We used RDKit Morgan fingerprint features 65,66 for all virtual screening methods. We converted each compound SMILES to an RDKit mol object, removed salt counter ions using RDKit's SaltRemover function, and generated a Morgan fingerprint with length 1,024 and radius 2. Using the fingerprints, we then defined chemical relationships based on Tanimoto distance, which is equivalent to Jaccard distance and also defined as 1 -Tanimoto similarity.