File: smi_isomorphism_010.sh

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

echo -e "XXXXXXX\tC(C1=CC=C(C(=O)O)C=C1)(=O)O.N1=C(C=CC=C1)C1=CC=CC2=CC=CC(=C12)C1=NC=CC=C1\tOC(=O)c1ccc(cc1)C(=O)O.n1ccc(c2cccc3cccc(c23)c2ccncc2)cc1" \
    | smi_isomorphism