Hi,

> Can you give us an example file or two? This would help us debug by 
> reproducing the problem.

Yes, 2 smiles are included in the code:

mol1 = pybel.readstring("smi", "C1(=Cc2cn(nc2)CC(=O)N)C(=O)NC(=O)S1")
mol2 = pybel.readstring("smi", "C1(=CC2=C(N=C(C2)C(=O)N)C)C(=O)NC(=O)S1")

I may search a few more if needed.

Regards,
Pascal

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