I can see how to read an sd file using SDMolSupplier and using mol.GetProp()
to get the tag data from the file.
But, I have each molblock (chunk of lines between $$$$ in an sdf file)
in a separate string.  I don't see a way to get properties from that
molblock string or
even better from the mol=Chem.MolFromMolBlock(molblock)
E.g. mol.GetPropNames() returns a null array (or just the private and
computed props if mol.GetPropNames(True,True)
Can you give me some hints on how I might get the property tag data
from a string molblock?

TJ O'Donnell

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