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 - 17,492 entries
• All (merged) entries in the NORMAN-SLE Lists - 6,948 entries
• All entries in the NIST PFAS List - 4,964 entries
• All (merged) entries in the Regulatory Collections - 27,109* entries
• All (merged) entries in the "Other diverse fluorinated compounds" node - 177,565* entries
• All (merged) entries in the "Molecule contains PFAS parts larger than CF2/CF3" node - 240,702* 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 - 7,191,004* entries
  (this is all neutral PFAS species in PubChem meeting the OECD PFAS definition as of 30 Sept. 2025) 
• All (merged) entries in the "PFAS Breakdowns by Chemistry" node - 8,276,632* 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, or direct URL) - 22,038,283 entries.
• A tab separated mapping file explaining the column headers, including the old (pre April 2025) and new column headers.

* Note: on Sept 30, not all CIDs mapped to live records due to out-of-sync updates. The numbers in the download files differ from totals displayed on the classification browser. Download => Display total. 
27,109=>27,112; 177,565=>177,596; 240,702=>240,741; 7,191,004=>7,193,873; 8,276,632=>8,280,022.