Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 ZINC000000537958 30/50/68/219305068 GNYYVWOTRVNKCO-UHFFFAOYSA-N -1 374.203 FF 2.674 3 Anodyne high FFAAHM Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 in-vivo Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 ZINC000000537958 30/50/65/219305065 GNYYVWOTRVNKCO-UHFFFAOYSA-N 0 374.203 FF 2.674 0 Anodyne ref FFAARN Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 in-vivo Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000000634748 22/46/91/506224691 GWLPAWQBHJVCLE-UHFFFAOYSA-N 0 372.406 FF 2.74 1 Anodyne mid FFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000000634748 22/46/84/506224684 GWLPAWQBHJVCLE-UHFFFAOYSA-N -1 372.406 FF 2.74 0 Anodyne ref FFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 COc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000000636887 25/49/99/210254999 VPMDQOULYWSNGQ-UHFFFAOYSA-N 0 360.435 FF 2.752 0 Anodyne ref FFAARN COc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 O=S(=O)(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000640091 25/43/89/210254389 ISLGMFCNZJGDTA-UHFFFAOYSA-N -1 366.247 FF 2.661 0 Anodyne ref FFAARM O=S(=O)([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 CC(=O)N(C)c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 ZINC000000641539 22/59/76/506225976 LCZXXHNHWKCPGY-UHFFFAOYSA-N 0 357.435 FF 2.561 0 Anodyne ref FFAARN CC(=O)N(C)c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 ZINC000000670458 82/30/96/206823096 WTPCVWMOKFCCEZ-UHFFFAOYSA-N 0 366.158 FF 2.642 0 Anodyne ref FFAARN NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 COc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc(OC)c1OC ZINC000000670524 31/17/05/219311705 ZDCFIZWPIKIQSM-UHFFFAOYSA-N 0 364.423 FF 2.742 0 Anodyne ref FFAARN COc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc(OC)c1OC O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(F)(F)F ZINC000000670531 31/16/08/219311608 PLTSFYXDNLGOQL-UHFFFAOYSA-N 0 350.362 FF 2.752 0 Anodyne ref FFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(F)(F)F O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(F)(F)F ZINC000000670644 82/27/71/206822771 OZIDDVOBVRWJQG-UHFFFAOYSA-N 0 370.352 FF 2.939 0 Anodyne ref FFAARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(F)(F)F CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000000670752 94/07/02/203940702 RKOARPHBJQAXAR-UHFFFAOYSA-N 0 362.451 FF 2.978 0 Anodyne ref FFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000000670753 31/14/71/219311471 AHLCBUQKOJFUBK-UHFFFAOYSA-N 0 362.451 FF 2.735 0 Anodyne ref FFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000670771 22/62/86/506226286 YBRCBUWFVILUJG-UHFFFAOYSA-N 0 374.462 FF 2.661 0 Anodyne ref FFAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 ZINC000000670889 22/66/45/506226645 KUAAHTJIQGUODS-OAHLLOKOSA-N 0 357.406 FF 2.796 0 Mild ref FFEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 ZINC000000670891 31/13/71/219311371 KUAAHTJIQGUODS-HNNXBMFYSA-N 0 357.406 FF 2.796 0 Mild ref FFEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000670916 26/05/61/210260561 VSQCCMPPFPKXEV-HMMYKYKNSA-N 0 374.462 FF 2.857 0 Mild ref FFEARN CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 CCOc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000670924 26/06/61/210260661 QIQAGDSKHXFIDP-HMMYKYKNSA-N 0 374.462 FF 2.857 0 Mild ref FFEARN CCOc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000000670989 31/14/86/219311486 MTNYJKJMGUSYES-UHFFFAOYSA-N 0 350.362 FF 2.608 0 Anodyne ref FFAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000671110 22/84/59/506228459 LVEHLNJSXHYYDH-UHFFFAOYSA-N 0 374.462 FF 2.797 0 Anodyne ref FFAARN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 