COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000000622123 30/58/23/219305823 DDUHZTYCFQRHIY-RBHXEPJQSA-N 0 352.77 FF 2.81 0 Mild ref FFEARN COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O fda biogenic COc1ccc(-c2cc3ccc(OCC(=O)O)cc3oc2=O)cc1OC ZINC000001237887 25/62/56/506256256 CUBJYGSQJQQUNX-UHFFFAOYSA-N -1 356.33 FF 2.941 0 Anodyne ref FFAARM COc1ccc(-c2cc3ccc(OCC(=O)[O-])cc3oc2=O)cc1OC COc1c(C=O)c(CCN(C)C(=O)c2ccc(F)cc2)cc2c1OCO2 ZINC000002077822 02/64/76/204026476 DLJSYZUXSVIVFJ-UHFFFAOYSA-N 0 359.353 FF 2.69 0 Anodyne ref FFAARN COc1c(C=O)c(CCN(C)C(=O)c2ccc(F)cc2)cc2c1OCO2 O=C(O)CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000002083255 27/05/83/506270583 LCHWSKYUXRJEFA-CVUDBVLYSA-N -1 364.401 FF 2.605 0 Anodyne ref FFAARM O=C([O-])CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)NCC2 ZINC000002099770 02/66/74/204026674 UGOVBXCSQHMXPG-IBGZPJMESA-N 0 359.422 FF 2.965 1 Anodyne mid FFAAMN COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)NCC2 COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)NCC2 ZINC000002099770 02/66/69/204026669 UGOVBXCSQHMXPG-IBGZPJMESA-N 1 359.422 FF 2.965 0 Anodyne ref FFAARO COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[NH2+]CC2 COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)NCC2 ZINC000002099771 27/26/99/506272699 UGOVBXCSQHMXPG-LJQANCHMSA-N 0 359.422 FF 2.965 1 Anodyne mid FFAAMN COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)NCC2 COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)NCC2 ZINC000002099771 27/26/94/506272694 UGOVBXCSQHMXPG-LJQANCHMSA-N 1 359.422 FF 2.965 0 Anodyne ref FFAARO COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[NH2+]CC2 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003860825 34/98/10/506349810 BLGXFZZNTVWLAY-SCYLSFHTSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 world biogenic COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003860825 34/98/08/506349808 BLGXFZZNTVWLAY-SCYLSFHTSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 world biogenic COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003860825 34/98/03/506349803 BLGXFZZNTVWLAY-SCYLSFHTSA-N 1 354.45 FF 2.647 0 Anodyne ref FFAARO COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 world biogenic c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2 ZINC000003861212 34/97/48/506349748 YSSSPARMOAYJTE-UHFFFAOYSA-N 0 360.406 FF 2.949 0 Anodyne ref FFAARN c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2 in-vitro CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 ZINC000003872132 11/33/11/204113311 NNJPGOLRFBJNIW-HNNXBMFYSA-N 1 371.433 FF 2.955 0 Anodyne ref FFAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 in-man biogenic COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003881666 11/31/13/204113113 BLGXFZZNTVWLAY-FJDMERLMSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@@H](O)CC[C@@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 in-vitro COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003881666 11/31/09/204113109 BLGXFZZNTVWLAY-FJDMERLMSA-N 1 354.45 FF 2.647 1 Anodyne mid FFAAMO COC(=O)[C@H]1[C@@H](O)CC[C@@H]2C[N@@H+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 in-vitro COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003881666 11/31/04/204113104 BLGXFZZNTVWLAY-FJDMERLMSA-N 0 354.45 FF 2.647 0 Anodyne ref FFAARN COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 in-vitro O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000003882093 35/09/54/506350954 LSPKXTPMGZZIKV-INIZCTEOSA-N 0 363.373 FF 2.607 0 Anodyne ref FFAARN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCCO2 O=C(O)c1cc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])ccc1O ZINC000003882643 35/21/22/506352122 HPIVJUMOUVQKMR-UHFFFAOYSA-N -1 350.674 FF 2.932 0 Bother ref FFBARM O=C([O-])c1cc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])ccc1O C1CC[C@H]2OCCOCCO[C@@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 ZINC000003896102 35/22/67/506352267 BBGKDYHZQOSNMU-WTGUMLROSA-N 0 372.502 FF 2.722 0 Anodyne ref FFAARN C1CC[C@H]2OCCOCCO[C@@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 C1CC[C@H]2OCCOCCO[C@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 ZINC000003896104 11/39/61/204113961 BBGKDYHZQOSNMU-JVSBHGNQSA-N 0 372.502 FF 2.722 0 Anodyne ref FFAARN C1CC[C@H]2OCCOCCO[C@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 C1CC[C@@H]2OCCOCCO[C@H]3CCCC[C@@H]3OCCOCCO[C@H]2C1 ZINC000005631039 21/87/71/204218771 BBGKDYHZQOSNMU-MUGJNUQGSA-N 0 372.502 FF 2.722 0 Anodyne ref FFABRN C1CC[C@@H]2OCCOCCO[C@H]3CCCC[C@@H]3OCCOCCO[C@H]2C1 O=C(O)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000008990891 67/54/58/506675458 CFSRMUFHIBSPNJ-UHFFFAOYSA-N -1 352.368 FF 