Mercurial > repos > bgruening > ctb_im_cluster_butina

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit d1d0ec4ebc97b2274b18a0aab99f41addd5357ae"
author bgruening
date Mon, 27 Jul 2020 11:33:10 -0400
parents ad2b25cca758
children
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     RDKit          

 12 12  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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  9 10  2  0
  9 11  2  0
  9 12  1  0
  8  3  1  0
M  END
$$$$