substructure node cannot deal with explicit hydrogens

[egonw]

Reported on https://forum.knime.com/t/substructure-node-cannot-deal-with-explicit-hydrogens/45155:

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:

[H]OC(=O)c1ccccc1

O=C(O)c1c(cccc1)C(=O)C

is this a bug or a missing feature? :slight_smile:

[webbres]

I'll add some additional workflow tests for substructure searching in V2.

I think we need a new node anyway as the substructures can no longer be provided in the dialog via the sketcher so we can check this is working in the new version