Mercurial > repos > bgruening > rdconf

comparison test-data/mols.smi @ 0:5c501eb8d56c draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit c1d813d3f0fec60ea6efe8a11e59d98bfdc1636f"
author bgruening
date Sat, 04 Dec 2021 16:39:31 +0000
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-1:000000000000 0:5c501eb8d56c
1 NCCCCC(N)C(=O)O lysine
2 O=C(O)C(N)C alanine
3 N[C@@H](CC1=CC=CC=C1)C(O)=O phenylanaline