According to the covPDB 61 database, the SARS-CoV-2 main protease is the protein with most covalent ligand complexes in the PDB at present, with 81 unique structures, all ligands bound to Cys145. Application of our quality filters resulted in 78 structures, and exclusion of two cases with reactions not implemented in the parameterization tools led to a set of 76 complexes (SARS-MP-76). As target structure for cross-docking we selected a complex presenting a wide, open cavity (PDB ID 7c7p).