Molecular entities in the COD

• Chemical structure search engine
• Molecular entity database
• Chemical structure browser

The collection of all generated chemical structures is available as a single DWAR file which can be viewed using the DataWarrior program. Supported download methods:

• HTTP(S): https://molecules.crystallography.net/cod/dwar/COD.dwar
• rsync: rsync://molecules.crystallography.net/dwar/COD.dwar

Each successfully processed COD entry is also available as an individual SDF (MOL V2000) file. Supported download methods:

• HTTP(S): https://molecules.crystallography.net/cod/sdf.
• rsync: rsync://molecules.crystallography.net/sdf

All data in the COD chemical structure collection are freely available under the CC0 Public Domain Dedication.

If you found this work useful in your research, please cite the following paper:

Vaitkus, A., Merkys, A., Sander, T., Quirós, M., Thiessen, P. A., Bolton, E. E. & Gražulis, S. (2023). A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. Journal of Cheminformatics, 15. https://doi.org/10.1186/s13321-023-00780-2