The GBGA, without synthetic accessibility (SA) constraints, explored chemical space by iteratively applying crossover and mutation operations on ligand molecular graphs. The resulting ligands exhibited a diverse range of coordination sites, emphasizing the capability of GAs to discover novel structures. With SA constraints incorporated in the latter part of the study, the GA navigated towards ligands with improved synthetic accessibility while maintaining a E within the target range. The final population of ligands, identified after 40 generations, showcased diverse binding motifs and confirmed the GA's ability to discover ligands with desirable properties for catalysis.