Mercurial > repos > bgruening > openbabel_remove_protonation_state
annotate test-data/CID_2244.smi @ 6:44488fa95d1d 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 16:42:04 -0400 |
parents | 0eabdfaef1d1 |
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0eabdfaef1d1
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
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1 O(c1c(cccc1)C(=O)O)C(=O)C 2244 |