smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[N@H+](C)CC[NH2+]CC(C)C ZINC000104184392 185918130 /nfs/dbraw/zinc/91/81/30/185918130.db2.gz KFRNDJXOQJFUOI-UHFFFAOYSA-N 2 2 270.505 4.305 10 30 CIEELP CCCCCCCCCC[N@@H+](C)CC[NH2+]CC(C)C ZINC000104184392 185918132 /nfs/dbraw/zinc/91/81/32/185918132.db2.gz KFRNDJXOQJFUOI-UHFFFAOYSA-N 2 2 270.505 4.305 10 30 CIEELP