Added 1 molecules from epoch 18775 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -79,3 +79,4 @@ rxn:5:179760:227848:222992,OC1CCCCN1c1ccc(-c2cccc(Sc3ccc(-c4cccc5cccnc45)cc3)c2)
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| 79 |
rxn:2:119055:169083,Cc1cc(-c2scnc2C)ccc1CNC(C)c1ccccc1C(F)(F)C(=N)SC1CCCC1,MWWDDGKEZXJOOJ-UHFFFAOYSA-N
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| 80 |
rxn:5:194507:227930:228514,O=S(=O)(c1ccccc1)n1ccc2c(-c3cccc(OC4CC4)c3)cc(-c3cccc(C4CC4)c3)cc21,AAGHNACDUJVHCG-UHFFFAOYSA-N
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| 81 |
rxn:1:64232:31329,Cc1cccc(-c2cn(CC3CC(=O)N(Cc4cccc5[nH]ncc45)C3)nn2)c1C(=O)O,NFJKQFBQNVEKPG-UHFFFAOYSA-N
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| 79 |
rxn:2:119055:169083,Cc1cc(-c2scnc2C)ccc1CNC(C)c1ccccc1C(F)(F)C(=N)SC1CCCC1,MWWDDGKEZXJOOJ-UHFFFAOYSA-N
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| 80 |
rxn:5:194507:227930:228514,O=S(=O)(c1ccccc1)n1ccc2c(-c3cccc(OC4CC4)c3)cc(-c3cccc(C4CC4)c3)cc21,AAGHNACDUJVHCG-UHFFFAOYSA-N
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| 81 |
rxn:1:64232:31329,Cc1cccc(-c2cn(CC3CC(=O)N(Cc4cccc5[nH]ncc45)C3)nn2)c1C(=O)O,NFJKQFBQNVEKPG-UHFFFAOYSA-N
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| 82 |
+
rxn:4:192176:227195,O=[N+]([O-])c1cc(-c2cc(F)cc3ccncc23)ccc1C1CC1,GEKZKGSUEHWYSJ-UHFFFAOYSA-N
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