To demonstrate the effectiveness of our HGAR-based molecular retrosynthesis methods, we evaluate it on the USPTO-50K dataset and compare it with state-of-the-art methods. USPTO-50K is the most commonly-used retrosynthesis dataset. It contains 50,016 atommapped reactions randomly sampled from US patents that are grouped into 10 reaction classes . Following the work in , we split the dataset into training/validation/testing sets with the 8:1:1 proportion. Additionally, we canonicalize the SMILES of the products and reassign the atom-mappings for reactant-product pairs like the work in did, randomizing the IDs of reaction centers to avoid the information leakage issue.