Mercurial > repos > bgruening > ctb_rdkit_descriptors

view test-data/mols.smi @ 9:0993ac4f4a23 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 16:40:00 +0000
parents 414edd9ea77d
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