smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OO ZINC000167794082 717154987 /nfs/dbraw/zinc/15/49/87/717154987.db2.gz NZYXYIRVZSKNAS-CYBMUJFWSA-O 0 1 372.375 1.808 40 50 FDGBMN