smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl ZINC000095858839 717140486 /nfs/dbraw/zinc/14/04/86/717140486.db2.gz KFRDMULBEMHUGZ-UHFFFAOYSA-N 1 0 357.046 6.786 40 50 FKGBRO CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCl ZINC000100925794 717144153 /nfs/dbraw/zinc/14/41/53/717144153.db2.gz MHDVKSJQKRJTAT-UHFFFAOYSA-N 1 0 361.078 7.563 40 50 FKGBRO