Mercurial > repos > recetox > matchms_remove_key

annotate test-data/metadata_merge/metadata.csv @ 7:0676c9aeaeac draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit c626c8db7ba4dd30f85f7086e16e1e2413e36bd8
author recetox
date Mon, 22 Apr 2024 08:36:40 +0000
parents ea891750acfc
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
1 Name,inchikey,SMILES
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
2 ADP,XTWYTFMLZFPYCI-UHFFFAOYSA-N,C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
3 Kojic acid,BEJNERDRQOWKJM-UHFFFAOYSA-N,C1=C(OC=C(C1=O)O)CO
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
4 Cyclizine,,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3