annotate test-data/3-rp2paths_compounds.tsv @ 0:98d925a75257 draft

"planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
author tduigou
date Tue, 23 Nov 2021 13:45:45 +0000
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98d925a75257 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
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1 Compound ID Structure
98d925a75257 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
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2 CMPD_0000000001 [H]C(=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
98d925a75257 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
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3 CMPD_0000000003 [H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
98d925a75257 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
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4 MNXM100 [H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
98d925a75257 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
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5 MNXM132 [H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
98d925a75257 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
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6 MNXM34 [H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
98d925a75257 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
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7 MNXM83 [H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])[H]
98d925a75257 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
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8 TARGET_0000000001 [H]C(=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]