COC1=CC(=O)C[C@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000000537809 88/13/43/203881343 DDUHZTYCFQRHIY-WNWIJWBNSA-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 COC1=CC(=O)C[C@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000000622120 30/57/81/219305781 DDUHZTYCFQRHIY-QPFGOUBPSA-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 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 COC1=CC(=O)C[C@@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000000622126 25/17/81/210251781 DDUHZTYCFQRHIY-CQLKUDPESA-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 COC(=O)c1c(N)n(-c2ccc(C(=O)O)cc2)c2nc3ccccc3nc12 ZINC000000636262 25/47/35/210254735 ZCHXWRCUBRKXLO-UHFFFAOYSA-N -1 362.345 FF 2.641 0 Anodyne ref FFAARM COC(=O)c1c(N)n(-c2ccc(C(=O)[O-])cc2)c2nc3ccccc3nc12 O=C(O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000000721098 26/60/32/210266032 BONASGVJJHRBTP-UHFFFAOYSA-N -1 351.24 FF 2.842 0 Anodyne ref FFAARM O=C([O-])c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC ZINC000000754232 23/01/78/506230178 JLKKXFLIQLNLAN-YJBOKZPZSA-N -1 352.39 FF 2.873 3 Anodyne high FFAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1OC in-vitro biogenic COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC ZINC000000754232 23/01/74/506230174 JLKKXFLIQLNLAN-YJBOKZPZSA-N 0 352.39 FF 2.873 0 Anodyne ref FFAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1OC in-vitro biogenic COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC ZINC000000754233 23/02/13/506230213 JLKKXFLIQLNLAN-MAUKXSAKSA-N -1 352.39 FF 2.873 3 Anodyne high FFAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1OC in-vitro biogenic COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC ZINC000000754233 23/02/11/506230211 JLKKXFLIQLNLAN-MAUKXSAKSA-N 0 352.39 FF 2.873 0 Anodyne ref FFAARN COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1OC in-vitro biogenic COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OC)c1 ZINC000000754339 31/82/83/219318283 TWSTVZBEFBQGQE-WMZOPIPTSA-N 0 352.39 FF 2.873 2 Anodyne low FFAALN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)c(OC)c1 COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OC)c1 ZINC000000754339 31/82/80/219318280 TWSTVZBEFBQGQE-WMZOPIPTSA-N -1 352.39 FF 2.873 0 Anodyne ref FFAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)c(OC)c1 COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OC)c1 ZINC000000754340 31/76/93/219317693 TWSTVZBEFBQGQE-FUHWJXTLSA-N 0 352.39 FF 2.873 2 Anodyne low FFAALN COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)c(OC)c1 COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OC)c1 ZINC000000754340 31/76/90/219317690 TWSTVZBEFBQGQE-FUHWJXTLSA-N -1 352.39 FF 2.873 0 Anodyne ref FFAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)c(OC)c1 Cc1c(C=O)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000000780722 23/12/50/506231250 BUVBGYOEHGHWAV-UHFFFAOYSA-N 0 350.374 FF 2.807 0 Anodyne ref FFAARN Cc1c(C=O)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2 COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1 ZINC000000781590 23/22/44/506232244 AJCKWNSXFRBQSE-UHFFFAOYSA-N -1 356.241 FF 2.936 3 Anodyne high FFAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1 COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1 ZINC000000781590 23/22/33/506232233 AJCKWNSXFRBQSE-UHFFFAOYSA-N 0 356.241 FF 2.936 0 Anodyne ref FFAARN COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1 O=C1CCCCCN1C(=O)c1cccc(C(=O)N2CCCCCC2=O)c1 ZINC000000826900 95/54/77/203955477 HXZRLUTUNSQNCG-UHFFFAOYSA-N 0 356.422 FF 2.772 0 Anodyne ref FFAARN O=C1CCCCCN1C(=O)c1cccc(C(=O)N2CCCCCC2=O)c1 O=S1(=O)N=C(Nc2ccc(O)c(CN3CCCCC3)c2)c2ccccc21 ZINC000000872512 23/64/88/506236488 UOWOGGFKPZGUTH-UHFFFAOYSA-N 1 371.462 FF 2.939 0 Clean ref FFCARO O=S1(=O)N=C(Nc2ccc(O)c(C[NH+]3CCCCC3)c2)c2ccccc21 Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 ZINC000000901254 17/97/91/560179791 MQUQNUAYKLCRME-INIZCTEOSA-N 0 351.855 FF 2.693 0 Reactive ref FFGARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 aggregator in-vitro CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(N)=O)C1 ZINC000000908713 28/80/92/210288092 WQRIMHPJBNLIPB-VIFPVBQESA-N -1 352.456 FF 2.801 0 Anodyne ref FFAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(N)=O)C1 CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(N)=O)C1 ZINC000000908714 84/53/31/206845331 WQRIMHPJBNLIPB-SECBINFHSA-N -1 352.456 FF 2.801 0 Anodyne ref FFAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(N)=O)C1 CCOC(=O)/C(=N\Nc1sc2c(c1C(=O)OCC)CCCC2)C(C)=O ZINC000000977795 29/74/34/210297434 KSUMQUCXGNUEKT-JXAWBTAJSA-N -1 366.439 FF 2.724 3 Mild high FFEAHM CCOC(=O)C(=N[N-]c1sc2c(c1C(=O)OCC)CCCC2)C(C)=O CCOC(=O)/C(=N\Nc1sc2c(c1C(=O)OCC)CCCC2)C(C)=O ZINC000000977795 29/74/31/210297431 KSUMQUCXGNUEKT-JXAWBTAJSA-N 0 366.439 FF 2.724 0 Mild ref FFEARN CCOC(=O)c1c(N=NC(C(C)=O)C(=O)OCC)sc2c1CCCC2 CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cn(C)nc3C)nc12 ZINC000001071560 36/42/04/219364204 ZPYKJKNYUIHCIT-UHFFFAOYSA-N 0 353.304 FF 2.634 0 Anodyne ref FFAARN CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cn(C)nc3C)nc12 COc1ccc(C=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000001088624 36/70/92/219367092 HLUMMWOBUTUHOW-UHFFFAOYSA-N 0 354.16 FF 2.732 0 Bother ref FFBARN COc1ccc(C=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C O=C(O)[C@@H]1COCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000001420802 35/16/59/210351659 CJVIYWXADATNKP-SFHVURJKSA-N -1 353.374 FF 2.721 0 Anodyne ref FFAARM O=C([O-])[C@@H]1COCCN1C(=O)OCC1c2ccccc2-c2ccccc21 O=C(O)[C@H]1COCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000001420803 88/10/41/206881041 CJVIYWXADATNKP-GOSISDBHSA-N -1 353.374 FF 2.721 0 Anodyne ref FFAARM O=C([O-])[C@H]1COCCN1C(=O)OCC1c2ccccc2-c2ccccc21 CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 ZINC000001482950 26/45/90/506264590 IRNJSRAGRIZIHD-KRWDZBQOSA-N 0 370.43 FF 2.8 2 Anodyne low FFAALN CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 investigational CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 ZINC000001482950 26/45/84/506264584 IRNJSRAGRIZIHD-KRWDZBQOSA-N -1 370.43 FF 2.8 0 Anodyne ref FFAARM CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc1 investigational CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2C(=O)O)CC1 ZINC000001495009 01/12/89/204011289 OFHZVQJKTJTTOH-UHFFFAOYSA-N -1 369.439 FF 2.558 