Compound Selection for Testing The Liquid Stock Collection from February 2023 comprising approximately 270 thousand compounds from the vendor Enamine was chosen. A compound standardization was performed which involved removal of compounds having a minimum heavy atom count of 20 and maximum heavy atom count of 50, MedChem filters, structure canonicalization, and duplicate removal. Next, common compounds present in the internal MPI dataset were removed. logP and bpKa were calculated by ChemAxon Marvin cxcalc version 22.22.0 () -the compounds present outside the PhysChem window were removed. To remove promiscuous compounds from the data in the following step, filtering proposed by Novartis Institutes of BioMedical Research (NIBR), which includes filters for the PAINS filter families A and B, was performed. The purchased compounds have at least a purity of 90 percent, measured by Liquid chromatography-mass spectrometry (LC-MS). More details can be found in the Supplementary Information.