Use SMILES instead of InChIKey for qm uniqueID
Use SMILES instead of InChIKey for qm uniqueID

With RDKit's canonical SMILES implemented, use this to
represent the file names and folders. InChIKeys are not
always unique.

nickvandewiele/RMG-Py,nyee/RMG-Py,nyee/RMG-Py,enochd/RMG-Py,pierrelb/RMG-Py,chatelak/RMG-Py,chatelak/RMG-Py,pierrelb/RMG-Py,enochd/RMG-Py,nickvandewiele/RMG-Py