Mercurial > repos > bgruening > openbabel_spectrophore_search
annotate test-data/obrmions_on_2_mol.smi @ 15:f5d7ffbb2d33 draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit d9c51279c061a1da948a2582d5b502ca7573adbf
author | bgruening |
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date | Thu, 15 Aug 2024 11:03:22 +0000 |
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)Oc1ccccc1C(=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)Oc1ccccc1C(=O)[O-] |