Added 1 molecules from epoch 18713 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -19,3 +19,4 @@ rxn:2:115576:154417,COc1ccc(C(NCC23CC(C2)C3)c2ccccc2SC)cc1,FDHZDGCAQBYEOR-UHFFFA
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| 19 |
rxn:4:216874:223516,Cc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2ccc(-c3nccc(F)n3)nc2)cc1,MGYQRDWOGZKZFT-UHFFFAOYSA-N
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| 20 |
rxn:1:58519:2077,CC1(C(=O)c2cn(CCCc3ccc(-c4ccc(Cl)cc4)o3)nn2)CCCNC1,XUFGSPJYYTVDKZ-UHFFFAOYSA-N
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| 21 |
rxn:5:195299:226325:228562,CCC(C)c1csc(-c2ncc(-c3ccc(C(C)(C)C#N)cc3F)cc2OC)c1,CHVKBDLFHZRXKT-UHFFFAOYSA-N
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| 19 |
rxn:4:216874:223516,Cc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2ccc(-c3nccc(F)n3)nc2)cc1,MGYQRDWOGZKZFT-UHFFFAOYSA-N
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| 20 |
rxn:1:58519:2077,CC1(C(=O)c2cn(CCCc3ccc(-c4ccc(Cl)cc4)o3)nn2)CCCNC1,XUFGSPJYYTVDKZ-UHFFFAOYSA-N
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| 21 |
rxn:5:195299:226325:228562,CCC(C)c1csc(-c2ncc(-c3ccc(C(C)(C)C#N)cc3F)cc2OC)c1,CHVKBDLFHZRXKT-UHFFFAOYSA-N
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| 22 |
+
rxn:1:61644:6937,NCCc1cc(-c2cnccn2)nn1Cc1cn([C@@H]2[C@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@H](O)[C@@H]2O)nn1,CUFIAVNCUDUNSG-OYTPZHDJSA-N
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