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[n-]n1 6563582 1427846893 /nfs/dbraw/zinc/84/68/93/1427846893.db2.gz GKJLENTWAALFIO-UHFFFAOYSA-N -1 1 175.623 0.629 40 50 ACGBMM