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)(CCl)Nc1nn[nH]n1 6563582 1427846903 /nfs/dbraw/zinc/84/69/03/1427846903.db2.gz GKJLENTWAALFIO-UHFFFAOYSA-N 0 1 175.623 0.629 50 50 ACGAMN