smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000216802983 571598255 /nfs/dbraw/zinc/59/82/55/571598255.db2.gz NOSHTSIBGONQNB-UHFFFAOYSA-N 1 2 501.030 1.535 40 70 KDIBLO CN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000216803092 571598194 /nfs/dbraw/zinc/59/81/94/571598194.db2.gz SWBQMJHDCYCOOQ-UHFFFAOYSA-N 1 2 545.481 1.644 40 70 KDIBLO Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000216807603 571598582 /nfs/dbraw/zinc/59/85/82/571598582.db2.gz AXZOZCYWWKRJFH-UHFFFAOYSA-N 1 2 508.666 1.807 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216809566 571598578 /nfs/dbraw/zinc/59/85/78/571598578.db2.gz HHBJTKZWASGGSO-UHFFFAOYSA-N 1 2 510.638 1.281 40 70 KDIBLO COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216809750 571598580 /nfs/dbraw/zinc/59/85/80/571598580.db2.gz VPFLUDAZWUQIEM-UHFFFAOYSA-N 1 2 510.638 1.199 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216810279 571598427 /nfs/dbraw/zinc/59/84/27/571598427.db2.gz MQFRJHJFQLVHPD-UHFFFAOYSA-N 1 2 524.665 1.671 40 70 KDIBLO COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216810458 571598538 /nfs/dbraw/zinc/59/85/38/571598538.db2.gz YQZWVLJEAGFRHQ-UHFFFAOYSA-N 1 2 531.056 1.544 40 70 KDIBLO CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000216810811 571598487 /nfs/dbraw/zinc/59/84/87/571598487.db2.gz JMWIBRRDILNRQG-UHFFFAOYSA-N 1 2 515.057 1.925 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000216811150 571598566 /nfs/dbraw/zinc/59/85/66/571598566.db2.gz ZQIOWBAGYJAYNC-UHFFFAOYSA-N 1 2 515.057 1.676 40 70 KDIBLO CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000216812711 571598493 /nfs/dbraw/zinc/59/84/93/571598493.db2.gz CJVHAAGGISSALD-UHFFFAOYSA-N 1 2 524.665 1.589 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216813920 571598752 /nfs/dbraw/zinc/59/87/52/571598752.db2.gz BXZPTNOIWAWLNZ-UHFFFAOYSA-N 1 2 524.665 1.589 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216814273 571598766 /nfs/dbraw/zinc/59/87/66/571598766.db2.gz FBVFDRFZINDYTA-UHFFFAOYSA-N 1 2 545.083 1.934 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216815146 571598690 /nfs/dbraw/zinc/59/86/90/571598690.db2.gz RBGQXWBYXXZSFF-UHFFFAOYSA-N 1 2 538.692 1.979 40 70 KDIBLO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216815303 571598773 /nfs/dbraw/zinc/59/87/73/571598773.db2.gz WWHGQFLYZHLQSZ-UHFFFAOYSA-N 1 2 531.056 1.544 40 70 KDIBLO COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216815970 571598813 /nfs/dbraw/zinc/59/88/13/571598813.db2.gz UVODUGLSEFDHSF-UHFFFAOYSA-N 1 2 514.601 1.030 40 70 KDIBLO CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000216816140 571598754 /nfs/dbraw/zinc/59/87/54/571598754.db2.gz OVVOXEXOWAVNBB-UHFFFAOYSA-N 1 2 528.628 1.420 40 70 KDIBLO CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000216816311 571598760 /nfs/dbraw/zinc/59/87/60/571598760.db2.gz SVIMRBJYWZVIEG-UHFFFAOYSA-N 1 2 524.665 1.589 40 70 KDIBLO CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000216816468 571598738 /nfs/dbraw/zinc/59/87/38/571598738.db2.gz OBGLWNGOHQKKOI-UHFFFAOYSA-N 1 2 545.083 1.934 40 70 KDIBLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216816671 571598793 /nfs/dbraw/zinc/59/87/93/571598793.db2.gz TZHHMASAENGHLC-OAHLLOKOSA-N 1 2 501.030 1.582 40 70 KDIBLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216816711 571598698 /nfs/dbraw/zinc/59/86/98/571598698.db2.gz TZHHMASAENGHLC-HNNXBMFYSA-N 1 2 501.030 1.582 40 70 KDIBLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216817206 571598748 /nfs/dbraw/zinc/59/87/48/571598748.db2.gz OJEFFYJSTRBAMN-KRWDZBQOSA-N 1 2 510.638 1.245 40 70 KDIBLO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216817243 571598675 /nfs/dbraw/zinc/59/86/75/571598675.db2.gz OJEFFYJSTRBAMN-QGZVFWFLSA-N 1 2 510.638 1.245 40 70 KDIBLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216817460 571598732 /nfs/dbraw/zinc/59/87/32/571598732.db2.gz GLZYZAASMUFVMN-HNNXBMFYSA-N 1 2 531.056 1.590 40 70 KDIBLO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216817497 571598710 /nfs/dbraw/zinc/59/87/10/571598710.db2.gz GLZYZAASMUFVMN-OAHLLOKOSA-N 1 2 531.056 1.590 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216817725 571598764 /nfs/dbraw/zinc/59/87/64/571598764.db2.gz NQTOIYRHYVCQPO-INIZCTEOSA-N 1 2 545.083 1.980 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216817751 571598703 /nfs/dbraw/zinc/59/87/03/571598703.db2.gz NQTOIYRHYVCQPO-MRXNPFEDSA-N 1 2 545.083 1.980 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216817987 571598707 /nfs/dbraw/zinc/59/87/07/571598707.db2.gz DWXDDTHGGWJUHY-KRWDZBQOSA-N 1 2 510.638 1.327 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216818021 571598750 /nfs/dbraw/zinc/59/87/50/571598750.db2.gz DWXDDTHGGWJUHY-QGZVFWFLSA-N 1 2 510.638 1.327 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216818245 571598730 /nfs/dbraw/zinc/59/87/30/571598730.db2.gz KBCQSZSCYRBWHF-SFHVURJKSA-N 1 2 524.665 1.635 40 70 KDIBLO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216818282 571598722 /nfs/dbraw/zinc/59/87/22/571598722.db2.gz KBCQSZSCYRBWHF-GOSISDBHSA-N 1 2 524.665 1.635 40 70 KDIBLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216818518 571598829 /nfs/dbraw/zinc/59/88/29/571598829.db2.gz QDNPOBZQIUZFLR-HNNXBMFYSA-N 1 2 531.056 1.590 40 70 KDIBLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216818555 571598946 /nfs/dbraw/zinc/59/89/46/571598946.db2.gz QDNPOBZQIUZFLR-OAHLLOKOSA-N 1 2 531.056 1.590 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)CC1 ZINC000216821532 571599090 /nfs/dbraw/zinc/59/90/90/571599090.db2.gz QLYUIGACUZQAOF-UHFFFAOYSA-N 1 2 506.650 1.662 40 70 KDIBLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000216821624 571599012 /nfs/dbraw/zinc/59/90/12/571599012.db2.gz LDJLJIJNAQOYJY-UHFFFAOYSA-N 1 2 520.677 1.971 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000216822020 571599266 /nfs/dbraw/zinc/59/92/66/571599266.db2.gz DTHWRGMOQIBQRF-UHFFFAOYSA-N 1 2 524.640 1.801 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1OC ZINC000216822130 571599212 /nfs/dbraw/zinc/59/92/12/571599212.db2.gz BXHISINFWCLUTB-UHFFFAOYSA-N 1 2 566.702 1.679 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000216822235 571599277 /nfs/dbraw/zinc/59/92/77/571599277.db2.gz VTQFFOCEVIQNDQ-UHFFFAOYSA-N 1 2 536.676 