0 Anodyne ref FFAARM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 COC(=O)COc1c(-c2nc(OC)cc(OC)n2)sc2ccccc12 ZINC000001495016 26/44/97/506264497 YUBMCLFMHONIQV-UHFFFAOYSA-N 0 360.391 FF 2.927 0 Anodyne ref FFAARN COC(=O)COc1c(-c2nc(OC)cc(OC)n2)sc2ccccc12 CC(C)(C)NC[C@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 ZINC000001542905 41/00/28/219410028 BHIAIPWSVYSKJS-VIFPVBQESA-N 1 371.553 FF 2.812 0 Anodyne ref FFAARO CC(C)(C)[NH2+]C[C@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 world O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000001678265 89/25/46/206892546 VWHKODOUMSMUAF-KRWDZBQOSA-N -1 371.389 FF 2.89 0 Anodyne ref FFAARM O=C([O-])CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 in-vitro CC(C)(C)NC[C@@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 ZINC000001846151 26/82/64/506268264 BHIAIPWSVYSKJS-SECBINFHSA-N 1 371.553 FF 2.812 0 Anodyne ref FFAARO CC(C)(C)[NH2+]C[C@@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 world O=C(O)C[C@@H](NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001884653 27/08/14/506270814 QVAURIZCXYLCEN-CYBMUJFWSA-N 0 356.3 FF 2.87 1 Anodyne mid FFAAMN O=C([O-])C[C@@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 O=C(O)C[C@@H](NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001884653 27/08/10/506270810 QVAURIZCXYLCEN-CYBMUJFWSA-N -1 356.3 FF 2.87 0 Anodyne ref FFAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 O=C(O)C[C@H](NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001884654 37/39/97/210373997 QVAURIZCXYLCEN-ZDUSSCGKSA-N 0 356.3 FF 2.87 1 Anodyne mid FFAAMN O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 O=C(O)C[C@H](NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001884654 37/39/92/210373992 QVAURIZCXYLCEN-ZDUSSCGKSA-N -1 356.3 FF 2.87 0 Anodyne ref FFAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC ZINC000002021799 27/09/51/506270951 GUJRSXAPGDDABA-NSHDSACASA-N 0 371.275 FF 2.68 3 Anodyne high FFAAHN CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC world CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC ZINC000002021799 27/09/49/506270949 GUJRSXAPGDDABA-NSHDSACASA-N 1 371.275 FF 2.68 1 Anodyne mid FFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC world CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC ZINC000002021799 27/09/44/506270944 GUJRSXAPGDDABA-NSHDSACASA-N 1 371.275 FF 2.68 0 Anodyne ref FFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC world 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 COc1cccc(/C=C2/Oc3cc(OCC(=O)O)ccc3C2=O)c1OC ZINC000002131619 27/16/17/506271617 GPULRKODCUQIRB-LZYBPNLTSA-N -1 356.33 FF 2.783 0 Mild ref FFEARM COc1cccc(/C=C2/Oc3cc(OCC(=O)[O-])ccc3C2=O)c1OC CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002142320 27/20/94/506272094 KWURALNTHDDNSZ-UHFFFAOYSA-N 0 363.391 FF 2.624 0 Anodyne ref FFAARN CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2Cl)cc1 ZINC000002142324 27/28/64/506272864 APKFKBCBFRKIRG-UHFFFAOYSA-N 0 353.783 FF 2.879 0 Anodyne ref FFAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2Cl)cc1 CCOC(=O)COc1c(Br)cc(C=O)cc1Br ZINC000002143817 02/73/60/204027360 CNUPDZSQOBIKGV-UHFFFAOYSA-N 0 366.005 FF 2.966 0 Anodyne ref FFAARN