In addition, the PubChem Transformations table is available in full on Zenodo 12 and was used to retrieve known reactions. The Transformations library (version 0.1.4) and the HSDB Metabolism and Metabolites datasets include information for 6 157 and 3 088 compounds, respectively. The Transformations dataset is being updated periodically and the code to do this is likewise available on GitLab . HSDB was discontinued in 2019 and the underlying dataset is no longer being updated, although the chemical mappings used may change over time with updates to PubChem.