Mercurial > repos > recetox > matchms_remove_spectra

diff test-data/metadata_merge/metadata.csv @ 0:80df426e7e47 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 113433b8b9790405c2c5d054aee4a29a21b77dc7
author recetox
date Thu, 30 May 2024 18:07:29 +0000
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/metadata_merge/metadata.csv	Thu May 30 18:07:29 2024 +0000
@@ -0,0 +1,4 @@
+Name,inchikey,SMILES
+ADP,XTWYTFMLZFPYCI-UHFFFAOYSA-N,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
+Kojic acid,BEJNERDRQOWKJM-UHFFFAOYSA-N,C1=C(OC=C(C1=O)O)CO
+Cyclizine,,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
\ No newline at end of file