In order to gain physical insight into the binding process of the top CHEMBL compounds to neuraminidase, 11 selected compounds were docked into the binding site of neuraminidase. Table in SI shows docking energy which ranges from -12 to -9 kcal/mol. Docking poses of 11 compounds binding to neuraminidase are showed in Table in SI. For most of these poses, at least two hydrogen bonds were formed between the ligand and receptor's residues.