ref FGCARN COc1ccc(OC)c(C(=O)c2coc3ccc([O-])c(C[NH+](C)C)c23)c1 in-vitro CC1(C)c2ccccc2N(CCO)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000000825609 77/49/64/493774964 FGJPKPQMQFZPJY-FQEVSTJZSA-N 0 352.39 FG 3.487 0 Bother ref FGBARN CC1(C)c2ccccc2N(CCO)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 CC1(C)c2ccccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000000825610 27/79/89/210277989 FGJPKPQMQFZPJY-HXUWFJFHSA-N 0 352.39 FG 3.487 0 Bother ref FGBARN CC1(C)c2ccccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000000899824 07/01/53/291070153 VFLDPWHFBUODDF-FCXRPNKRSA-N 0 368.385 FG 3.37 1 Mild mid FGEAMN COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1O aggregator investigational endogenous COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000000899824 07/01/52/291070152 VFLDPWHFBUODDF-FCXRPNKRSA-N 0 368.385 FG 3.37 0 Mild ref FGEARN COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O aggregator investigational endogenous CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 ZINC000000968326 34/73/47/219347347 HYAFETHFCAUJAY-KRWDZBQOSA-N 0 356.447 FG 3.16 2 Anodyne low FGAALN CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 fda CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 ZINC000000968326 34/73/42/219347342 HYAFETHFCAUJAY-KRWDZBQOSA-N -1 356.447 FG 3.16 0 Anodyne ref FGAARM CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1 fda CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 ZINC000000968327 78/01/28/493780128 HYAFETHFCAUJAY-QGZVFWFLSA-N 0 356.447 FG 3.16 2 Anodyne low FGAALN CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 fda CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 ZINC000000968327 78/01/22/493780122 HYAFETHFCAUJAY-QGZVFWFLSA-N -1 356.447 FG 3.16 0 Anodyne ref FGAARM CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1 fda Cc1cccn2c(=O)c(C=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000002330872 38/31/44/132383144 HYMYUGHIQVOBAG-UHFFFAOYSA-N 0 361.445 FG 3.275 0 Anodyne ref FGAARN Cc1cccn2c(=O)c(C=O)c(N3CCC(Cc4ccccc4)CC3)nc12 Cc1nn(C)c(C)c1-c1cc(C(=O)O)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000004294497 01/03/53/207010353 UGZDTULLKBIXPG-UHFFFAOYSA-N -1 365.368 FG 3.251 0 Anodyne ref FGAARM Cc1nn(C)c(C)c1-c1cc(C(=O)[O-])n2nc(-c3ccc(F)cc3)cc2n1 O=C(O)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000009420542 12/37/85/494123785 VKANJHRRLLLPPY-UHFFFAOYSA-N -1 368.823 FG 3.449 2 Anodyne low FGAALM O=C([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 O=C(O)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000009420542 12/37/79/494123779 VKANJHRRLLLPPY-UHFFFAOYSA-N -2 368.823 FG 3.449 0 Anodyne ref FGAARL O=C([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 CCc1nn2c(=O)c(CCC(=O)O)c(C)[nH]c2c1-c1ccc(Cl)cc1 ZINC000013731727 09/07/73/220090773 XBWYBPNCGFNAKP-UHFFFAOYSA-N -2 359.813 FG 3.231 0 Anodyne ref FGAARL CCc1[n-]n2c(=O)c(CCC(=O)[O-])c(C)nc2c1-c1ccc(Cl)cc1 COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 ZINC000019535049 26/89/43/220268943 AEQDJSLRWYMAQI-KRWDZBQOSA-N 0 355.434 FG 3.377 0 Anodyne ref FGAARN COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 investigational biogenic COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000019701716 45/46/10/494454610 OWDPAOQLSAOHNV-INIZCTEOSA-N 1 369.417 FG 3.235 2 Anodyne low FGAALO COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000019701716 45/46/06/494454606 OWDPAOQLSAOHNV-INIZCTEOSA-N 1 369.417 FG 3.235 2 Anodyne low FGAALO COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000019701716 45/45/95/494454595 OWDPAOQLSAOHNV-INIZCTEOSA-N 0 369.417 FG 3.235 0 Anodyne ref FGAARN COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000019701718 45/53/47/494455347 OWDPAOQLSAOHNV-MRXNPFEDSA-N 1 369.417 FG 3.235 2 Anodyne low FGAALO COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000019701718 45/53/41/494455341 OWDPAOQLSAOHNV-MRXNPFEDSA-N 1 369.417 FG 3.235 2 Anodyne low FGAALO COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000019701718 45/53/36/494455336 OWDPAOQLSAOHNV-MRXNPFEDSA-N 0 369.417 FG 3.235 0 Anodyne ref FGAARN COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 O=C(O)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 ZINC000044893768 38/60/62/494386062 SKKDDAVRLMTWBC-UHFFFAOYSA-N -1 350.147 FG 3.263 0 Anodyne ref FGAARM O=C([O-])c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 COc1cc2c(cc1OC)-c1nc3c(cnn3C(C)C)c(C(=O)O)c1C2 ZINC000095473149 05/67/92/209056792 REYWYPMYEOPEKK-UHFFFAOYSA-N -1 353.378 FG 3.299 0 Anodyne ref FGAARM COc1cc2c(cc1OC)-c1nc3c(cnn3C(C)C)c(C(=O)[O-])c1C2 O=C(O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O ZINC000216626117 99/04/77/496990477 TXTFWPFJVAPSNF-UHFFFAOYSA-N -1 359.385 FG 3.049 0 Unstable ref FGIARM O=C([O-])CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O O=C(O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 ZINC000216626582 99/05/17/496990517 RSFFRROTNXKDKK-LJQANCHMSA-N -1 364.401 FG 3.446 0 Unstable ref FGIARM O=C([O-])CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 O=C(O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 ZINC000216626626 65/35/28/209653528 RSFFRROTNXKDKK-IBGZPJMESA-N -1 364.401 FG 3.446 0 Unstable ref FGIARM O=C([O-])CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 Cc1nn(-c2ccccc2)c(C)c1-c1n[nH]c(C(=O)O)c1Br ZINC000216627627 66/72/25/222667225 JKGAVELVUUWANX-UHFFFAOYSA-N -1 361.199 FG 3.34 0 Unstable ref FGIARM Cc1nn(-c2ccccc2)c(C)c1-c1[nH]nc(C(=O)[O-])c1Br