File: smi_isomorphism_002.sh

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smiles-scripts 0.3.0%2Bsvn878%2Bbranch%2Bsystem%2Bdeps-2
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#!/bin/bash

echo -e "XXXXXXX\tS([O-])([O-])([O-])([O-]).[Mg+2]\t[Mg+2].S(=O)(=O)([O-])[O-]" \
    | smi_isomorphism