Selected Download Files from the PFAS Tree

This is an archive of download files from certain sections of the PFAS and Fluorinated Compounds in PubChem. Details about the "PFAS Tree" are available in the documentation and described in Schymanski et al. (2023) DOI: 10.1021/acs.est.3c04855. Please cite the article if you use these resources.

The files provided are:

All (merged) entries in the CompTox Lists - 17,499 entries

All (merged) entries in the NORMAN-SLE Lists - 6,424 entries

All entries in the NIST PFAS List - 4,964 entries

All (merged) entries in the Regulatory Collections - 27,634 entries

All (merged) entries in the "Other diverse fluorinated compounds" node - 148,713 entries

All (merged) entries in the "Molecule contains PFAS parts larger than CF2/CF3" node - 231,044 entries(this is the subset of the OECD PFAS Definition set that contains parts larger than CF2/CF3)

All (merged) entries in the "OECD PFAS Definition" node - 6,979,681 entries(this is all neutral PFAS species in PubChem meeting the OECD PFAS definition as of 25 Mar 2025) 

All (merged) entries in the "PFAS Breakdowns by Chemistry" node - 8,018,447 entries(this includes all the compounds in the OECD PFAS definitions section plus salts, mixtures and other species that also fit the definition). 

A text file containing the CIDs from the Organofluorine compounds collection, retrieved via PUG REST (code here) - 21,476,640 entries.

A tab separated mapping file explaining the column headers, including the old (pre April 2025) and new column headers.