An appropriate dataset is essential for constructing a reliable prediction model. We compiled our dataset from well-curated and experimentally validated literature sources, ensuring structural diversity across a broad range of compounds. The dataset consists of 3,745 aqueous solubility measurements, including small organic molecules, drugs, and drug-like species, collected from four external sources. Specifically, it includes 1,129 drug-like compounds from the ESOL (Estimated SOLubility) dataset by , 1,291 organic compounds from , 829 drug-like compounds from Lovric (2021) , and 496 compounds from .