Several new avenues for ligand design have been revealed by the present study. The data analysis provided rationalizations for some established ligand design trends, like the usefulness of the ethylene linker and the relatively unrestricted length of potential ligands. More consequentially, the results demonstrate that a broad range of linkers and side-chains can effectively promote perovskite formation with a diverse sampling of conjugated chemistries. These trends cannot be rationalized by simple lattice-based design rules, which are too conservative and do not acknowledge the opportunities afforded by ligand packing. The observation of alternating packing structures in the simulated dataset vividly illustrates this and suggests practically inexhaustible design possibilities for novel ligands, including targeting distinct ligand packing polymorphs, or designing multi-ligand phases. The simulations also suggest that high bond-angle variance structures are stable, even if not optimal for other properties. Should this prediction be born out, a future focus of ligand design may revolve around not merely whether a ligand can be successfully introduced within the lattice, but whether it can be introduced without electronically deleterious restructuring of the octahedra. Realizing these and other opportunities will be facilitated by high-throughput simulation paradigms like those developed here for navigating ligand design.