Dear CDK team,
I would like to use your substructure search node.
Unfortunately it cannot deal with explicit hydrogens. But that is really crucial to my search, as I need to limit in which direction my molecule is “growing”.
here examples for query and molecule:
is this a bug or a missing feature?
would be great if this would work.
2nd question for understanding:
does the node automatically also create the tautomers of the molecules that are compared in order not to miss a match that is “hidden” in tautomerization?