Mercurial > repos > bgruening > ctb_rdkit_descriptors

view test-data/mols.smi @ 5:1cf3bab54ddd draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit 09b22cceacb34dd4c6c1b42890f93232df128208"
author bgruening
date Sat, 21 Mar 2020 14:04:00 -0400
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