Added 1 molecules from epoch 18815 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -117,3 +117,4 @@ rxn:4:187040:223034,COc1ccc(-c2cncc(C(=O)NC(C)(C)C)c2)c(CN(C)C2CCC2)c1,QGWYPSCLS
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| 117 |
rxn:1:56638:35330,CC(NC(=O)c1cn2ccsc2n1)c1cn(CC2CC2c2cccc(C3OCCO3)c2)nn1,NPKFTJJRJSCNON-UHFFFAOYSA-N
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| 118 |
rxn:4:175880:226307,COCc1cc(C)cc(-c2cccc(C(=O)CCc3ccccc3C)c2)c1OC,XDHZLKLVPDEAIF-UHFFFAOYSA-N
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| 119 |
rxn:2:124121:72704,Cn1cc(N2CCCC(NC3CCCOC3(C)C)C2)cn1,DWVVBMIQRZQONH-UHFFFAOYSA-N
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| 117 |
rxn:1:56638:35330,CC(NC(=O)c1cn2ccsc2n1)c1cn(CC2CC2c2cccc(C3OCCO3)c2)nn1,NPKFTJJRJSCNON-UHFFFAOYSA-N
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| 118 |
rxn:4:175880:226307,COCc1cc(C)cc(-c2cccc(C(=O)CCc3ccccc3C)c2)c1OC,XDHZLKLVPDEAIF-UHFFFAOYSA-N
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| 119 |
rxn:2:124121:72704,Cn1cc(N2CCCC(NC3CCCOC3(C)C)C2)cn1,DWVVBMIQRZQONH-UHFFFAOYSA-N
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| 120 |
+
rxn:5:199106:227952:228107,CCC(C)c1ncncc1-c1ccnc2ccc(-c3cc(C)c(C#N)cc3C)c(C)c12,KGYZTUCMQHINQL-UHFFFAOYSA-N
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