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 717113148 /nfs/dbraw/zinc/11/31/48/717113148.db2.gz YLRQMFVKQUJAQB-UHFFFAOYSA-O 0 0 465.530 2.475 40 50 JEGBRN