Mercurial > repos > tduigou > inchi_to_sink

view test-data/sink_to-detect_choline.csv @ 0:ef125d2f57c3 draft

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"planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
author tduigou
date Mon, 31 Jan 2022 16:40:21 +0000
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"name","inchi"
"Choline","InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1"