Post #1978209
2026-04-15 14:32 UTC
@molecule With my modifications to the RDKit SMARTS matcher:
>>> mol = Chem.MolFromSmiles("FS(F)(F)(F)(F)N(S(F)(F)(F)(F)(F))S(F)(F)(F)(F)(F)")
>>> pat = Chem.MolFromSmarts("[$([d6](*)(*)(*)(*)(*)*)]")
>>> print(len(mol.GetSubstructMatches(pat)))
2
>>> pat = Chem.MolFromSmarts("[d6#-6]")
>>> print(len(mol.GetSubstructMatches(pat)))
3
>>>
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