O=C(COc1ccc2ccccc2c1Br)N1CCOCC1 ZINC000000671144 26/06/94/210260694 SDBAPUKSRFYWLK-UHFFFAOYSA-N 0 350.212 FF 2.84 0 Anodyne ref FFAARN O=C(COc1ccc2ccccc2c1Br)N1CCOCC1 Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000671215 22/77/92/506227792 SAOIUZZZCRDJIE-UHFFFAOYSA-N 0 374.462 FF 2.797 0 Anodyne ref FFAARN Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000000671588 22/84/21/506228421 HWTQPJTXKGKVLR-UHFFFAOYSA-N 0 366.158 FF 2.642 0 Anodyne ref FFAARN NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 CCOC(=O)c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 ZINC000000671766 22/85/72/506228572 DYICRFPYWGIYLB-UHFFFAOYSA-N 0 358.419 FF 2.755 0 Anodyne ref FFAARN CCOC(=O)c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000000674287 22/88/51/506228851 HHMYZWKUIUMNNF-UHFFFAOYSA-N -1 374.34 FF 2.997 3 Anodyne high FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000000674287 22/88/44/506228844 HHMYZWKUIUMNNF-UHFFFAOYSA-N 0 374.34 FF 2.997 0 Anodyne ref FFAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000674548 22/75/68/506227568 OGKXZOFFFHQKHD-UHFFFAOYSA-N 0 358.379 FF 2.68 0 Bother ref FFBARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000674554 26/12/35/210261235 DGBDBYWIGJYRIB-UHFFFAOYSA-N 0 373.39 FF 2.898 0 Bother ref FFBARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000674779 22/87/46/506228746 DLCGAWXCZJIQLH-UHFFFAOYSA-N 0 361.379 FF 2.739 0 Bother ref FFBARN COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 O=S(=O)(c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1)N1CCCC1 ZINC000000674798 22/85/20/506228520 MNQYBTIJHJNZSQ-XDHOZWIPSA-N 0 358.419 FF 2.95 0 Mild ref FFEARN O=S(=O)(c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1)N1CCCC1 Cc1ccc(C(=O)NC(=S)NC[C@H]2CCCO2)cc1Br ZINC000000675530 22/80/99/506228099 GYFPNLKGCLBUDZ-LLVKDONJSA-N 0 357.273 FF 2.541 0 Anodyne ref FFAARN Cc1ccc(C(=O)NC(=S)NC[C@H]2CCCO2)cc1Br Cc1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1Br ZINC000000675532 22/86/98/506228698 GYFPNLKGCLBUDZ-NSHDSACASA-N 0 357.273 FF 2.541 0 Anodyne ref FFAARN Cc1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1Br CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000675591 26/11/23/210261123 NJLDHYDBHUVERY-UHFFFAOYSA-N 0 372.406 FF 2.704 0 Bother ref FFBARN CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 Cc1sc(NC(=S)NC(=O)CCc2ccccc2)c(C(N)=O)c1C ZINC000000675631 22/81/56/506228156 XVMTUQOQDRSCKQ-UHFFFAOYSA-N 0 361.492 FF 2.91 0 Anodyne ref FFAARN Cc1sc(NC(=S)NC(=O)CCc2ccccc2)c(C(N)=O)c1C O=C(COc1ccc(Cl)cc1)NC(=S)Nc1cccc(CO)c1 ZINC000000675657 22/82/92/506228292 BMMGOEDCTKCMSN-UHFFFAOYSA-N 0 350.827 FF 2.724 0 Anodyne ref FFAARN O=C(COc1ccc(Cl)cc1)NC(=S)Nc1cccc(CO)c1 COc1cc(C(=O)NC(=S)Nc2ccc(C#N)cc2)cc(OC)c1OC ZINC000000675722 22/86/31/506228631 MMDQHACQXBSSPP-UHFFFAOYSA-N 0 371.418 FF 2.711 0 Mild ref FFEARN COc1cc(C(=O)NC(=S)Nc2ccc(C#N)cc2)cc(OC)c1OC O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(F)(F)F ZINC000000676464 22/75/45/506227545 SGXJTESNBAFRDU-UHFFFAOYSA-N 0 350.362 FF 2.798 0 Anodyne ref FFAARN O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(F)(F)F COc1cc(C(=O)NC(=S)N(C)Cc2ccccc2)cc(OC)c1OC ZINC000000676680 22/88/58/506228858 KCFDMDUTXRPIFX-UHFFFAOYSA-N 0 374.462 FF 2.859 0 Anodyne ref FFAARN COc1cc(C(=O)NC(=S)N(C)Cc2ccccc2)cc(OC)c1OC CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000676686 14/17/70/263141770 WYSBUJAWQRYESI-UHFFFAOYSA-N 0 369.512 FF 2.521 0 Anodyne ref FFAARN CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 COc1ccc(OCC(=O)NC(=S)N2CCCc3ccccc32)cc1 ZINC000000676704 93/21/72/524932172 NMDRMGKJEOHSGJ-UHFFFAOYSA-N 0 356.447 FF 2.928 0 Anodyne ref FFAARN COc1ccc(OCC(=O)NC(=S)N2CCCc3ccccc32)cc1 CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000676872 14/17/73/263141773 PWANYMIPMMSYAM-CYBMUJFWSA-N 0 362.451 FF 2.865 0 Anodyne ref FFAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000676873 22/86/64/506228664 PWANYMIPMMSYAM-ZDUSSCGKSA-N 0 362.451 FF 2.865 0 Anodyne ref FFAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 COC(=O)c1ccccc1NC(=S)NC(=O)Cc1ccc(OC)cc1 ZINC000000677242 26/18/11/210261811 WYDDFBYNFJAFSQ-UHFFFAOYSA-N 0 358.419 FF 2.538 0 Anodyne ref FFAARN COC(=O)c1ccccc1NC(=S)NC(=O)Cc1ccc(OC)cc1 COc1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc(OC)c1OC ZINC000000729752 22/91/85/506229185 QSDPBLCMFCTFEO-UHFFFAOYSA-N 0 358.394 FF 2.947 0 Anodyne ref FFAARN COc1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc(OC)c1OC COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O ZINC000000778748 23/13/05/506231305 SBYCSVOUQFRMNP-UHFFFAOYSA-N 0 360.435 FF 2.638 0 Anodyne ref FFAARN COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O COc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000000785712 27/09/10/210270910 BOXBFOBFYFHOBV-UHFFFAOYSA-N 0 354.406 FF 2.949 0 Anodyne ref FFAARN COc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1 COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000810478 27/36/09/210273609 PPMHAFZOUWHQPL-UHFFFAOYSA-N 0 360.435 FF 2.732 0 Anodyne ref FFAARN COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)ccc1Br ZINC000000850437 23/66/96/506236696 PQXHZISUZQXBOZ-UHFFFAOYSA-N 0 363.211 FF 2.874 0 Anodyne ref FFAARN Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)ccc1Br CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 ZINC000000882088 23/90/33/506239033 AKOMHZKUFPWVAS-UHFFFAOYSA-N 0 358.419 FF 2.999 0 Anodyne ref FFAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000000888644 33/68/52/219336852 ZDDRTFNTNAPYCT-UHFFFAOYSA-N 0 374.462 FF 2.797 0 Anodyne ref FFAARN Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 aggregator O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccncc1 ZINC000000937634 24/10/58/506241058 CJTMTSCSGFZGCL-UHFFFAOYSA-N 0 359.451 FF 2.945 0 Anodyne ref FFAARN O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccncc1 CC[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000938266 24/10/50/506241050 GJUDBTVBAQZDTQ-KRWDZBQOSA-N 0 367.474 FF 2.579 0 Anodyne ref FFAARN CC[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000938267 34/36/24/219343624 GJUDBTVBAQZDTQ-QGZVFWFLSA-N 0 367.474 FF 2.579 0 Anodyne ref FFAARN CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 CC(=O)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001003542 24/40/49/506244049 NBEWWOWQLQMQSS-UHFFFAOYSA-N -1 367.814 FF 2.809 0 Anodyne ref FFAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000001003754 24/33/65/506243365 LNNKDCWKZRAKCA-UHFFFAOYSA-N 0 362.451 FF 2.978 0 Anodyne ref FFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 COc1ccc(C(=O)NCc2ccco2)cc1I ZINC000001057301 24/58/05/506245805 UGVUKWVQLIWPCN-UHFFFAOYSA-N 0 357.147 FF 2.823 0 Anodyne ref FFAARN COc1ccc(C(=O)NCc2ccco2)cc1I CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1 ZINC000001060975 36/20/30/219362030 CSYLDQZLTFDEBV-GFCCVEGCSA-N 0 356.216 FF 2.625 0 Anodyne ref FFAARN CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1 CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1 ZINC000001060977 31/12/34/210311234 CSYLDQZLTFDEBV-LBPRGKRZSA-N 0 356.216 FF 2.625 0 Anodyne ref FFAARN CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1 CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001076631 36/56/69/219365669 ALSLOQLZXRBSHJ-UHFFFAOYSA-N 0 363.395 FF 2.534 0 Bother ref FFBARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001076790 31/38/09/210313809 