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[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](OP(=O)([O-])[O-])O2)cc1[N+](=O)[O-] ZINC000025978047 202137577 /nfs/dbraw/zinc/13/75/77/202137577.db2.gz GIKVWQUCGAUMPL-HBPOCXIASA-N -2 1 339.153 -1.840 1 5 EABFML