Mercurial > repos > metexplore > met4j

comparison tools/attributes/GetMetaboliteAttributes/test-data/tests.tsv @ 9:0976a6257300 draft

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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 05db35f63cadb9d56dafff594a3507c59cd85273
author metexplore
date Fri, 31 Jan 2025 18:28:53 +0000
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8:1274e2a62479 9:0976a6257300
1 id name formula charge smiles inchi
2 A A null 0 null null
3 B B null 0 null null
4 A_ext A_ext null 0 C[C@@H](C(=O)O)NC 1S/C2H6O/c1-2-3/h3H,2H2,1H3
5 C C null 0 null null
6 D D null 0 null null
7 E E null 0 null null
8 D_ext D_ext null 0 null null
9 E_ext E_ext null 0 null null