Mercurial > repos > bgruening > openbabel_spectrophore_search

diff test-data/obremsmall_on_3_mol.smi @ 0:7133973beaf0 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
author bgruening
date Sat, 20 May 2017 08:40:10 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/obremsmall_on_3_mol.smi	Sat May 20 08:40:10 2017 -0400
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+CC(=O)OC1=CC=CC=C1C(=O)[O-]
+CC(=O)OC1=CC=CC=C1C(=O)[O-]