We examined the matching algorithms' ability to identify the correct compound from a set of similar generated molecules by assessing their spectra similarity to the experimental ground truth (GT) spectrum. Our underlying hypothesis was that the simulated spectrum of the correct molecule would show greater similarity to the GT spectrum compared to the simulated spectra of a decoy. This mimics the real-world use-case of structure disambiguation between similar reaction products. We increased the complexity of the task by creating decoys that were progressively more similar to the original: