Except stated, data available from this interface are licensed under the Creative Commons Attribution 4.0 International license.

Download RetroRules dataset

Data used in RetroRules are available as a SQLite file: download link (file size is ~2 GB). Details on SQL schema are provided in documentation section.

Preparsed rule files

Preparsed rule files can be used as an alternative to the full RetroRules SQLite database: download link. Such files are ready to use with RetroPath2.0 and provide all the non-stereo reaction rules from diameter 2 to 16. For a description of the structure of files, see the embedded README.