smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[P@](=O)([O-])CC(=O)[O-] ZINC000043069321 563117994 /nfs/dbraw/zinc/11/79/94/563117994.db2.gz ZRXQTQAEUWOTIH-ZJUUUORDSA-N -2 0 437.367 0.220 1 5 ICBFRL