O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000717956 23/03/33/506230333 XZDAWXYZDBMQMI-UHFFFAOYSA-N -1 363.41 FF 2.633 0 Anodyne ref FFAARM O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 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 O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000783201 32/05/14/219320514 MWSUIZKGNWELRF-UHFFFAOYSA-N 0 361.612 FF 2.649 0 Anodyne ref FFAARN O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 in-vitro O=C(O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000000816923 23/39/53/506233953 NRZLNHKNFJGXHG-UHFFFAOYSA-N -1 359.325 FF 2.985 0 Anodyne ref FFAARM O=C([O-])CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(C)cc1 ZINC000000817057 23/40/98/506234098 NSQOHUSWNSWJSB-UHFFFAOYSA-N 0 363.435 FF 2.762 0 Anodyne ref FFAARN CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(C)cc1 COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000000827493 95/48/42/203954842 JMZPVQJYZVOLNK-UHFFFAOYSA-N 0 363.435 FF 2.68 0 Anodyne ref FFAARN COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000827586 32/80/74/219328074 MNFLSUZGQQQKDC-UHFFFAOYSA-N 0 363.435 FF 2.762 0 Anodyne ref FFAARN CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)cc2)cc1 COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000000833345 23/57/87/506235787 KGNMJANVZPTMES-UHFFFAOYSA-N 0 369.826 FF 2.717 0 Anodyne ref FFAARN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000836905 32/88/65/219328865 IHLBCCOGPJOUTI-UHFFFAOYSA-N 0 350.352 FF 2.572 1 Bother mid FFBAMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000836905 32/88/63/219328863 IHLBCCOGPJOUTI-UHFFFAOYSA-N 0 350.352 FF 2.572 0 Bother ref FFBARN CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 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(-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 COc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccccc1 ZINC000002907601 30/17/77/506301777 WLCOJLOLYHAWKG-UHFFFAOYSA-N -1 355.799 FF 2.629 0 Anodyne ref FFAARM COc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1 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 CN(C)c1ccc(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000003896959 35/21/42/506352142 ZVDVILJUONZMJX-UHFFFAOYSA-N 0 358.354 FF 2.866 0 Bother ref FFBARN CN(C)c1ccc(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] CCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC ZINC000004077442 35/73/97/506357397 XZQDLVURIRAXAL-UHFFFAOYSA-N 0 350.371 FF 2.907 0 Anodyne ref FFAARN CCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC O=C(O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000004641452 38/68/92/506386892 FVFIDMHABTUZKO-UHFFFAOYSA-N -1 370.224 FF 2.729 0 Anodyne ref FFAARM O=C([O-])CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 O=C(O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000004664611 15/30/10/204153010 XLRYNLAQFRRTLC-PELKAZGASA-N -1 355.272 FF 2.97 0 Anodyne ref FFAARM O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004688559 38/79/79/506387979 BTOUAEVJKDGETI-UHFFFAOYSA-N 0 356.382 FF 2.958 0 Bother ref FFBARN COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 CCOc1ccc(C=O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000004731366 15/94/49/204159449 XJNIESWNUVSWRF-SJORKVTESA-N 0 352.434 FF 2.679 1 Anodyne mid FFAAMN CCOc1ccc(C=O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O CCOc1ccc(C=O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000004731366 15/94/46/204159446 XJNIESWNUVSWRF-SJORKVTESA-N 1 352.434 FF 2.679 1 Anodyne mid FFAAMO CCOc1ccc(C=O)cc1C[N@@H+]1C[C@@H]2C[C@@H](Cn3c2cccc3=O)C1 