Fellow Researcher,

I am investigating the solubility prediction of binary solute systems in Natural Deep Eutectic Solvents (NADES) using COSMO-RS (COSMO-quick >> solubility prediction). 

I am facing difficulties incorporating Choline Chloride and Betaine into the simulation. 

These compounds are missing from the internal database, and attempts to import them via SMILES strings, even manual structure drawing result in an 'invalid' status (red row notification) during the run. 

I suspect this is due to the ionic nature of the components. Could you provide guidance on the correct procedure for defining these salts/zwitterions in COSMO-quick?

Regards,