JPFFICDRTSCXGY-UHFFFAOYSA-N 0 363.395 FF 2.534 0 Bother ref FFBARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 COc1ccc(C(=O)NC(=S)NCc2ccco2)cc1Br ZINC000001079318 31/52/25/210315225 NSGIPFJZYJOLPL-UHFFFAOYSA-N 0 369.24 FF 2.855 0 Anodyne ref FFAARN COc1ccc(C(=O)NC(=S)NCc2ccco2)cc1Br Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000001088056 36/72/77/219367277 NCZDSPPYFOBSHF-UHFFFAOYSA-N 0 369.24 FF 2.657 0 Anodyne ref FFAARN Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000001088085 98/26/64/203982664 KJXMNSPDUPKIBM-UHFFFAOYSA-N 0 356.403 FF 2.505 0 Anodyne ref FFAARN NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000001107486 31/81/37/210318137 YLZCXFNEZYMLLJ-LZYBPNLTSA-N -1 355.213 FF 2.553 3 Mild high FFEAHM NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000001107486 31/81/31/210318131 YLZCXFNEZYMLLJ-LZYBPNLTSA-N 0 355.213 FF 2.553 0 Mild ref FFEARN NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000001122759 37/42/69/219374269 IIHGAMCMLWTCKB-UHFFFAOYSA-N 0 362.451 FF 2.517 0 Anodyne ref FFAARN CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000001187159 33/20/71/210332071 RCCXVWUMNGREEX-UHFFFAOYSA-N 0 360.435 FF 2.732 0 Anodyne ref FFAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 COc1cc(C(=O)NC(=S)N2CCCCCC2)cc(OC)c1OC ZINC000001298442 39/33/95/219393395 YESSBBCWHQBYPF-UHFFFAOYSA-N 0 352.456 FF 2.603 0 Anodyne ref FFAARN COc1cc(C(=O)NC(=S)N2CCCCCC2)cc(OC)c1OC Cc1ccc(C(=O)NC(=S)N2CCCC2)cc1I ZINC000001298497 25/87/48/506258748 VSLSYDWERAIZCM-UHFFFAOYSA-N 0 374.247 FF 2.71 0 Anodyne ref FFAARN Cc1ccc(C(=O)NC(=S)N2CCCC2)cc1I Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000001298601 34/14/82/210341482 BAOWGGGOGYLORY-UHFFFAOYSA-N 0 362.451 FF 2.571 0 Anodyne ref FFAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000001298607 25/91/15/506259115 NMNQWRSLNMIYLB-UHFFFAOYSA-N 0 368.842 FF 2.608 0 Anodyne ref FFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000001310965 34/05/78/210340578 ORGMGHFJVYOATB-CQSZACIVSA-N 0 372.377 FF 2.695 0 Mild ref FFEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1[N+](=O)[O-] COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000001310966 34/16/69/210341669 ORGMGHFJVYOATB-AWEZNQCLSA-N 0 372.377 FF 2.695 0 Mild ref FFEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1[N+](=O)[O-] CC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000002131817 02/75/89/204027589 VAAPQXHMULFLHI-UHFFFAOYSA-N 0 358.31 FF 2.738 0 Bother ref FFBARN CC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 COc1cc(C(=O)NC(=S)N(C)c2ccccc2)cc(OC)c1OC ZINC000002136272 90/31/82/206903182 STAZQUKIHBGCKC-UHFFFAOYSA-N 0 360.435 FF 2.864 0 Anodyne ref FFAARN COc1cc(C(=O)NC(=S)N(C)c2ccccc2)cc(OC)c1OC Cc1ccc(C(=O)NC(=S)NC(C)C)cc1I ZINC000002136297 02/75/71/204027571 HTTGDHUDQRZZKI-UHFFFAOYSA-N 0 362.236 FF 2.612 0 Anodyne ref FFAARN Cc1ccc(C(=O)NC(=S)NC(C)C)cc1I O=C(NC(=S)Nc1ccc(I)cc1)C1CCC1 ZINC000002136392 27/27/54/506272754 WHWHIBRDRIKWLT-UHFFFAOYSA-N 0 360.22 FF 2.904 0 Anodyne ref FFAARN O=C(NC(=S)Nc1ccc(I)cc1)C1CCC1 CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)CC(C)C)cc1 ZINC000002136452 27/17/52/506271752 LZRXPVLBGAWMLU-UHFFFAOYSA-N 0 371.528 FF 2.576 0 Anodyne ref FFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=S)NC(=O)CC(C)C)cc1 CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000002136506 02/73/82/204027382 KZXOSRXIKLPMRA-UHFFFAOYSA-N 0 371.528 FF 2.623 0 Anodyne ref FFAARN CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1 ZINC000002696310 28/85/48/506288548 XTSLVXXDDAIWGQ-UHFFFAOYSA-N 0 352.39 FF 2.825 0 Anodyne ref FFAARN Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1 Cc1ccc(/C=C/C(=O)N2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)o1 ZINC000002696356 