The default library from LigBuilder and the four commercial libraries (Table ) were used with all the hydrogen atoms as growing points for the molecular assembly. The growing points for the three fragment libraries constructed with RECAP were selected, taking into account the site where the fragmentation was made. The RECAP fragment libraries were analyzed using DataWarrior 05.05.00 to identify the fragmentation site. Using the molecule viewers BIOVIA Discovery Studio Visualizer 24.1.0.23298 and PyMol 2.5 , the hydrogen atom or atoms where the fragmentation occurred were identified and marked as the growing site for each fragment.