smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3[O-])o2)S1 ZINC000035962268 213053330 /nfs/dbraw/zinc/05/33/30/213053330.db2.gz LHLYMMBFSIKWMS-WDZFZDKYSA-N -2 1 332.293 2.884 1 5 EFBFML