Kneiding et al. provide the tmQMg-L dataset of 30K TMC ligand charges, metal coordination atoms and their corresponding 3D coordinates. Using this data in combination with xyz2mol we create TMC SMILES representations of the TMCs in tmQMg. This is done by first using xyz2mol to obtain SMILES strings for the isolated ligands in tmQMg-L and then combining them with a TM to form the full tmQMg TMCs. The approach is described in the following text.