CCOC(=O)COc1c(Br)cc(C=O)cc1Br Cc1c(CC(=O)O)c(=O)oc2cc(O[C@H](C(=O)O)c3ccccc3)ccc12 ZINC000002146782 42/98/97/219429897 NQHVNLINTKEZCO-SFHVURJKSA-N -2 368.341 FF 2.933 0 Anodyne ref FFAARL Cc1c(CC(=O)[O-])c(=O)oc2cc(O[C@H](C(=O)[O-])c3ccccc3)ccc12 Cc1c(CC(=O)O)c(=O)oc2cc(O[C@@H](C(=O)O)c3ccccc3)ccc12 ZINC000002146791 80/00/13/206800013 NQHVNLINTKEZCO-GOSISDBHSA-N -2 368.341 FF 2.933 0 Anodyne ref FFAARL Cc1c(CC(=O)[O-])c(=O)oc2cc(O[C@@H](C(=O)[O-])c3ccccc3)ccc12 Cc1cc(I)cc(CN(C)CCCN(C)C)c1O ZINC000002390008 03/68/17/204036817 GFSRNGJEVLAEDY-UHFFFAOYSA-N 2 362.255 FF 2.689 1 Clean mid FFCAMP Cc1cc(I)cc(C[N@H+](C)CCC[NH+](C)C)c1O Cc1cc(I)cc(CN(C)CCCN(C)C)c1O ZINC000002390008 03/68/15/204036815 GFSRNGJEVLAEDY-UHFFFAOYSA-N 2 362.255 FF 2.689 1 Clean mid FFCAMP Cc1cc(I)cc(C[N@@H+](C)CCC[NH+](C)C)c1O Cc1cc(I)cc(CN(C)CCCN(C)C)c1O ZINC000002390008 03/68/11/204036811 GFSRNGJEVLAEDY-UHFFFAOYSA-N 1 362.255 FF 2.689 0 Clean ref FFCARO Cc1cc(I)cc(CN(C)CCC[NH+](C)C)c1O O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000002545095 28/37/91/506283791 VWHKODOUMSMUAF-QGZVFWFLSA-N -1 371.389 FF 2.89 0 Anodyne ref FFAARM O=C([O-])CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 in-vitro CCS(=O)(=O)c1nc(-c2ccc(OC)c(OC)c2)cc(C(F)F)n1 ZINC000002554172 92/12/86/206921286 VUSKUPBFBOLDLM-UHFFFAOYSA-N 0 358.366 FF 2.892 0 Anodyne ref FFAARN CCS(=O)(=O)c1nc(-c2ccc(OC)c(OC)c2)cc(C(F)F)n1 Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(N2CCC(C(=O)O)CC2)n1 ZINC000002554407 38/37/44/132383744 LICIBPPTMBEYGT-UHFFFAOYSA-N -1 369.347 FF 2.505 0 Anodyne ref FFAARM Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(N2CCC(C(=O)[O-])CC2)n1 Cc1c(-c2cc(C(F)(F)F)nc(N3CCC[C@@H](C(=O)O)C3)n2)cnn1C ZINC000002554457 38/37/15/132383715 FBKHJUWWJBKNBG-SNVBAGLBSA-N -1 369.347 FF 2.505 0 Anodyne ref FFAARM Cc1c(-c2cc(C(F)(F)F)nc(N3CCC[C@@H](C(=O)[O-])C3)n2)cnn1C N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002560767 28/28/24/506282824 UZQSWMYLYLRAMJ-SFHVURJKSA-N 0 354.406 FF 2.717 0 Anodyne ref FFAARN [NH3+][C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] Cc1c(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cnn1C ZINC000002564229 40/67/50/210406750 LXHWKFVCAFOXDZ-UHFFFAOYSA-N 0 355.345 FF 2.705 0 Anodyne ref FFAARN Cc1c(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cnn1C CN(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002583144 28/36/19/506283619 MLHXMAJLOUQRJN-SFHVURJKSA-N -1 354.406 FF 2.54 3 Anodyne high FFAAHM CN(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] CN(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002583144 28/36/16/506283616 MLHXMAJLOUQRJN-SFHVURJKSA-N 0 354.406 FF 2.54 0 Anodyne ref FFAARN C[NH+](C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] CC(C)(O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002583267 45/01/41/219450141 KIOMNBRJPAICIT-KRWDZBQOSA-N -1 355.39 FF 2.749 0 Anodyne ref FFAARM CC(C)(O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] CC(C)(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002583269 04/51/80/204045180 KIOMNBRJPAICIT-QGZVFWFLSA-N -1 355.39 FF 2.749 0 Anodyne ref FFAARM CC(C)(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] CC(C)[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000002583275 