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The run_chemed function became redundant when the returned name for the SMILES value changed to ConnectivitySMILES, an argument has been added to reflect this and set the standard name to "ConnectivitySMILES"
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The run_chemed function became redundant when the returned name for the SMILES value changed to ConnectivitySMILES, an argument has been added to reflect this and set the standard name to "ConnectivitySMILES"