smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc1ccc(O)cc1 ZINC000003804752 210074810 /nfs/dbraw/zinc/07/48/10/210074810.db2.gz DRHUIJOIIKXHEH-UHFFFAOYSA-N 2 3 336.480 0.749 40 0 in-vitro ECABHP