smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CCBr)CCCCCC[N+](C)(C)CCBr ZINC000003388361 717095544 /nfs/dbraw/zinc/09/55/44/717095544.db2.gz LITWKRHAVNQMOL-UHFFFAOYSA-N 2 0 388.232 3.489 40 50 GGGBRP