Mercurial > repos > tduigou > rp2paths
view test-data/rp2paths_compounds.tsv @ 1:e3db7fb2c85e draft
"planemo upload commit f40274f6b9f6a15eb4022aab21286d4c96cd8475-dirty"
| author | tduigou |
|---|---|
| date | Tue, 22 Feb 2022 11:31:06 +0000 |
| parents | 2782bee7c5a6 |
| children |
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Compound ID Structure CMPD_0000000003 [H]Oc1c([H])c([H])c([H])c([H])c1O[H] CMPD_0000000005 [H]c1c([H])c([H])c(N([H])[H])c([H])c1[H] CMPD_0000000007 [H]OC(=O)c1c([H])c([H])c([H])c([H])c1O[H] CMPD_0000000008 [H]OC(=O)c1c([H])c([H])c([H])c([H])c1[H] CMPD_0000000009 [H]Oc1c([H])c([H])c([H])c([H])c1[H] CMPD_0000000010 [H]OC(=O)c1c([H])c([H])c(O[H])c(O[H])c1[H] CMPD_0000000015 [H]OC(=O)c1c([H])c([H])c(N([H])O[H])c([H])c1[H] CMPD_0000000020 [H]OC(=NC([H])([H])C([H])([H])SC(=O)c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C([H])([H])N=C(O[H])C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C1([H])OC([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)C([H])(O[H])C1([H])OP(=O)(O[H])O[H] CMPD_0000000025 [H]OC(=O)c1c([H])c([H])c([H])c(O[H])c1[H] CMPD_0000000028 [H]c1c([H])c([H])c(OC(=O)C([H])([H])[H])c([H])c1[H] MNXM1 [H+] MNXM01 [H+] MNXM10 [H]N=C(O[H])C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C3([H])OC([H])(n4c([H])nc5c(N([H])[H])nc([H])nc54)C([H])(O[H])C3([H])O[H])C([H])(O[H])C2([H])O[H])C([H])=C([H])C1([H])[H] MNXM11 [H]OP(=O)(O[H])OP(=O)(O[H])O[H] MNXM1132 [H]OC(=O)C([H])([H])C([H])([H])C(=O)c1c([H])c([H])c([H])c([H])c1C(=O)SC([H])([H])C([H])([H])N=C(O[H])C([H])([H])C([H])([H])N=C(O[H])C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C1([H])OC([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)C([H])(O[H])C1([H])OP(=O)(O[H])O[H] MNXM12 [H]OC(=NC([H])([H])C([H])([H])S[H])C([H])([H])C([H])([H])N=C(O[H])C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C1([H])OC([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)C([H])(O[H])C1([H])OP(=O)(O[H])O[H] MNXM164 [H]OC(=O)c1c([H])c([H])c(O[H])c([H])c1[H] MNXM188 [H]OC(=O)c1c([H])c([H])c([H])c([H])c1N([H])[H] MNXM2 [H]O[H] MNXM25 [H]OC(=O)C([H])([H])C([H])([H])C(=O)O[H] MNXM337 [H]OC(=O)C(OC1([H])C([H])=C(C(=O)O[H])C([H])=C([H])C1([H])O[H])=C([H])[H] MNXM4 O=O MNXM421 [H]OC(=O)c1c([H])c([H])c(N([H])[H])c([H])c1[H] MNXM438 [H]OC(=O)C([H])=C([H])c1c([H])c([H])c([H])c([H])c1[H] MNXM455 [H]OC(=O)c1c([H])c([H])c([H])c(O[H])c1O[H] MNXM473 [H]C(=O)C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] MNXM497 [H]OC(=O)C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] MNXM6 [H]N=C(O[H])C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C3([H])OC([H])(n4c([H])nc5c(N([H])[H])nc([H])nc54)C([H])(OP(=O)(O[H])O[H])C3([H])O[H])C([H])(O[H])C2([H])O[H])C([H])=C([H])C1([H])[H] MNXM611 [H]OC(=O)C1=C([H])C(=O)C([H])(O[H])C([H])(O[H])C1([H])[H] MNXM76 [H]OC(=O)C([H])(N([H])[H])C([H])([H])c1c([H])c([H])c(O[H])c([H])c1[H] MNXM799 [H]OC(=O)C(OC1([H])C([H])=C([H])C([H])=C(C(=O)O[H])C1([H])O[H])=C([H])[H] TARGET_0000000001 [H]OC(=O)C([H])=C([H])C([H])=C([H])C(=O)O[H]