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-])Cc1ccc(Nc2c(C(=O)[O-])c[nH+]c3c4ccccc4ccc23)cc1 ZINC000005009313 570574470 /nfs/dbraw/zinc/57/44/70/570574470.db2.gz XJNVKXLONIHLKA-UHFFFAOYSA-N -1 2 372.380 4.457 50 5 FIBALM