smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(CC(P(=O)([O-])O)[P@](=O)([O-])O)cc1 ZINC000117317263 395852189 /nfs/dbraw/zinc/85/21/89/395852189.db2.gz URDYXXQISDKARR-UHFFFAOYSA-N -2 2 311.123 0.819 10 5 DCBELL O=[N+]([O-])c1ccc(CC(P(=O)([O-])O)[P@@](=O)([O-])O)cc1 ZINC000117317263 395852191 /nfs/dbraw/zinc/85/21/91/395852191.db2.gz URDYXXQISDKARR-UHFFFAOYSA-N -2 2 311.123 0.819 10 5 DCBELL