These omissions were motivated by the intention to take a set of adsorption complexes obtained via a consistent computational approach as starting point. In Part 2, additional adsorption complexes of ACA, IBU, and TCS adsorbed in MOR were investigated. These configurations were generated via an MD-based annealing approach, using the Forcite module of the DS BIOVIA "Material Studio" suite. For each system, two annealing runs, each consisting of 25 heating-cooling cycles within a temperature interval between 300 and 1000 K, were performed, employing the DREIDING force field. At the end of each heating-cooling cycle, the structures were optimised with the same force field. For ACA/IBU/TCS, 2/4/4 adsorption complexes were selected from the annealing results. These were studied together with the configurations that were already included in Part 1, so a total of 3/5/5 configurations were considered.