Our CompBatPET database consists of 8213 organic compounds undergoing two-proton twoelectron reactions. The data are stored in the comma-separated values (CSV) file format and XYZ file. One data set was made for each ET, PT, and PET reaction, containing the molecular weights, cavity volumes, highest occupied orbital energies (HOMOs), lowest unoccupied orbital energies (LUMOs), and simplified molecular input line entry system (SMILES) string representations of only the reactants involved in the oxidation and deprotonation reactions.