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-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000015224368 569225257 /nfs/dbraw/zinc/22/52/57/569225257.db2.gz XSCGNRRJLSGRTN-GZTJUZNOSA-N -2 2 446.371 3.009 40 0 IGABLL