04/55/02/204045502 LYRGLIQVUMAZJU-RBUKOAKNSA-N -1 369.417 FF 2.995 0 Anodyne ref FFAARM CC(C)[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] CCOC(=O)COc1c(Br)cc(Br)cc1C=O ZINC000002771111 05/59/07/204055907 AKKJWFPSPJAPGY-UHFFFAOYSA-N 0 366.005 FF 2.966 0 Anodyne ref FFAARN CCOC(=O)COc1c(Br)cc(Br)cc1C=O CC(C)(C)c1csc(NC(=O)[C@@H](CC(=O)O)NCc2ccco2)n1 ZINC000002857246 29/88/26/506298826 DEQDDVZZYFDHPD-LLVKDONJSA-N 0 351.428 FF 2.605 1 Anodyne mid FFAAMN CC(C)(C)c1csc(NC(=O)[C@@H](CC(=O)[O-])[NH2+]Cc2ccco2)n1 CC(C)(C)c1csc(NC(=O)[C@@H](CC(=O)O)NCc2ccco2)n1 ZINC000002857246 29/88/20/506298820 DEQDDVZZYFDHPD-LLVKDONJSA-N -1 351.428 FF 2.605 0 Anodyne ref FFAARM CC(C)(C)c1csc(NC(=O)[C@@H](CC(=O)[O-])NCc2ccco2)n1 CC(C)(C)c1csc(NC(=O)[C@H](CC(=O)O)NCc2ccco2)n1 ZINC000002857247 29/89/40/506298940 DEQDDVZZYFDHPD-NSHDSACASA-N 0 351.428 FF 2.605 1 Anodyne mid FFAAMN CC(C)(C)c1csc(NC(=O)[C@H](CC(=O)[O-])[NH2+]Cc2ccco2)n1 CC(C)(C)c1csc(NC(=O)[C@H](CC(=O)O)NCc2ccco2)n1 ZINC000002857247 29/89/32/506298932 DEQDDVZZYFDHPD-NSHDSACASA-N -1 351.428 FF 2.605 0 Anodyne ref FFAARM CC(C)(C)c1csc(NC(=O)[C@H](CC(=O)[O-])NCc2ccco2)n1 O=C(O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000003025605 30/77/85/506307785 BUTBMLDLLOBSFI-UHFFFAOYSA-N -2 356.197 FF 2.948 1 Anodyne mid FFAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 O=C(O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000003025605 30/77/82/506307782 BUTBMLDLLOBSFI-UHFFFAOYSA-N -1 356.197 FF 2.948 0 Anodyne ref FFAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 O=C(O)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 ZINC000003025607 30/73/22/506307322 UKBZHPSKGDTQKI-LLVKDONJSA-N -2 374.212 FF 2.536 3 Anodyne high FFAAHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccco1 O=C(O)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 ZINC000003025607 30/73/10/506307310 UKBZHPSKGDTQKI-LLVKDONJSA-N -1 374.212 FF 2.536 0 Anodyne ref FFAARM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 O=C(O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 ZINC000003025609 44/55/35/210445535 UKBZHPSKGDTQKI-NSHDSACASA-N -2 374.212 FF 2.536 3 Anodyne high FFAAHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccco1 O=C(O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 ZINC000003025609 44/55/28/210445528 UKBZHPSKGDTQKI-NSHDSACASA-N -1 374.212 FF 2.536 0 Anodyne ref FFAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccco1 CCOC(=O)C(Cc1cc(C(C)=O)ccc1OC(C)C)C(=O)OCC ZINC000003093370 48/64/16/219486416 NBOWACXEHOYOEI-UHFFFAOYSA-N 0 350.411 FF 2.961 0 Anodyne ref FFAARN CCOC(=O)C(Cc1cc(C(C)=O)ccc1OC(C)C)C(=O)OCC CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 ZINC000003784715 35/00/27/506350027 IRNJSRAGRIZIHD-QGZVFWFLSA-N 0 370.43 FF 2.8 2 Anodyne low FFAALN CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 investigational CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 ZINC000003784715 35/00/23/506350023 IRNJSRAGRIZIHD-QGZVFWFLSA-N -1 370.43 FF 2.8 0 Anodyne ref FFAARM CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1 investigational O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000003821675 99/16/31/206991631 ZLHZLMOSPGACSZ-NSHDSACASA-N 