Added 1 molecules from epoch 18746 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -54,3 +54,4 @@ rxn:1:51480:21146,COc1ccc(C(C)n2nc(C3CCCCC3)cc2-c2cn(CC3C(c4cccc5c4oc4ccccc45)C3
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| 54 |
rxn:5:181959:226192:228663,Cc1ccccc1-c1csc(-c2ccc(-c3cccc(-c4nc5ccccc5s4)c3C)cc2)c1,FQYFIWULAAOEEC-UHFFFAOYSA-N
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| 55 |
rxn:4:211954:222684,Cc1n[nH]c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c12,DKESUFQNZIKWBY-UHFFFAOYSA-N
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| 56 |
rxn:5:198280:227528:229201,COC(=O)c1ccc(-c2cc(-c3ccccc3C)cnc2C)cc1F,RRFVXASCVGTREH-UHFFFAOYSA-N
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| 54 |
rxn:5:181959:226192:228663,Cc1ccccc1-c1csc(-c2ccc(-c3cccc(-c4nc5ccccc5s4)c3C)cc2)c1,FQYFIWULAAOEEC-UHFFFAOYSA-N
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| 55 |
rxn:4:211954:222684,Cc1n[nH]c2cccc(-c3ccc(OCCN4CCNCC4)c(Cl)c3)c12,DKESUFQNZIKWBY-UHFFFAOYSA-N
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| 56 |
rxn:5:198280:227528:229201,COC(=O)c1ccc(-c2cc(-c3ccccc3C)cnc2C)cc1F,RRFVXASCVGTREH-UHFFFAOYSA-N
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| 57 |
+
rxn:3:62762:23171:99714,CS[C@@H]1CCCC[C@H]1NC(=O)C(c1cc(C)cc(C)c1)N1CC(Cn2cc(C3CCN(C4CCC4)CC3)nn2)CC1=O,UKUSMGLINNSUPY-PUZVDJLASA-N
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