First, E2 and S N 2 reactions originally published in Ref. 20 Third, the RDB7 dataset, which contains 11,926 high-accuracy reaction barrier heights and enthaplies calculated at CCSD(T)-F12/cc-pVDZ-F12 as provided in Ref. 25. In contrast to the E2, S N 2, and cycloaddition datasets that focus on one specific reaction class, this dataset spans a large range of barrier heights and is used to assess Chemprop's performance on substantially more reaction diversity. We randomly split the data into 80% training, 10% validation and 10% test data and then added reverse reactions to each set.