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(=C\CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CC/C=C(\C)CNc1ccc([N+](=O)[O-])cc1 ZINC000033917559 563111306 /nfs/dbraw/zinc/11/13/06/563111306.db2.gz UYGWTXKKVFWKKS-NCLYQNMFSA-N -2 1 450.321 3.906 1 5 JHBFML C/C(=C\CO[P@@](=O)([O-])O[P@](=O)([O-])O)CC/C=C(\C)CNc1ccc([N+](=O)[O-])cc1 ZINC000033917559 563111307 /nfs/dbraw/zinc/11/13/07/563111307.db2.gz UYGWTXKKVFWKKS-NCLYQNMFSA-N -2 1 450.321 3.906 1 5 JHBFML