Mercurial > repos > recetox > recetox_msfinder

comparison test-data/log_smiles.smi @ 5:e7eff0c9baa3 draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox_msfinder commit c6bc00f50c232c1c7cbb2e6f838c14a0c1c20e05
author recetox
date Wed, 24 Jan 2024 13:26:32 +0000
parents ae66b58846cd
children
comparison
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4:ae66b58846cd 5:e7eff0c9baa3
1 smiles
1 Cl[Si]1Oc2ccccc2O1.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[Fe] 2 Cl[Si]1Oc2ccccc2O1.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[Fe]