Mercurial > repos > bgruening > openbabel_spectrophore_search
annotate test-data/obremsmall_on_3_mol.smi @ 6:0b9ee280c439 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 3ba9268697beb4827bd9e8e639e70166f224cb8b
author | bgruening |
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date | Mon, 03 Sep 2018 16:41:49 -0400 |
parents | 7133973beaf0 |
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7133973beaf0
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
parents:
diff
changeset
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1 CC(=O)OC1=CC=CC=C1C(=O)[O-] |
7133973beaf0
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
parents:
diff
changeset
|
2 CC(=O)OC1=CC=CC=C1C(=O)[O-] |