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(=O)n(-c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000004416411 527560063 /nfs/dbraw/zinc/56/00/63/527560063.db2.gz KAUQEIRKYADRME-UHFFFAOYSA-N -2 1 249.182 0.772 40 10 BCCBML