changes in chemical.inp

Dear all,

I am a totally new Toughreact user so please forgive me if my question is a bit stupid. I want to modify the chemical.inp from one of the Toughreact examples (1d-CO2). My problem is that unfortunately I don't have a h2O, AlO2 and O2(aq) concentrations. My solution is reservoir chemistry. Can I remove them and run it or do I need them? One more thing is that I can see in the input file, two columns for the water types, one guess and one ctot. I am having initial and boundary concentrations, so which one is which?

Thank you very much in advance. Your help will be very much appreciated. 

Kind regards,

Nikol