2.934 2 Anodyne low FFAALM O=C([O-])c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 O=C(O)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000008990891 67/54/45/506675445 CFSRMUFHIBSPNJ-UHFFFAOYSA-N -2 352.368 FF 2.934 0 Anodyne ref FFAARL O=C([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)O)cc3s2)cc1 ZINC000008992968 25/36/40/207253640 NAMGURZUPAOOGA-UHFFFAOYSA-N -1 364.404 FF 2.804 2 Anodyne low FFAALM COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)[O-])cc3s2)cc1 COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)O)cc3s2)cc1 ZINC000008992968 25/36/33/207253633 NAMGURZUPAOOGA-UHFFFAOYSA-N -2 364.404 FF 2.804 0 Anodyne ref FFAARL COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)[O-])cc3s2)cc1 O=C(N[C@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 ZINC000009330880 69/13/23/506691323 ALLWOAVDORUJLA-MRXNPFEDSA-N -1 370.792 FF 2.607 0 Anodyne ref FFAARM O=C(N[C@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)[O-])c1ccc(Cl)cc1 world C1CC[C@@H]2OCCOCCO[C@@H]3CCCC[C@@H]3OCCOCCO[C@H]2C1 ZINC000012243843 44/62/47/204446247 BBGKDYHZQOSNMU-LWYYNNOASA-N 0 372.502 FF 2.722 0 Anodyne ref FFAARN C1CC[C@@H]2OCCOCCO[C@@H]3CCCC[C@@H]3OCCOCCO[C@H]2C1 C1CC[C@@H]2OCCOCCO[C@@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 ZINC000012243844 35/07/49/207350749 BBGKDYHZQOSNMU-XLLXOSNRSA-N 0 372.502 FF 2.722 0 Anodyne ref FFAARN C1CC[C@@H]2OCCOCCO[C@@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 COc1ccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c(OC)c1 ZINC000012890013 23/36/52/210233652 LTASRECSFOJROM-IDUWFGFVSA-N -1 356.33 FF 2.783 0 Mild ref FFEARM COc1ccc(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)c(OC)c1 COc1ccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)cc1OC ZINC000012890027 03/91/34/220039134 OYUZJJUVKBNAII-IUXPMGMMSA-N -1 356.33 FF 2.783 0 Mild ref FFEARM COc1ccc(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)cc1OC in-vitro COc1cccc(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c1OC ZINC000012890127 91/11/31/506911131 GPULRKODCUQIRB-PXNMLYILSA-N -1 356.33 FF 2.783 0 Mild ref FFEARM COc1cccc(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)c1OC COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)O)ccc3C2=O)c1 ZINC000012890135 91/11/58/506911158 HYEAJWVKPRJCBG-IUXPMGMMSA-N -1 356.33 FF 2.783 0 Mild ref FFEARM COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)c1 COC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000012900482 00/50/34/211005034 PNBQTDFEVPYLAB-UHFFFAOYSA-N 0 358.39 FF 2.937 0 Anodyne ref FFAARN COC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3 ZINC000019204597 20/71/38/211207138 HYBRYAPKQCZIAE-UHFFFAOYSA-N 0 369.417 FF 2.846 0 Anodyne ref FFAARN COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3 in-vitro biogenic COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(OC)c2)N1 ZINC000034857850 37/18/97/506371897 NUBFFNNCFFBKKI-QFBILLFUSA-N 0 366.417 FF 2.962 0 Anodyne ref FFAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(OC)c2)N1 COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(OC)c2)N1 ZINC000034857851 37/27/40/506372740 NUBFFNNCFFBKKI-LPHOPBHVSA-N 0 366.417 FF 2.962 0 Anodyne ref FFAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(OC)c2)N1 CC(C)n1cnc(I)c1I ZINC000036047660 39/43/83/506394383 DAWGGCQDOJIJFC-UHFFFAOYSA-N 0 361.952 FF 2.673 0 Anodyne ref FFAARN CC(C)n1cnc(I)c1I CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000084403367 27/75/40/508277540 PVHUJELLJLJGLN-INIZCTEOSA-N 0 360.366 FF 2.566 0 Bother ref FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 world Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1C(=O)O ZINC000096113658 03/10/84/222031084 IMJPFAVDWLRBKV-KGLIPLIRSA-N -1 367.405 FF 2.506 0 Anodyne ref FFAARM Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1C(=O)[O-] Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1C(=O)O ZINC000098063878 22/42/48/222224248 IMJPFAVDWLRBKV-UONOGXRCSA-N -1 367.405 FF 2.506 0 Anodyne ref FFAARM Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1C(=O)[O-] CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100001908 23/15/70/222231570 PVHUJELLJLJGLN-MRXNPFEDSA-N 0 360.366 FF 2.566 0 Bother ref FFBARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 world O=c1oc2ccccc2c(NCCN2CCNCC2)c1Cc1ccccc1 ZINC000100481169 24/56/21/222245621 IGQOAACFNBMFKH-UHFFFAOYSA-N 1 363.461 FF 2.701 0 Anodyne ref FFAARO O=c1oc2ccccc2c(NCCN2CC[NH2+]CC2)c1Cc1ccccc1 O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Oc5ccccc5)cc4)C(=O)[C@H]13)O2 ZINC000100917751 25/65/62/222256562 NWJPRZDCURYBDX-DCXXXQMHSA-N -1 363.369 FF 2.85 0 Anodyne ref FFABRM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Oc5ccccc5)cc4)C(=O)[C@H]13)O2