In addition to the enhanced coordinate perception, the parser recognizes most other elements, which are available from the structures (Figure ). Labeling the atoms proves useful for subsequent direct referencing of atoms in the code (see Section 3). Specifying attachment points provides a convenient handle for 3D combinatorial expansion. Abbreviated functional groups are allowed, so long as ChemDraw™ can expand them into valid structures. Isotopic notations and multi-center attachments are interpreted by the parser. Although some of this additional functionality is available in other codes, the convenience of a Python backend used by molli not only enhances the transparency of the workflow, but also ensures easy customizations by the users.