[Rdkit-discuss] Molfile from smiles

[Santiago F. <san...@me...>]

Good morning

          I am trying to generate a molfile from smiles, using the RDKit C++ implementation.
          But in some cases the result molfile is like the one in the attached image.

          My code is something like this:

string molecule = "C1=CC2=[N](C=C1)[Ir]134(C5=CC=CC=C25)C2=CC=CC=C2C2=[N]1C=CC=C2.C1=CC(C2=CC=CC=C32)=[N]4C=C1";
RDKit::ROMol* mol = RDKit::SmilesToMol(molecule, 0, false, nullptr);
mol->updatePropertyCache(false);
RDDepict::preferCoordGen = true;
RDDepict::compute2DCoords(*mol);
string molfile = RDKit::MolToMolBlock(*mol, true, -1, false, true)

           How could I fix the molfile?

Regards
Santiago