smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+](CC=C)CCC[NH+](CC=C)CC=C ZINC000002563347 166334060 /nfs/dbraw/zinc/33/40/60/166334060.db2.gz KKAIREMKWOORCU-UHFFFAOYSA-N 2 2 234.387 2.725 40 30 BFEBLP