Mercurial > repos > bgruening > enumerate_charges
view test-data/mols.smi @ 3:36360fa103d6 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
---|---|
date | Tue, 28 Jul 2020 08:42:43 -0400 |
parents | 0f3e5c69251e |
children |
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NCCCCC(N)C(=O)O lysine O=C(O)C(N)C alanine N[C@@H](CC1=CC=CC=C1)C(O)=O phenylanaline