28/81/53/506288153 VFPJOYKURYJKSQ-FIFLTTCUSA-N 0 354.406 FF 2.887 0 Anodyne ref FFAARN Cc1ccc(/C=C/C(=O)N2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)o1 Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000002700611 28/76/22/506287622 HLVLHGWZEHZTST-UHFFFAOYSA-N 0 362.451 FF 2.571 0 Anodyne ref FFAARN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 CC(C)CC(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 ZINC000002836842 29/61/68/506296168 HISZMZLJKUTDCS-UHFFFAOYSA-N 0 365.389 FF 2.612 0 Anodyne ref FFAARN CC(C)CC(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000002861605 29/82/08/506298208 VEVFPAWOTCJJDY-UHFFFAOYSA-N 0 373.228 FF 2.545 0 Anodyne ref FFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000002868934 06/46/32/204064632 ZYDJNRLIJSBGMO-UHFFFAOYSA-N 0 362.451 FF 2.563 0 Anodyne ref FFAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 CCCCC(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 ZINC000002870667 29/76/45/506297645 JTNSTQULBAXDKW-UHFFFAOYSA-N 0 365.389 FF 2.756 0 Anodyne ref FFAARN CCCCC(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 NC(=O)c1ccccc1NC(=O)c1ccccc1I ZINC000003192534 31/31/56/506313156 GLQUQPQZDARWKV-UHFFFAOYSA-N 0 366.158 FF 2.642 0 Anodyne ref FFAARN NC(=O)c1ccccc1NC(=O)c1ccccc1I Cc1cc(OCC(=O)Nc2ccc(C(N)=O)cc2)ccc1Br ZINC000003664047 35/01/09/506350109 ZYERMKXMKAKYGV-UHFFFAOYSA-N 0 363.211 FF 2.874 0 Anodyne ref FFAARN Cc1cc(OCC(=O)Nc2ccc(C(N)=O)cc2)ccc1Br COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000004194502 00/70/74/207007074 AURQNBRWVZKENZ-UHFFFAOYSA-N 0 358.419 FF 2.765 0 Anodyne ref FFAARN COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000004270557 36/77/02/506367702 VGWDHAABGJWMFS-ZHACJKMWSA-N -2 374.418 FF 2.684 3 Anodyne high FFAAHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000004270557 36/76/93/506367693 VGWDHAABGJWMFS-ZHACJKMWSA-N -1 374.418 FF 2.684 0 Anodyne ref FFAARM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004616533 33/52/37/263335237 XAWWYTYFOCONCK-UHFFFAOYSA-N 0 351.319 FF 2.956 0 Clean ref FFCARN O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 in-vitro Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)c(C)c1 ZINC000004662697 38/65/45/506386545 HIALGPJMAPWDIS-MDZDMXLPSA-N -2 374.418 FF 2.684 3 Anodyne high FFAAHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)c(C)c1 Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)c(C)c1 ZINC000004662697 38/65/17/506386517 HIALGPJMAPWDIS-MDZDMXLPSA-N -1 374.418 FF 2.684 0 Anodyne ref FFAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)c(C)c1 O=C(CCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] ZINC000004670511 03/73/76/207037376 RURNYMLMBDZRRX-UHFFFAOYSA-N 0 358.31 FF 2.86 0 Bother ref FFBARN O=C(CCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000004696341 38/88/87/506388887 WBKKBMKNERXIKH-INIZCTEOSA-N 0 374.462 FF 2.705 0 Anodyne ref FFAARN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000004696342 38/88/06/506388806 WBKKBMKNERXIKH-MRXNPFEDSA-N 0 374.462 FF 2.705 0 Anodyne ref FFAARN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 Cc1sc(NC(=S)NC(=O)/C=C/c2ccccc2)c(C(N)=O)c1C ZINC000004724004 04/23/84/207042384 WNXHKYCQBZLSRS-CMDGGOBGSA-N 0 359.476 FF 2.99 0 Anodyne ref FFAARN Cc1sc(NC(=S)NC(=O)C=Cc2ccccc2)c(C(N)=O)c1C CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000004784085 39/56/68/506395668 OLYNLAYELGMKLU-UHFFFAOYSA-N 0 363.395 FF 2.535 0 Bother ref FFBARN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 C=CCNS(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000004852258 39/89/17/506398917 VZGZSIANLYDVIT-UHFFFAOYSA-N 0 374.462 FF 2.785 0 Mild ref FFEARN C=CCNS(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1