CCOc1ccc(C=O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000004731366 15/94/44/204159444 XJNIESWNUVSWRF-SJORKVTESA-N 1 352.434 FF 2.679 0 Anodyne ref FFAARO CCOc1ccc(C=O)cc1C[N@H+]1C[C@@H]2C[C@@H](Cn3c2cccc3=O)C1 O=C(O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000004812137 56/56/35/210565635 XLRYNLAQFRRTLC-QPUJVOFHSA-N -1 355.272 FF 2.97 0 Anodyne ref FFAARM O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 O=C(O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000004812138 39/57/33/506395733 XLRYNLAQFRRTLC-PRHODGIISA-N -1 355.272 FF 2.97 0 Anodyne ref FFAARM O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 O=C(O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000004812139 05/02/00/207050200 XLRYNLAQFRRTLC-UFBFGSQYSA-N -1 355.272 FF 2.97 0 Anodyne ref FFAARM O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1Cl ZINC000004852867 05/56/26/207055626 YLZSHXZOUXAYQC-UHFFFAOYSA-N -1 355.799 FF 2.629 0 Anodyne ref FFAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1Cl COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000004977034 41/08/12/506410812 WYDIKHRNIJEKGR-UHFFFAOYSA-N -1 369.826 FF 2.937 0 Anodyne ref FFAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1Cl COc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1 ZINC000005415689 09/95/86/207099586 DCWODOWBOHYQMM-UHFFFAOYSA-N -1 369.826 FF 2.937 0 Anodyne ref FFAARM COc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1 COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2N)CC1 ZINC000006750034 50/20/65/506502065 DDBFRXTXWAOWRN-UHFFFAOYSA-N 0 351.406 FF 2.986 0 Anodyne ref FFAARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2N)CC1 Cc1nnc(N2CCC[C@H](C(=O)O)C2)c2nn(-c3ccccc3)c(C)c12 ZINC000006751582 50/32/91/506503291 FSQMUSFZAPJBLX-AWEZNQCLSA-N -1 351.41 FF 2.733 0 Anodyne ref FFAARM Cc1nnc(N2CCC[C@H](C(=O)[O-])C2)c2nn(-c3ccccc3)c(C)c12 Cc1nnc(N2CCC[C@@H](C(=O)O)C2)c2nn(-c3ccccc3)c(C)c12 ZINC000006751583 50/44/28/506504428 FSQMUSFZAPJBLX-CQSZACIVSA-N -1 351.41 FF 2.733 0 Anodyne ref FFAARM Cc1nnc(N2CCC[C@@H](C(=O)[O-])C2)c2nn(-c3ccccc3)c(C)c12 CCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 ZINC000008433950 33/08/29/204330829 QGDKSFMFDCRKCL-UHFFFAOYSA-N -1 353.33 FF 2.752 0 Anodyne ref FFAARM CCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 Cc1ccc(S(=O)(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 ZINC000008703292 66/27/67/506662767 OJJIYVUWHGDEEP-UHFFFAOYSA-N 0 365.886 FF 2.742 0 Anodyne ref FFAARN Cc1ccc(S(=O)(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 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 COc1ccc(C=O)cc1Cn1nc(C)c(I)c1C ZINC000012355501 36/62/81/207366281 CGSWKTNGCKSNGU-UHFFFAOYSA-N 0 370.19 FF 2.974 0 Anodyne ref FFAARN COc1ccc(C=O)cc1Cn1nc(C)c(I)c1C CC(C)(C)OC(=O)NCCNc1ccc(C(=O)NC2CCCC2)cc1N ZINC000015864721 17/01/00/220170100 ORGYGQGPJNOWID-UHFFFAOYSA-N 0 362.474 FF 2.878 0 Anodyne ref FFAARN CC(C)(C)OC(=O)NCCNc1ccc(C(=O)NC2CCCC2)cc1N COc1cc2c(cc1OC)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000015977309 15/14/53/211151453 LOSARNASPVXQAZ-UHFFFAOYSA-N 0 356.378 FF 2.739 0 Bother ref FFBARN COc1cc2c(cc1OC)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 Cc1n(Cc2ccc([N+](=O)[O-])cc2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000016363240 15/91/60/211159160 FFWBCNBAOBCIRY-UHFFFAOYSA-N 1 353.358 FF 2.997 0 Bother ref FFBARO Cc1n(Cc2ccc([N+](=O)[O-])cc2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000017073862 19/92/92/209199292 SKLJLXPEAOQCQY-UHFFFAOYSA-N 0 357.79 FF 2.847 0 Anodyne ref FFAARN COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000020104180 