0 359.26 FF 2.668 0 Bother ref FFBARN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 investigational CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 ZINC000003827029 34/99/39/506349939 OQAHHWOPVDDWHD-INIZCTEOSA-N 0 360.454 FF 2.554 0 Anodyne ref FFAARN CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 in-vivo CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 ZINC000003875028 49/58/73/210495873 LOGJQOUIVKBFGH-YBEGLDIGSA-N 0 371.462 FF 2.637 0 Anodyne ref FFAARN CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 aggregator in-vivo 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 CC(C)C[C@@H](C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O ZINC000003882104 35/13/29/506351329 UXIZELYFPCMPQX-YWZLYKJASA-N -1 369.421 FF 2.703 0 Anodyne ref FFAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O O=C(O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000003913712 35/26/42/506352642 DAMIVDVDDJTNJK-UHFFFAOYSA-N -1 350.422 FF 2.96 3 Anodyne high FFAAHM O=C([O-])C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 O=C(O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000003913712 35/26/30/506352630 DAMIVDVDDJTNJK-UHFFFAOYSA-N 0 350.422 FF 2.96 0 Anodyne ref FFAARN O=C([O-])C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003977785 35/29/82/506352982 BLGXFZZNTVWLAY-DIRVCLHFSA-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 biogenic in-vivo COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003977785 35/29/76/506352976 BLGXFZZNTVWLAY-DIRVCLHFSA-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 biogenic in-vivo COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 ZINC000003977785 35/29/60/506352960 BLGXFZZNTVWLAY-DIRVCLHFSA-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 biogenic in-vivo CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 ZINC000003982174 35/33/45/506353345 HWKROQUZSKPIKQ-MRXNPFEDSA-N 0 352.5 FF 2.667 3 Anodyne high FFAAHN CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc([O-])c2)CC1 in-vivo CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 ZINC000003982174 35/33/33/506353333 HWKROQUZSKPIKQ-MRXNPFEDSA-N 1 352.5 FF 2.667 0 Anodyne ref FFAARO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 in-vivo CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]2O[C@H](c3ccccc3)O[C@H]12 ZINC000004015521 35/45/50/506354550 VGLOFWHLPMVSBF-OGNRNXDYSA-N 0 370.401 FF 2.955 0 Anodyne ref FFAARN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]2O[C@H](c3ccccc3)O[C@H]12 CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2O[C@H](c3ccccc3)O[C@H]12 ZINC000004015522 50/33/73/210503373 VGLOFWHLPMVSBF-XITMGRHOSA-N 0 370.401 FF 2.955 0 Anodyne ref FFAARN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2O[C@H](c3ccccc3)O[C@H]12 in-vitro CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@H]12 ZINC000004015523 53/38/76/219533876 VGLOFWHLPMVSBF-YJUFFEMBSA-N 0 370.401 FF 2.955 0 Anodyne ref FFAARN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@H]12 CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@H]12 ZINC000004015524 11/78/92/204117892 VGLOFWHLPMVSBF-RQMSYUQLSA-N 0 370.401 FF 2.955 0 Anodyne ref FFAARN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@H]12