smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN(CC)Cc1c(C)[nH]c2c3ccccc3ccc2c1=O ZINC000008572538 563949251 /nfs/dbraw/zinc/94/92/51/563949251.db2.gz KEUVVAPIVWIGCE-UHFFFAOYSA-N 0 3 322.452 5.024 50 5 DKBAHN