smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCO[P@](=O)([O-])OCCCCCCCCCCCCCCCl ZINC000040896469 717127707 /nfs/dbraw/zinc/12/77/07/717127707.db2.gz GIWIELCAESKWEN-UHFFFAOYSA-O 0 1 414.975 5.746 1 50 HKGFMN