smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2Cl)c1 ZINC000216940924 557164386 /nfs/dbraw/zinc/16/43/86/557164386.db2.gz QYIWWMZXPCMJQM-UHFFFAOYSA-N 1 1 435.977 3.582 40 70 IHIBMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2Cl)cc1C ZINC000216940951 557164324 /nfs/dbraw/zinc/16/43/24/557164324.db2.gz BYQVFXULHOELDC-UHFFFAOYSA-N 1 1 435.977 3.582 40 70 IHIBMO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000217580757 557171876 /nfs/dbraw/zinc/17/18/76/557171876.db2.gz DURIVYJWBKVZRM-YDZRNGNQSA-N 1 1 429.303 3.829 40 70 IHIBMO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000217580757 557171879 /nfs/dbraw/zinc/17/18/79/557171879.db2.gz DURIVYJWBKVZRM-YDZRNGNQSA-N 1 1 429.303 3.829 40 70 IHIBMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2Cl)c(C)c1 ZINC000216940898 557164247 /nfs/dbraw/zinc/16/42/47/557164247.db2.gz NOTRJUFOMVAHSP-UHFFFAOYSA-N 1 1 435.977 3.582 40 70 IHIBMO