Chemicals associated with plastics packaging (CPPdb) for MS-FIDNER

The original chemicals associated with plastic packaging database (CPPdb) was compiled by Ksenia J. Groh, etc., and is downloadable in https://zenodo.org/record/1287773. To make the use of this database for structural elucidation in MS-FINDER, the CPPdb is re-organized to the form that is compatible with MS-FINDER. Vital information, e.g., smiles and InChIKey, which are vital for in-silico fragmentation, are added to the CPPdb. Hope this re-formed database would be helpful for anyone who wants to use it for MS-FINDER.