1.671 40 70 KDIBLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC000216822594 571599242 /nfs/dbraw/zinc/59/92/42/571599242.db2.gz DDLYCYXXNUUMQD-HXUWFJFHSA-N 1 2 520.677 1.971 40 70 KDIBLO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC000216822632 571599234 /nfs/dbraw/zinc/59/92/34/571599234.db2.gz DDLYCYXXNUUMQD-FQEVSTJZSA-N 1 2 520.677 1.971 40 70 KDIBLO COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)CC2)c1 ZINC000216822981 571599330 /nfs/dbraw/zinc/59/93/30/571599330.db2.gz XLCMPTLMYAKCBN-UHFFFAOYSA-N 1 2 566.702 1.679 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1C ZINC000216823304 571599270 /nfs/dbraw/zinc/59/92/70/571599270.db2.gz DMVQPVVSZQOSPB-UHFFFAOYSA-N 1 2 550.703 1.979 40 70 KDIBLO COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000216823459 571599290 /nfs/dbraw/zinc/59/92/90/571599290.db2.gz NQAPNKYHAQZGGR-UHFFFAOYSA-N 1 2 550.703 1.979 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC000216823646 571599224 /nfs/dbraw/zinc/59/92/24/571599224.db2.gz WMZKRTOVIZBZCK-GOSISDBHSA-N 1 2 524.640 1.801 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC000216823677 571599214 /nfs/dbraw/zinc/59/92/14/571599214.db2.gz WMZKRTOVIZBZCK-SFHVURJKSA-N 1 2 524.640 1.801 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC000216824013 571599335 /nfs/dbraw/zinc/59/93/35/571599335.db2.gz WRRIGAVKBOQDPB-LJQANCHMSA-N 1 2 536.676 1.671 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC000216824053 571599240 /nfs/dbraw/zinc/59/92/40/571599240.db2.gz WRRIGAVKBOQDPB-IBGZPJMESA-N 1 2 536.676 1.671 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1C ZINC000216824265 571599293 /nfs/dbraw/zinc/59/92/93/571599293.db2.gz OHQRTRRJWXZDHN-HXUWFJFHSA-N 1 2 550.703 1.979 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1C ZINC000216824299 571599274 /nfs/dbraw/zinc/59/92/74/571599274.db2.gz OHQRTRRJWXZDHN-FQEVSTJZSA-N 1 2 550.703 1.979 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 ZINC000216824706 571599226 /nfs/dbraw/zinc/59/92/26/571599226.db2.gz QSRNHSDMGVXOGO-LJQANCHMSA-N 1 2 506.650 1.662 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 ZINC000216824740 571599285 /nfs/dbraw/zinc/59/92/85/571599285.db2.gz QSRNHSDMGVXOGO-IBGZPJMESA-N 1 2 506.650 1.662 40 70 KDIBLO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000216825244 571599552 /nfs/dbraw/zinc/59/95/52/571599552.db2.gz IVPXVZARJPZGSB-HXUWFJFHSA-N 1 2 550.703 1.979 40 70 KDIBLO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000216825279 571599421 /nfs/dbraw/zinc/59/94/21/571599421.db2.gz IVPXVZARJPZGSB-FQEVSTJZSA-N 1 2 550.703 1.979 40 70 KDIBLO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)c1 ZINC000216826152 571599464 /nfs/dbraw/zinc/59/94/64/571599464.db2.gz ZFSXNPDLPAIABU-LJQANCHMSA-N 1 2 566.702 1.679 40 70 KDIBLO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)c1 ZINC000216826189 571599540 /nfs/dbraw/zinc/59/95/40/571599540.db2.gz ZFSXNPDLPAIABU-IBGZPJMESA-N 1 2 566.702 1.679 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1OC ZINC000216826407 571599457 /nfs/dbraw/zinc/59/94/57/571599457.db2.gz LFNMKRWRCNJVDH-LJQANCHMSA-N 1 2 566.702 1.679 40 