21/11/55/507211155 CEDGMJITDCEYOW-UHFFFAOYSA-N 1 350.382 FF 2.568 2 Bother low FFBALO Cc1cc(N2CCN(c3ncccn3)CC2)[nH+]c2ccc([N+](=O)[O-])cc12 Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000020104180 21/11/37/507211137 CEDGMJITDCEYOW-UHFFFAOYSA-N 0 350.382 FF 2.568 0 Bother ref FFBARN Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc([N+](=O)[O-])cc12 CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1/C=C/N(C)C ZINC000022607513 39/18/34/220391834 KXOOEFWQTSZVQS-ZHACJKMWSA-N 1 369.4 FF 2.948 2 Anodyne low FFAALO CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1/C=C/[NH+](C)C CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1/C=C/N(C)C ZINC000022607513 39/18/30/220391830 KXOOEFWQTSZVQS-ZHACJKMWSA-N 0 369.4 FF 2.948 0 Anodyne ref FFAARN CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1/C=C/N(C)C COc1ccc(-c2noc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000028929348 75/14/07/507751407 FOPBMPVLUDCXRT-UHFFFAOYSA-N 0 374.441 FF 2.798 0 Anodyne ref FFAARN COc1ccc(-c2noc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 COC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000030822964 00/55/37/208005537 MDOUVAACPOXRMO-UHFFFAOYSA-N 0 359.385 FF 2.974 0 Anodyne ref FFAARN COC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)O)c3ccccc3C(=O)N1CC2 ZINC000032916828 31/27/49/506312749 MXBNJFLOBHEONN-ZWKOTPCHSA-N -1 353.374 FF 2.625 0 Anodyne ref FFAARM COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)[O-])c3ccccc3C(=O)N1CC2 COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)O)c3ccccc3C(=O)N1CC2 ZINC000032916829 05/67/94/208056794 MXBNJFLOBHEONN-ROUUACIJSA-N -1 353.374 FF 2.625 0 Anodyne ref FFAARM COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)[O-])c3ccccc3C(=O)N1CC2 COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)O)c3ccccc3C(=O)N1CC2 ZINC000032916831 31/30/01/506313001 MXBNJFLOBHEONN-QZTJIDSGSA-N -1 353.374 FF 2.625 0 Anodyne ref FFAARM COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)[O-])c3ccccc3C(=O)N1CC2 COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)O)c3ccccc3C(=O)N1CC2 ZINC000032916833 05/67/69/208056769 MXBNJFLOBHEONN-MSOLQXFVSA-N -1 353.374 FF 2.625 0 Anodyne ref FFAARM COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)[O-])c3ccccc3C(=O)N1CC2 O=C(O)C1CCN(C(=O)N2C[C@@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000032918869 31/27/23/506312723 NPDZFXDZGFQORH-KRWDZBQOSA-N -1 367.405 FF 2.938 0 Anodyne ref FFAARM O=C([O-])C1CCN(C(=O)N2C[C@@H](c3ccccc3)Oc3cccnc32)CC1 O=C(O)C1CCN(C(=O)N2C[C@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000032918870 31/25/49/506312549 NPDZFXDZGFQORH-QGZVFWFLSA-N -1 367.405 FF 2.938 0 Anodyne ref FFAARM O=C([O-])C1CCN(C(=O)N2C[C@H](c3ccccc3)Oc3cccnc32)CC1 O=[N+]([O-])c1cc(Nc2ncnc3[nH]nc(Br)c23)ccc1F ZINC000032919176 31/28/81/506312881 QNPJBZYLVWQCAM-UHFFFAOYSA-N 0 353.111 FF 2.906 1 Bother mid FFBAMN O=[N+]([O-])c1cc(Nc2ncnc3[nH]nc(Br)c23)ccc1F O=[N+]([O-])c1cc(Nc2ncnc3[nH]nc(Br)c23)ccc1F ZINC000032919176 31/28/72/506312872 QNPJBZYLVWQCAM-UHFFFAOYSA-N 0 353.111 FF 2.906 0 Bother ref FFBARN O=[N+]([O-])c1cc(Nc2ncnc3n[nH]c(Br)c23)ccc1F CCOC(=O)[C@@H](CCSC)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000032919246 05/70/48/208057048 ZKZFBJOVBPDYPK-CQSZACIVSA-N 0 359.513 FF 2.575 0 Anodyne ref FFAARN CCOC(=O)[C@@H](CCSC)NS(=O)(=O)c1c(C)cc(C)cc1C CCOC(=O)[C@H](CCSC)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000032919248 69/78/95/220697895 ZKZFBJOVBPDYPK-AWEZNQCLSA-N 0 359.513 FF 2.575 0 Anodyne ref FFAARN CCOC(=O)[C@H](CCSC)NS(=O)(=O)c1c(C)cc(C)cc1C COc1ccc(C=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032919311 