Mercurial > repos > recetox > matchms_subsetting

view test-data/metadata_merge/metadata.csv @ 4:aa2e912f9dc2 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 0ea5c86ceabe9f24dd61b399127b0d19a0ae2657
author recetox
date Fri, 01 Dec 2023 11:17:01 +0000
parents 35afaff7c41e
children
line wrap: on
line source

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