Terms & Agreements
All of the chemical isomers in the database are available for download, including all of their primary chemical annotations. They are available for download as a collection of gzipped SDF molecular format files, each about 100 MB large.

Note that small subsets of chemicals and isomers are available for download based on specific search criteria are via the ChemicalSearch page.

The data is made freely available for non-profit, academic use only. Agreements with our vendors limits our ability to distribute the data for commercial purposes. If you wish to use the data for commercial purposes, please contact Prof. Pierre Baldi (pfbaldi@ics.uci.edu) first and we may be able to provide a stripped down "raw" version of the data for you.