The datasets provided include: fluorescence spectra data; fluorescence kinetics data; NMR spectra; IR spectra and mass spectra.
The fluorescence spectra and kinetics data were acquired on a Duetta Horiba spectrometer and can be processed using the EzSpec software or Microsoft Excel. The kinetic raw data are in ezspec or txt. format, and are located in the Fluorescence Kinetics Data folder, under subfolders labelled by the compound number. Within the sub-folder each file is labelled by the information in the following order: the compound number, the compound concentration, the concentration of GSH (if applicable), the pH measured at, and the assay run. The subfolders also contain the Microsoft Excel files of the processed data. 
The fluorescence raw data are in ezspec or txt. format, and are located in the Fluorescence Spectra Data folder, under subfolders labelled by the compound number. Calibration curve data are located in the Fluorescence Spectra Data/Calibration Curves folder, under subfolders labelled by the compound number. Within the subfolder each file is labelled by the compound number and the compound concentration. The subfolders also contain the Microsoft Excel files of the processed data. 
The NMR raw data, mass spectra and infrared spectra are located in the 'Compound characterisation data' folder, under sub-folders for each compound labelled by the compound number. The NMR spectra consist of 1H NMR, 13C NMR, and where relevant, 31P and 19F NMR or two-dimensional spectra, of all compounds 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 APCI or ESI +/- ionisation on an Agilent MicroTOFq. Infrared spectra are scanned copies of infrared spectra measured on a Shimadzu FTIR-8400S spectrometer. The compounds were prepared and characterised by Patrick A. Cardwell and Stuart. T. Caldwell in the laboratory of Professor Richard C. Hartley, University of Glasgow.