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We have made the SWEETLEAD database available for download in multiple formats. 1) 2-D structures are provided as isomeric SMILES strings. 2) A flat file is available containing the data collected for each molecule (tab-separated). 3) 3-D structures are provided as an SDF file, with up to 4 unspecified stereocenters enumerated for each molecule. The data provided in the flatfile has been added to each molecule as SD data fields.
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SWEETLEAD Database
Molecular structures, and associated identifying information, for the globally approved medicines, illegal drugs, and herbal extracts.
SWEETLEAD v1.0
Aug 20, 2013

Initial release of the SWEETLEAD database, as detailed in the associated publication.   View License

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Aug 20, 2013
282 KB
Any
Data/images/video
2-D structures of all molecules

Aug 20, 2013
5 MB
Any
Data/images/video
Flat file with molecule data

Aug 20, 2013
60 MB
Any
Data/images/video
3-D structures of all molecules, up to 4 unspecified stereocenters enumerated


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