File: smi_isomorphism_013.sh

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#!/bin/bash

echo -e "XXXXXXX\tC(C(=O)[O-])(=O)[O-].[NH3+][C@@H](C)C(=O)O.[NH3+][C@@H](C)C(=O)O\t[NH3+][C@H](C(=O)O)C.OC(=O)C(=O)[O-]" \
    | smi_isomorphism