Among all torsions sharing the same center bond, the one with the largest side groups, by number of atoms, was picked. For the compounds in the Coverage Set, we used the SMIRNOFF force field to label the torsions in each molecule and selected the first five dihedral angles that match each torsion term for scanning. (Note, however, that the force field term t155b was added after this dataset was created, so no torsion was selected for that term.)