smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[N+](C)(C)CC[NH+](C)C ZINC000103233700 717146068 /nfs/dbraw/zinc/14/60/68/717146068.db2.gz GTTBHQJFLZRDPW-UHFFFAOYSA-N 2 2 229.432 2.985 1 30 BFEFLP