smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1SCCC(=O)[O-] ZINC000095941738 569375553 /nfs/dbraw/zinc/37/55/53/569375553.db2.gz JVTBIHIUDVMIRU-UHFFFAOYSA-N -2 2 439.511 2.998 50 0 IFAALL