smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(CCC(=O)[O-])(c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000002164719 570982260 /nfs/dbraw/zinc/98/22/60/570982260.db2.gz VGRYMKZWQBZCPX-UHFFFAOYSA-N -2 2 376.321 3.085 50 5 GGBALL