We also indicated data splits via suffixes. The suffix "/train" refers to the training/validation split, and "/test" refers to the test split. For external test data, "/overlap" indicates that the dataset was filtered such that its acids (or if appropriate, acid-solvent pairs) also show up in the respective property database of DISSOLVE2-ANIONS. These are used for assessing the uncertainty of the QM methods. On the other hand, "/nonoverlap" indicates that the acids/anions do not appear in the training/validation sets. These splits are useful for assessing the performance of the deep learning models, as they ensure that there is no data leakage. The data splits and external data for testing the models are summarized in Table . Digital versions of the data are available in the Zenodo (doi:10.5281/zenodo.13987782).