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This repository was archived by the owner on Feb 11, 2026. It is now read-only.
I noticed that some of the reactions with multi-products are simplified to single-product reaction, which is not consistent with the original mit dataset.
For example, in one of the reactions in the test,
original products CC(c1cccc(N)c1)S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC are simplified to CC(c1cccc(N)c1)S(=O)(=O)[O-].
Actually, there is in total of 903 reactions simplified.
I am wondering if there is any reason to simplify it.