The USPTO Unbalance Class (Uunb) was selected by randomly choosing from reactions classified as solved or unsolved by the rule-based method. This selection provides insights into carbon and non-carbon imbalances within the chosen reaction classes. To ensure reproducibility, the random seed was set to a fixed value (seed value = 42) for all random selection processes. The datasets are summarized in Table . In order to benchmark SynRBL we evaluated (1) success of the algorithm, defined as the fraction of (unbalanced) instances for which SynRBL proposed a balanced reaction, and (2) accuracy, the fraction of proposed solutions for the rebalancing problem that are (chemically) correct.