smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000004654927 562943447 /nfs/dbraw/zinc/94/34/47/562943447.db2.gz DTWANULJDRVTFI-NRFANRHFSA-N 2 3 435.613 1.034 50 0 in-vivo IDAAHP