70 KDIBLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1OC ZINC000216826435 571599430 /nfs/dbraw/zinc/59/94/30/571599430.db2.gz LFNMKRWRCNJVDH-IBGZPJMESA-N 1 2 566.702 1.679 40 70 KDIBLO COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000216828982 571599676 /nfs/dbraw/zinc/59/96/76/571599676.db2.gz DNORGPSMUWSTSA-UHFFFAOYSA-N 1 2 554.666 1.810 40 70 KDIBLO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000216829206 571599741 /nfs/dbraw/zinc/59/97/41/571599741.db2.gz LJHBFDUJACVVSV-GOSISDBHSA-N 1 2 554.666 1.810 40 70 KDIBLO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000216829241 571599791 /nfs/dbraw/zinc/59/97/91/571599791.db2.gz LJHBFDUJACVVSV-SFHVURJKSA-N 1 2 554.666 1.810 40 70 KDIBLO CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216829552 571599746 /nfs/dbraw/zinc/59/97/46/571599746.db2.gz KNHYNNCSEZDUCE-UHFFFAOYSA-N 1 2 510.638 1.327 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 ZINC000216829862 571599778 /nfs/dbraw/zinc/59/97/78/571599778.db2.gz SSGDJMRHNXRBPC-UHFFFAOYSA-N 1 2 522.649 1.425 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3)cc2)CC1 ZINC000216830273 571599748 /nfs/dbraw/zinc/59/97/48/571599748.db2.gz PJQPHGBBTYTPJT-UHFFFAOYSA-N 1 2 536.676 1.861 40 70 KDIBLO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216830562 571599806 /nfs/dbraw/zinc/59/98/06/571599806.db2.gz APPXVZGQTWYYFJ-UHFFFAOYSA-N 1 2 524.665 1.575 40 70 KDIBLO CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216830771 571599769 /nfs/dbraw/zinc/59/97/69/571599769.db2.gz JZELAYFDGDUZTH-GOSISDBHSA-N 1 2 524.665 1.717 40 70 KDIBLO CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216830804 571599800 /nfs/dbraw/zinc/59/98/00/571599800.db2.gz JZELAYFDGDUZTH-SFHVURJKSA-N 1 2 524.665 1.717 40 70 KDIBLO CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216830939 571599804 /nfs/dbraw/zinc/59/98/04/571599804.db2.gz QTYYWTCSUBGVFI-UHFFFAOYSA-N 1 2 510.638 1.329 40 70 KDIBLO CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216833316 571600140 /nfs/dbraw/zinc/60/01/40/571600140.db2.gz FOTOIDDWWMQHKC-UHFFFAOYSA-N 1 2 524.665 1.719 40 70 KDIBLO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216834356 571600080 /nfs/dbraw/zinc/60/00/80/571600080.db2.gz ZZCWKFKKEWPDEP-UHFFFAOYSA-N 1 2 524.665 1.671 40 70 KDIBLO Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216834910 571599940 /nfs/dbraw/zinc/59/99/40/571599940.db2.gz UKKWGWSMOLAOHF-UHFFFAOYSA-N 1 2 538.692 1.883 40 70 KDIBLO Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216835340 571600000 /nfs/dbraw/zinc/60/00/00/571600000.db2.gz JQBDODQJKBDOBX-UHFFFAOYSA-N 1 2 524.665 1.635 40 70 KDIBLO Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216835490 571600016 /nfs/dbraw/zinc/60/00/16/571600016.db2.gz XVWYRXBPWSAJLN-UHFFFAOYSA-N 1 2 536.676 1.733 40 70 KDIBLO CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000216836212 571600088 /nfs/dbraw/zinc/60/00/88/571600088.db2.gz QKTDKQRBYKAALW-UHFFFAOYSA-N 1 2 524.665 1.637 40 70 KDIBLO Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216837240 571600310 /nfs/dbraw/zinc/60/03/10/571600310.db2.gz VLPBLUOYAUXOMO-UHFFFAOYSA-N 1 2 