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(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC ZINC000000621828 93/50/65/203935065 KGPAYJZAMGEDIQ-QGZVFWFLSA-N 0 357.45 FG 3.493 3 Anodyne high FGAAHN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC world endogenous COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC ZINC000000621828 93/50/62/203935062 KGPAYJZAMGEDIQ-QGZVFWFLSA-N 1 357.45 FG 3.493 1 Anodyne mid FGAAMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1OC world endogenous COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC ZINC000000621828 93/50/58/203935058 KGPAYJZAMGEDIQ-QGZVFWFLSA-N 1 357.45 FG 3.493 0 Anodyne ref FGAARO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1OC world endogenous COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC ZINC000000621833 76/58/55/493765855 KGPAYJZAMGEDIQ-KRWDZBQOSA-N 0 357.45 FG 3.493 3 Anodyne high FGAAHN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC world endogenous COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC ZINC000000621833 76/58/51/493765851 KGPAYJZAMGEDIQ-KRWDZBQOSA-N 1 357.45 FG 3.493 1 Anodyne mid FGAAMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1OC world endogenous COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC ZINC000000621833 76/58/48/493765848 KGPAYJZAMGEDIQ-KRWDZBQOSA-N 1 357.45 FG 3.493 0 Anodyne ref FGAARO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1OC world endogenous CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000001405764 00/46/99/204004699 DPESQYWBICPDAA-UHFFFAOYSA-N 0 368.311 FG 3.338 0 Anodyne ref FGAARN CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000001576227 01/27/26/204012726 YRKFMPDOFHQWPI-LJQANCHMSA-N 0 368.433 FG 3.107 0 Anodyne ref FGAARN [NH3+]CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 ZINC000001668768 36/56/65/210365665 PEYUIKBAABKQKQ-AFHBHXEDSA-N 0 354.358 FG 3.219 0 Anodyne ref FGAARN c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 in-man endogenous FC(F)(F)c1cc(N2CCNCC2)c2cc(Br)ccc2n1 ZINC000002243378 38/28/41/132382841 NMODVQMGKQKWHA-UHFFFAOYSA-N 0 360.177 FG 3.426 3 Anodyne high FGABHN FC(F)(F)c1cc(N2CCNCC2)c2cc(Br)ccc2n1 FC(F)(F)c1cc(N2CCNCC2)c2cc(Br)ccc2n1 ZINC000002243378 38/28/40/132382840 NMODVQMGKQKWHA-UHFFFAOYSA-N 1 360.177 FG 3.426 0 Anodyne ref FGABRO FC(F)(F)c1cc(N2CC[NH2+]CC2)c2cc(Br)ccc2n1 CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000002243400 03/00/61/204030061 DBFVFUILGIOAGQ-UHFFFAOYSA-N 0 352.312 FG 3.458 0 Anodyne ref FGABRN CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(C(F)(F)F)cc1 N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002390978 39/53/78/210395378 RAQBUPMYCNRBCQ-IBGZPJMESA-N 0 368.433 FG 3.107 0 Anodyne ref FGAARN [NH3+][C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002391045 03/67/29/204036729 YRKFMPDOFHQWPI-IBGZPJMESA-N 0 368.433 FG 3.107 0 Anodyne ref FGAARN [NH3+]CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] COc1ccc2c(=O)c(O)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1 ZINC000002525200 81/09/51/493810951 FCCNXKMBVZPUNM-UHFFFAOYSA-N -1 358.346 FG 3.2 3 Anodyne high FGAAHM COc1ccc2c(=O)c([O-])c(-c3cc(OC)c(OC)c(OC)c3)oc2c1 COc1ccc2c(=O)c(O)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1 ZINC000002525200 81/09/44/493810944 FCCNXKMBVZPUNM-UHFFFAOYSA-N 0 358.346 FG 3.2 0 Anodyne ref FGAARN COc1ccc2c(=O)c(O)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1 COC(=O)CC(OC)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002526245 04/38/19/204043819 XPOSYKDOZHQEMJ-UHFFFAOYSA-N 0 366.176 FG 3.007 0 Mild ref FGEBRN COC(=O)CC(OC)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1O ZINC000002566088 81/10/29/493811029 LYLDPYNWDVVPIQ-UHFFFAOYSA-N 0 358.346 FG 3.2 0 Anodyne ref FGAARN COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1O in-vitro biogenic CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@H]1c1c(F)cccc1Cl ZINC000002567118 81/13/67/493811367 IHICMROGSFCXGK-ZETCQYMHSA-N 0 365.71 FG 3.462 0 Anodyne ref FGAARN CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@H]1c1c(F)cccc1Cl OC/C(I)=C/C(F)(F)C(F)(F)C(F)(F)F ZINC000002575581 04/54/92/204045492 AAIXLNBYXIVUKR-IWQZZHSRSA-N 0 351.987 FG 3.131 0 Mild ref FGEBRN OC/C(I)=C/C(F)(F)C(F)(F)C(F)(F)F