Hello,
Suppose I have the following molecule
m = 'CN1C=CC(=O)NC1=O'
I would like to be able to use a SMARTS pattern
pattern = '[a]1:[a][a]:[a]:[a]:a]1'
to recognize the 6 atoms in a typical aromatic ring, but
I do not want to recognize the 6 atoms in the molecule,
m, as aromatic. In other words, I am trying to write
a specific exclusion.
Is it possible to modify the SMARTS pattern to
exclude the above molecule? I have tried using
recursive SMARTS, but I can't get the syntax to
work.
Any ideas? Thank you.
Regards,
Jim Metz
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