Sounds like a problem for the Joiner node, but I am not sure if this helps in this case. I would recommend to have a look into the Reference Column Filter node. This node will give you all column that match or don't match with a so-called reference table. The result need to be "merged" with the original table. How would you merge rows that appear in one but not in the other table?

I would use the Joiner node, and choose to Join by the smiles column (so change it from RowID to smiles)

You choose how you want the behaviour of the join to operate.

If you only want the output to contain a table where the molecules where in both tables, choose Inner Join. If you want all entries in the output, regardless of whether there was a match in both tables or not, choose Full Outer Join.

All other columns will be automatically appended, but if you only want specific columns, go to the "Column Selection" tab in the Joiner node and hand pick the desired columns.

Hope this helps,

Simon.

As far as I can tell simply selecting the full outer join option in the joiner node should give the desired output. Select smiles columns for the join.

Simon.

Did you select the "duplicate" column that you want to include from the second table within the dialog tab "Column Selection"?

Next try. I guess you are complaining about the join columns which contain missing values (?) in this case no match in the left/right table was found. This is a known limitation of the Joiner and can be fixed using the Column Merger afterwards.

Did you un-check the 'filter joined columns' boxes for the left and right tables?

And, is it working using the Column Merger?

You have to do it for each ColumnPair separately.