smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CCC)c1ccc(C=[NH+]NC(=O)C[N+](C)(C)C)cc1 ZINC000916270577 717193153 /nfs/dbraw/zinc/19/31/53/717193153.db2.gz IYRQREYLZPLBMW-UHFFFAOYSA-O 2 2 319.473 2.469 20 50 DEGDLP