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.
SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.