The SMILES of the active compounds (without salts) were used to generate decoys (50 decoy from each active compound) using LUDe 50 , a web application that produces decoys (presumably inactive compounds) selected for their physicochemical similarity and topological dissimilarity with active compounds. The default LUDe setting was used to generate the decoys, where the dissimilarity conditions were fingerprint radio: 2; fingerprint length: 1024; similarity metric: Tanimoto; maximum allowed similarity value, 0.2; limit of the fraction of the maximum common substructure: 0.5, and maximum similarity allowed between decoys and any of the actives: 0.2.