The datasets provided include: UV-Vis spectra data; kinetics measurement data; NMR spectra; and mass spectra. 
The UV-Vis raw data are in txt. format and are located in the ‘UV-Vis Spectra Data’ folder, where each file is labelled by the name of the compound used in the paper. 
The kinetics raw data are in txt. format, and are located in the ‘Kinetics Data/Kinetics Raw Data’ folder, under subfolders labelled by the compound name. Within the sub-folder each file is labelled by the information in the following order: the enzyme used (unless a background measurement), the concentration of the substrate of interest, the concentration of the saturating substrate, the pH measured at, and the measurement run. The UV-Vis spectra and kinetics data were acquired on a Jasco V550 UV/Vis spectrometer and can be processed using the Jasco V550 software or Microsoft Excel. The Microsoft Excel files of the kinetics graphs are located in the ‘Microsoft Excel files’ subfolder of the ‘Kinetics Data’ folder, where each file is labelled by the enzyme type, the compound name and the pH.
The NMR spectra consist of 1H NMR, 13C NMR, and where relevant, 31P NMR or two-dimensional spectra, of all compounds in the paper. The NMR raw data and mass spectra are located in the 'Compound characterisation data' folder, under sub-folders for each compound labelled by the compound name used in the paper. Raw NMR data was acquired on Bruker AVIII 400 and AVIII 500 spectrometers and can be processed using Bruker Topspin software. The mass spectra are scanned copies of high-resolution mass spectra measured by ESI+ ionisation on an Agilent MicroTOFq. The compounds were prepared by Patrick A. Cardwell in the laboratory of Professor Richard C. Hartley, University of Glasgow.