smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1 ZINC000218539029 188355217 /nfs/dbraw/zinc/35/52/17/188355217.db2.gz WPJZHDRYAXKGBH-UHFFFAOYSA-N 0 1 231.299 2.720 50 70 BFIAMN