smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)/C(Cc2cc(=O)oc3cc([O-])ccc23)=N\NC(=O)C[N+](C)(C)C)cc1C ZINC000017720487 717113151 /nfs/dbraw/zinc/11/31/51/717113151.db2.gz YLRQMFVKQUJAQB-UHFFFAOYSA-O 0 1 465.530 2.475 40 50 JEGBMN