31/32/59/506313259 QOWWWBHGGSQJQJ-UHFFFAOYSA-N 1 355.394 FF 2.738 2 Bother low FFBALO COc1ccc(C=O)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 COc1ccc(C=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032919311 31/32/54/506313254 QOWWWBHGGSQJQJ-UHFFFAOYSA-N 0 355.394 FF 2.738 0 Bother ref FFBARN COc1ccc(C=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 COC(=O)[C@@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)OC(C)(C)C ZINC000032919518 31/33/99/506313399 PPZUUAMKHWZZRU-ZFWWWQNUSA-N 1 368.861 FF 2.981 1 Anodyne mid FFAAMO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cl)CN1C(=O)OC(C)(C)C COC(=O)[C@@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)OC(C)(C)C ZINC000032919518 31/33/83/506313383 PPZUUAMKHWZZRU-ZFWWWQNUSA-N 0 368.861 FF 2.981 0 Anodyne ref FFAARN COC(=O)[C@@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)OC(C)(C)C CN(CCc1noc(-c2ccc(C(=O)O)cc2)n1)C(=O)c1ccc(F)cc1 ZINC000034927212 11/69/10/208116910 RYMRDWRTIULIBA-UHFFFAOYSA-N -1 369.352 FF 2.889 0 Anodyne ref FFAARM CN(CCc1noc(-c2ccc(C(=O)[O-])cc2)n1)C(=O)c1ccc(F)cc1 Cc1[nH]c(C(=O)N2CCC(CC(=O)O)CC2)c(C)c1C(=O)OC(C)C ZINC000034927242 37/37/52/506373752 IDAKFOPXMUZHIA-UHFFFAOYSA-N -1 350.415 FF 2.524 0 Anodyne ref FFAARM Cc1[nH]c(C(=O)N2CCC(CC(=O)[O-])CC2)c(C)c1C(=O)OC(C)C O=C(O)CCCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000034928894 11/60/59/208116059 ABLRUDJEJGFGLN-UHFFFAOYSA-N -1 374.34 FF 2.801 0 Anodyne ref FFAARM O=C([O-])CCCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 O=C(O)Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000045795966 02/14/76/507021476 UDCYYBFXPPAXOQ-UHFFFAOYSA-N -1 351.337 FF 2.623 0 Anodyne ref FFAARM O=C([O-])Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O O=C(O)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000045795978 02/21/15/507022115 USUVHLIJKLMYCM-UHFFFAOYSA-N -1 363.417 FF 2.746 0 Anodyne ref FFAARM O=C([O-])C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 N#Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000058176613 13/08/35/136130835 DYGFSULILRSVFK-UHFFFAOYSA-N 1 366.377 FF 2.517 2 Mild low FFEALO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 N#Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000058176613 13/08/34/136130834 DYGFSULILRSVFK-UHFFFAOYSA-N 0 366.377 FF 2.517 0 Mild ref FFEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccccc1 ZINC000066324771 24/39/06/221243906 ARXWCVBLYPHVTR-VAWYXSNFSA-N 1 351.41 FF 2.673 2 Anodyne low FFAALO CCc1nn2c(/C=C/[NH+](C)C)c(C(=O)OC)nnc2c1-c1ccccc1 CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccccc1 ZINC000066324771 24/39/03/221243903 ARXWCVBLYPHVTR-VAWYXSNFSA-N 0 351.41 FF 2.673 0 Anodyne ref FFAARN CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccccc1 CCOC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1/C=C/N(C)C ZINC000066324772 24/42/35/221244235 BAPNINMSGHVYCG-MDZDMXLPSA-N 1 355.373 FF 2.639 2 Anodyne low FFAALO CCOC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1/C=C/[NH+](C)C CCOC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1/C=C/N(C)C ZINC000066324772 24/42/33/221244233 BAPNINMSGHVYCG-MDZDMXLPSA-N 0 355.373 FF 2.639 0 Anodyne ref FFAARN CCOC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1/C=C/N(C)C CC(C)(C)OC(=O)NC1CCN(c2ncc(Br)cn2)CC1 ZINC000067368664 25/26/96/221252696 NVIWXGKUOOJQBZ-UHFFFAOYSA-N 0 357.252 FF 2.733 0 Anodyne ref FFAARN CC(C)(C)OC(=O)NC1CCN(c2ncc(Br)cn2)CC1 CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1 ZINC000070461119 61/39/78/507613978 PFDQHCZZUNVQKX-ZHACJKMWSA-N 1 369.4 FF 2.812 2 Anodyne low FFAALO