smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN(CCCC)CCC[NH+](CCCC)CCCC ZINC000004691834 566878053 /nfs/dbraw/zinc/87/80/53/566878053.db2.gz GFQVCRLEDYPCAB-UHFFFAOYSA-N 1 3 298.559 5.181 40 0 CKABHO