smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216796730 557155560 /nfs/dbraw/zinc/15/55/60/557155560.db2.gz KYMWSRUJMFOZHQ-UHFFFAOYSA-N -1 0 439.559 1.741 40 70 IDIBRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216843205 557157390 /nfs/dbraw/zinc/15/73/90/557157390.db2.gz LJMPRPSSVHMEFG-UHFFFAOYSA-N -1 0 443.522 1.571 40 70 IDIBRM