An appropriate experimental dataset including both the bitterants and non-bitterants are critical to properly build the reasonable prediction model. Three criteria are defined for our data curation. (1) All the disconnected structures such as salts are not considered. (2) Only the compounds with the common elements C, H, O, N, S, P, Si, F, Cl, Br, or I are collected. (3) The same compound labeled with the different taste qualities will be excluded. (4) The duplicated compounds from the different sources will be removed. Based on these criteria, all the compounds are curated as the Tripos mol2 format.