smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC/C=C/CN1CCC1 ZINC001208119524 762193117 /nfs/dbraw/zinc/19/31/17/762193117.db2.gz DJYRYOZACVGOQF-CMDGGOBGSA-N 0 3 195.350 3.609 20 30 AHEDHN