One possible remedy for this is to enrich the SMILES with chiral tags reflecting the stereochemistry of the metal center. This information is available through the TMC 3D coordinates and it is possible to specify the geometry of a TMC and the arrangement of the ligands around the metal which could aid the model in learning geometry dependent properties like the dipole moment. However, in the current state of RDKit (2024.03.3) this functionality is unreliable and it was therefore not possible to incorporate stereochemistry of the TM into the SMILES. More details are outlined in S4.