Mercurial > repos > computational-metabolomics > cfmid
diff test-data/annotations.tsv @ 0:41c4de0ed4ec draft default tip
planemo upload for repository https://github.com/computational-metabolomics/cfm-galaxy/tree/master/tools/cfm commit f0157bb3b01871411f27c1d5bd4ccee2039335d0
author | computational-metabolomics |
---|---|
date | Wed, 15 Nov 2023 16:28:04 +0000 |
parents | |
children |
line wrap: on
line diff
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/annotations.tsv Wed Nov 15 16:28:04 2023 +0000 @@ -0,0 +1,7 @@ +UID Rank Score Identifier InChI +5 1 1 HMDB0000123 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) +5 2 1 HMDB0031239 InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3 +5 3 0.66666667 HMDB0014691 InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4) +9 1 0.89839572 HMDB0002151 InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 +19 1 1.1336898 HMDB0002039 InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6) +19 2 0.71657754 HMDB0060427 InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3