C=C(C)C(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002578094 81/07/73/493810773 BCTGGJURYOEMFV-LURJTMIESA-N 0 362.188 FG 3.325 0 Mild ref FGEBRN C=C(C)C(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1c(F)cccc1Cl ZINC000003048443 83/03/27/493830327 IHICMROGSFCXGK-SSDOTTSWSA-N 0 365.71 FG 3.462 0 Anodyne ref FGAARN CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1c(F)cccc1Cl COc1cc(O)c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 ZINC000004104685 77/09/52/522770952 VHCQVGQULWFQTM-VOTSOKGWSA-N 0 374.389 FG 3.331 1 Mild mid FGEAMN COc1cc(O)c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 in-vitro biogenic COc1cc(O)c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 ZINC000004104685 77/09/39/522770939 VHCQVGQULWFQTM-VOTSOKGWSA-N -1 374.389 FG 3.331 0 Mild ref FGEARM COc1cc([O-])c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 in-vitro biogenic O=C(Oc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000005519500 68/68/85/219686885 GQKLSDHTHVGMSN-INIZCTEOSA-N 0 370.361 FG 3.301 0 Bother ref FGBBRN O=C(Oc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)OCc1ccccc1 COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 ZINC000005733766 94/14/31/493941431 HHGPYJLEJGNWJA-UHFFFAOYSA-N 0 358.346 FG 3.2 2 Anodyne low FGAALN COc1cc2oc(-c3ccc(OC)c(OC)c3)c(OC)c(O)c-2c(=O)c1 in-vitro biogenic COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 ZINC000005733766 94/14/29/493941429 HHGPYJLEJGNWJA-UHFFFAOYSA-N 0 358.346 FG 3.2 1 Anodyne mid FGAAMN COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 in-vitro biogenic COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 ZINC000005733766 94/14/22/493941422 HHGPYJLEJGNWJA-UHFFFAOYSA-N -1 358.346 FG 3.2 1 Anodyne mid FGAAMM COc1cc([O-])c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 in-vitro biogenic COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 ZINC000005733766 94/14/16/493941416 HHGPYJLEJGNWJA-UHFFFAOYSA-N -1 358.346 FG 3.2 0 Anodyne ref FGAARM COc1cc2oc(-c3ccc(OC)c(OC)c3)c(OC)c([O-])c-2c(=O)c1 in-vitro biogenic COc1ccc2oc(-c3cc(OC)c(OC)cc3OC)c(O)c(=O)c2c1 ZINC000012359499 22/69/06/494226906 VVIFZIGADVQGQI-UHFFFAOYSA-N -1 358.346 FG 3.2 3 Anodyne high FGAAHM COc1ccc2oc(-c3cc(OC)c(OC)cc3OC)c([O-])c(=O)c2c1 COc1ccc2oc(-c3cc(OC)c(OC)cc3OC)c(O)c(=O)c2c1 ZINC000012359499 22/68/99/494226899 VVIFZIGADVQGQI-UHFFFAOYSA-N 0 358.346 FG 3.2 0 Anodyne ref FGAARN COc1ccc2oc(-c3cc(OC)c(OC)cc3OC)c(O)c(=O)c2c1 CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(C)=O ZINC000017654626 21/80/99/220218099 SZUJJDLBXJCDNT-ZCNNSNEGSA-N 0 359.551 FG 3.296 0 Mild ref FGEARN CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(C)=O c1cc2c(cc1[C@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 ZINC000018037965 42/19/93/494421993 PEYUIKBAABKQKQ-WZBLMQSHSA-N 0 354.358 FG 3.219 0 Anodyne ref FGAARN c1cc2c(cc1[C@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 in-man endogenous Nc1cccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020246669 47/01/44/494470144 PYTDNLPBQWHGMZ-UHFFFAOYSA-N 1 357.767 FG 3.058 1 Anodyne mid FGAAMO Nc1ccc[nH+]c1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 Nc1cccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020246669 47/01/33/494470133 PYTDNLPBQWHGMZ-UHFFFAOYSA-N 0 357.767 FG 3.058 0 Anodyne ref FGAARN Nc1cccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 c1cc2c(cc1[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 ZINC000043458244 18/86/75/210188675 PEYUIKBAABKQKQ-FEBSWUBLSA-N 0 354.358 FG 3.219 0 Anodyne ref FGAARN c1cc2c(cc1[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 in-man endogenous COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 ZINC000053147420 18/99/03/205189903 GRTOGORTSDXSFK-DLLGKBFGSA-N 1 352.434 FG 3.179 1 Anodyne mid FGAAMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 in-vitro biogenic COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 ZINC000053147420 18/98/98/205189898 GRTOGORTSDXSFK-DLLGKBFGSA-N 1 352.434 FG 3.179 1 Anodyne mid FGAAMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 in-vitro biogenic COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 ZINC000053147420 18/98/93/205189893 GRTOGORTSDXSFK-DLLGKBFGSA-N 0 352.434 FG 3.179 0 Anodyne ref FGAARN COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 