Dear Greg
How I can raise the following error ?
291475, COc1ccc(cc1)\C=C1\[S]=C(Nc2ccc(cc2)S(N)(=O)=O)NC1=O |t:11|
Traceback (most recent call last):
File "/home/bouille/DescriptorsCalcul/3mon3D.py", line 85, in <module>
sdf3D = Chem.MolToMolBlock(molH)
ValueError: Sanitization error: Can't kekulize mol
Best Regards
Christian de Bouillé
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