I am trying to use RDKit Molecule Substructure Filter, to find structures that contain multiple specified substructures.
Here is the workflow:
RDKit_substructre_fail.knwf (186.0 KB)
The substructures I am looking for are:
And some of the structures that are in the list (that I believe should be matches):
RDKit Molecule Substructure Filter configuration:
I do believe at least some (if not all) of these structures should be a match to all of the substructures.
Can someone explain what am I doing wrong since no matches are returned?
P.s. I tried aromatizing and dearomatizing both the query molecules and the molecule list, it did not change anything.
P.p.s. I am using KNIME version 4.5.0 and RDKit Nodes Feature 4.3.0.v202106041552