510.638 1.199 40 70 KDIBLO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000216837378 571600321 /nfs/dbraw/zinc/60/03/21/571600321.db2.gz DITAVFJACWRGCJ-UHFFFAOYSA-N 1 2 538.692 1.979 40 70 KDIBLO CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC000216837799 571600358 /nfs/dbraw/zinc/60/03/58/571600358.db2.gz ZIWHUZGVYYXBHW-UHFFFAOYSA-N 1 2 545.083 1.982 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)cc2)CC1 ZINC000216838211 571600303 /nfs/dbraw/zinc/60/03/03/571600303.db2.gz GTIODBRCSQAETK-UHFFFAOYSA-N 1 2 573.093 1.315 40 70 KDIBLO COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC000216838352 571600408 /nfs/dbraw/zinc/60/04/08/571600408.db2.gz SUOFQFJURWUXHX-UHFFFAOYSA-N 1 2 561.082 1.218 40 70 KDIBLO CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216839185 571600355 /nfs/dbraw/zinc/60/03/55/571600355.db2.gz HFYWOEJMPMKCOC-UHFFFAOYSA-N 1 2 508.666 1.881 40 70 KDIBLO CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216840098 571600220 /nfs/dbraw/zinc/60/02/20/571600220.db2.gz ZYGKTQCPOKUXAW-UHFFFAOYSA-N 1 2 508.666 1.882 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 ZINC000216840697 571600327 /nfs/dbraw/zinc/60/03/27/571600327.db2.gz QJMLCWKKWPCMBY-UHFFFAOYSA-N 1 2 520.677 1.979 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 ZINC000216840935 571600525 /nfs/dbraw/zinc/60/05/25/571600525.db2.gz QJOMOBIJSQLBTN-UHFFFAOYSA-N 1 2 536.676 1.215 40 70 KDIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)CC1 ZINC000216841175 571600531 /nfs/dbraw/zinc/60/05/31/571600531.db2.gz FHCPNXLOUMUMCU-UHFFFAOYSA-N 1 2 506.650 1.635 40 70 KDIBLO COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)NC(C)C ZINC000216841267 571600595 /nfs/dbraw/zinc/60/05/95/571600595.db2.gz MODIKLMVEFRZRA-UHFFFAOYSA-N 1 2 510.638 1.570 40 70 KDIBLO COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000216841496 571600477 /nfs/dbraw/zinc/60/04/77/571600477.db2.gz RWXHIQKIDQSXMZ-UHFFFAOYSA-N 1 2 522.649 1.668 40 70 KDIBLO CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)ccc1OC ZINC000216842195 571600603 /nfs/dbraw/zinc/60/06/03/571600603.db2.gz SNBPRTJGJNTRLP-UHFFFAOYSA-N 1 2 510.638 1.572 40 70 KDIBLO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)ccc1OC ZINC000216842280 571600486 /nfs/dbraw/zinc/60/04/86/571600486.db2.gz CQURDECNNWYWQC-UHFFFAOYSA-N 1 2 524.665 1.914 40 70 KDIBLO CCN(c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O ZINC000216843341 571600609 /nfs/dbraw/zinc/60/06/09/571600609.db2.gz JXOCGNXMCXWTMO-UHFFFAOYSA-N 1 2 510.638 1.426 40 70 KDIBLO COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000216843745 571600618 /nfs/dbraw/zinc/60/06/18/571600618.db2.gz XKZOPNIVYVLPGV-UHFFFAOYSA-N 1 2 526.637 1.288 40 70 KDIBLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000217369621 571601143 /nfs/dbraw/zinc/60/11/43/571601143.db2.gz FYZDYCPLLSEHER-KKASSDGMSA-N 1 2 545.541 1.120 40 70 KDIBLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(=O)c-4c3O)cc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000217369621 571601140 /nfs/dbraw/zinc/60/11/40/571601140.db2.gz FYZDYCPLLSEHER-KKASSDGMSA-N 1 2 545.541 1.120 40 70 KDIBLO