smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCl)cc1 ZINC000027869188 717115311 /nfs/dbraw/zinc/11/53/11/717115311.db2.gz QFVRYIQWLRRSJC-UHFFFAOYSA-O 0 0 348.832 1.215 1 50 EDGFRN