smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1([NH2+]c2ccc(N)cc2)CCCC1 42176416 572007194 /nfs/dbraw/zinc/00/71/94/572007194.db2.gz IWJOXDGQJFSGFJ-UHFFFAOYSA-N 1 2 190.290 3.013 10 10 AGCELO CCCCCC[NH2+]c1ccc(N)cc1 66111180 572685938 /nfs/dbraw/zinc/68/59/38/572685938.db2.gz IELAVJDOWOPAMD-UHFFFAOYSA-N 1 2 192.306 3.261 10 10 AGCELO