smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[N+](CC)(CC)CCCCCC ZINC000059069335 717130837 /nfs/dbraw/zinc/13/08/37/717130837.db2.gz GZUDBGUQXSQUQJ-UHFFFAOYSA-N 1 0 242.471 5.004 10 5 BKBERO