The figure below presents a condensed version of the top 100 list, where each drug molecule is listed only once, regardless of how many times it appears with different conformations and docking poses. It also shows the estimated binding energies with and without the DFT conformational strain energies for the QFVina and QFVinardo results, and the last column indicates how many conformations and docking poses each drug represents in the top 20 of the top 100 list. A: The lines are connecting the same drug molecules, and the last column everywhere shows how many times the same drug occurs in the top20 of the top100 hit list with different poses and conformations.