smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])Cn1cc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)c2ccccc21 ZINC000005800642 570735734 /nfs/dbraw/zinc/73/57/34/570735734.db2.gz FRUQKXJLFNARFE-UHFFFAOYSA-N -2 0 396.402 4.793 40 5 GJBBRL