smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[N+](C)(C)CCCl ZINC000100923850 717144193 /nfs/dbraw/zinc/14/41/93/717144193.db2.gz BPCFLDFYCWXSGQ-UHFFFAOYSA-N 1 0 276.916 5.223 40 50 CKGBRO