Mercurial > repos > recetox > matchms_formatter
annotate test-data/metadata_merge/metadata.csv @ 23:34439ffa6a60 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
author | recetox |
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date | Mon, 05 Feb 2024 10:39:25 +0000 |
parents | afc881c21a62 |
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afc881c21a62
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
recetox
parents:
diff
changeset
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1 Name,inchikey,SMILES |
afc881c21a62
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
recetox
parents:
diff
changeset
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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 |
afc881c21a62
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
recetox
parents:
diff
changeset
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3 Kojic acid,BEJNERDRQOWKJM-UHFFFAOYSA-N,C1=C(OC=C(C1=O)O)CO |
afc881c21a62
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c
recetox
parents:
diff
changeset
|
4 Cyclizine,,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 |