in-vitro biogenic COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 ZINC000053147422 18/99/42/205189942 GRTOGORTSDXSFK-XJTZBENFSA-N 1 352.434 FG 3.179 1 Anodyne mid FGAAMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 in-man biogenic COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 ZINC000053147422 18/99/37/205189937 GRTOGORTSDXSFK-XJTZBENFSA-N 1 352.434 FG 3.179 1 Anodyne mid FGAAMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 in-man biogenic COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 ZINC000053147422 18/99/33/205189933 GRTOGORTSDXSFK-XJTZBENFSA-N 0 352.434 FG 3.179 0 Anodyne ref FGAARN COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 in-man biogenic COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 ZINC000053174616 10/08/94/494100894 GRTOGORTSDXSFK-BMYCAMMWSA-N 1 352.434 FG 3.179 1 Anodyne mid FGAAMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 in-vivo COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 ZINC000053174616 10/08/93/494100893 GRTOGORTSDXSFK-BMYCAMMWSA-N 1 352.434 FG 3.179 1 Anodyne mid FGAAMO COC(=O)C1=CO[C@@H](C)[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 in-vivo COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 ZINC000053174616 10/08/90/494100890 GRTOGORTSDXSFK-BMYCAMMWSA-N 0 352.434 FG 3.179 0 Anodyne ref FGAARN COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 in-vivo N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000055388214 33/55/29/494335529 BLQSAXJSJHUEIQ-IBGZPJMESA-N 1 370.449 FG 3.154 1 Anodyne mid FGAAMO [NH3+][C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 in-vitro N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000055388214 33/55/21/494335521 BLQSAXJSJHUEIQ-IBGZPJMESA-N 0 370.449 FG 3.154 0 Anodyne ref FGAARN N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 in-vitro N[C@@H](CCC(=O)O)CCC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000064219203 10/58/34/494105834 RPDCBBHPPWOJHE-AWEZNQCLSA-N 0 353.418 FG 3.314 0 Anodyne ref FGABRN [NH3+][C@@H](CCC(=O)[O-])CCC(=O)OCC1c2ccccc2-c2ccccc21 N[C@@H](CCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000064219204 14/52/69/221145269 UJUWBWQRBQCYLG-IBGZPJMESA-N 0 353.418 FG 3.314 1 Anodyne mid FGAAMN [NH3+][C@@H](CCCCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 N[C@@H](CCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000064219204 14/52/66/221145266 UJUWBWQRBQCYLG-IBGZPJMESA-N -1 353.418 FG 3.314 0 Anodyne ref FGAARM N[C@@H](CCCCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 N[C@H](CCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000079670055 38/38/36/527383836 UJUWBWQRBQCYLG-LJQANCHMSA-N 0 353.418 FG 3.314 1 Anodyne mid FGAAMN [NH3+][C@H](CCCCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 N[C@H](CCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000079670055 38/38/24/527383824 UJUWBWQRBQCYLG-LJQANCHMSA-N -1 353.418 FG 3.314 0 Anodyne ref FGAARM N[C@H](CCCCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 C=C(C)C(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095676564 98/95/99/494989599 BCTGGJURYOEMFV-ZCFIWIBFSA-N 0 362.188 FG 3.325 0 Mild ref FGEBRN C=C(C)C(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F COC(=O)[C@@H](C)c1ccc2cc(OC(=O)CBr)ccc2c1 ZINC000114080626 34/75/17/495347517 KTFXVIASZNAEON-JTQLQIEISA-N 0 351.196 FG 3.417 0 Anodyne ref FGABRN COC(=O)[C@@H](C)c1ccc2cc(OC(=O)CBr)ccc2c1 COC(=O)[C@H](C)c1ccc2cc(OC(=O)CBr)ccc2c1 ZINC000114080627 34/76/03/495347603 KTFXVIASZNAEON-SNVBAGLBSA-N 0 351.196 FG 3.417 0 Anodyne ref FGABRN COC(=O)[C@H](C)c1ccc2cc(OC(=O)CBr)ccc2c1 O=C(O)CCCCCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000247425665 85/69/60/496856960 SJVKODBBFQHRII-INIZCTEOSA-N -1 369.417 FG 3.395 0 Anodyne ref FGABRM O=C([O-])CCCCCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 O=C(O)CCCCCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000247425672 85/69/54/496856954 SJVKODBBFQHRII-MRXNPFEDSA-N -1 369.417 FG 3.395 0 Anodyne ref FGABRM O=C([O-])CCCCCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 CC(=O)Oc1ccc(-c2coc3cc(OCC(=O)O)c(C)cc3c2=O)cc1 ZINC000263583527 11/85/71/527118571 HHMDZPJLTJICBS-UHFFFAOYSA-N -1 368.341 FG 3.157 0 Anodyne ref FGABRM CC(=O)Oc1ccc(-c2coc3cc(OCC(=O)[O-])c(C)cc3c2=O)cc1