CCc1nn2c(/C=C/[NH+](C)C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1 CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1 ZINC000070461119 61/39/62/507613962 PFDQHCZZUNVQKX-ZHACJKMWSA-N 0 369.4 FF 2.812 0 Anodyne ref FFAARN CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1 COc1cc(-n2cc(C(=O)O)c3ccccc3c2=O)cc(OC)c1OC ZINC000072220552 77/08/94/507770894 VOBNJHBEVPVOHM-UHFFFAOYSA-N -1 355.346 FF 2.715 0 Anodyne ref FFAARM COc1cc(-n2cc(C(=O)[O-])c3ccccc3c2=O)cc(OC)c1OC CCOC(=O)c1cnc2nc(-c3ccc(OC)cc3)nn2c1/C=C/N(C)C ZINC000072406614 78/38/64/507783864 CBCCQNULAJVTJM-ZHACJKMWSA-N 1 367.409 FF 2.509 1 Anodyne mid FFAAMO CCOC(=O)c1cnc2nc(-c3ccc(OC)cc3)nn2c1/C=C/[NH+](C)C CCOC(=O)c1cnc2nc(-c3ccc(OC)cc3)nn2c1/C=C/N(C)C ZINC000072406614 78/38/59/507783859 CBCCQNULAJVTJM-ZHACJKMWSA-N 0 367.409 FF 2.509 0 Anodyne ref FFAARN CCOC(=O)c1cnc2nc(-c3ccc(OC)cc3)nn2c1/C=C/N(C)C O=C(O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000226087276 39/47/69/509394769 SPPJKQWFHDUAMW-UHFFFAOYSA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 O=C(O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000226087292 39/48/27/509394827 CGQKYPMRVCKAJM-UHFFFAOYSA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 O=C(O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000226087308 88/22/25/222882225 FVOIBGCFCVWZLP-UHFFFAOYSA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 O=C(O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000226087325 39/49/25/509394925 QKILOOYOCAGNHF-SECBINFHSA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 O=C(O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000226087340 39/54/62/509395462 QKILOOYOCAGNHF-VIFPVBQESA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 O=C(O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000226087355 39/56/99/509395699 CFWBQGMHJVKTNL-SNVBAGLBSA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 O=C(O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000226087369 88/25/27/222882527 CFWBQGMHJVKTNL-JTQLQIEISA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 O=C(O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000226087391 50/82/98/206508298 ADFGVFHGIGFRKP-SECBINFHSA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 O=C(O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000226087402 88/21/87/222882187 ADFGVFHGIGFRKP-VIFPVBQESA-N -1 352.239 FF 2.62 0 Anodyne ref FFAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)O)Oc3ccc(Cl)cc32)cc1 ZINC000226087906 28/80/05/132288005 RGMOHJSNWVEDIY-HNNXBMFYSA-N -1 367.81 FF 2.689 0 Anodyne ref FFAARM Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])Oc3ccc(Cl)cc32)cc1 Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)O)Oc3ccc(Cl)cc32)cc1 ZINC000226087916 28/78/78/132287878 RGMOHJSNWVEDIY-OAHLLOKOSA-N -1 367.81 FF 2.689 0 Anodyne ref FFAARM Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])Oc3ccc(Cl)cc32)cc1 O=C(O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O ZINC000242495110 28/94/79/132289479 FUYUZJNCIHVLAK-UHFFFAOYSA-N -1 368.208 FF 2.709 0 Anodyne ref FFAARM O=C([O-])CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O CC[C@@H](C(=O)O)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000242498521 89/63/67/209896367 HKFWELCOJPNKEW-JTQLQIEISA-N -1 359.753 FF 2.988 0 Anodyne ref FFAARM CC[C@@H](C(=O)[O-])N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O CC[C@H](C(=O)O)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000242498522 84/68/09/509846809 HKFWELCOJPNKEW-SNVBAGLBSA-N -1 359.753 FF 2.988 0 Anodyne ref FFAARM CC[C@H](C(=O)[O-])N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O