smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C(=O)N1CC[NH+](Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)CC1 ZINC000037399259 569297356 /nfs/dbraw/zinc/29/73/56/569297356.db2.gz IZJXKDMVYGMACG-UHFFFAOYSA-N 1 2 413.503 3.271 10 5 HGBELO