Added 1 molecules from epoch 18769 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -75,3 +75,4 @@ rxn:1:57226:17215,Cc1ccc(CCCn2cc(Cn3c(=NC(=O)c4c(C)cnn4C)sc4cc(F)ccc43)nn2)cc1F,
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| 75 |
rxn:5:195637:223090:226588,Cc1cc([N+](=O)[O-])cc(-c2cc(OC3CCC3)ncc2F)c1-c1ccc2[nH]nc(C(F)(F)F)c2c1,IIQWTLNIPNZPGK-UHFFFAOYSA-N
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| 76 |
rxn:2:141562:89853,c1c(CNC2CCCC2CC2CC2)c(CC2CCCC2)nn1C1CCCC1,AQLXDNJMOVQBMF-UHFFFAOYSA-N
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| 77 |
rxn:2:122718:160030,CCc1nn(CC2CC2)cc1CNC1CCc2ccc(-c3cccc4ncnn34)cc21,IZJLVWVIQNVMIE-UHFFFAOYSA-N
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| 75 |
rxn:5:195637:223090:226588,Cc1cc([N+](=O)[O-])cc(-c2cc(OC3CCC3)ncc2F)c1-c1ccc2[nH]nc(C(F)(F)F)c2c1,IIQWTLNIPNZPGK-UHFFFAOYSA-N
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| 76 |
rxn:2:141562:89853,c1c(CNC2CCCC2CC2CC2)c(CC2CCCC2)nn1C1CCCC1,AQLXDNJMOVQBMF-UHFFFAOYSA-N
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| 77 |
rxn:2:122718:160030,CCc1nn(CC2CC2)cc1CNC1CCc2ccc(-c3cccc4ncnn34)cc21,IZJLVWVIQNVMIE-UHFFFAOYSA-N
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| 78 |
+
rxn:5:179760:227848:222992,OC1CCCCN1c1ccc(-c2cccc(Sc3ccc(-c4cccc5cccnc45)cc3)c2)cc1,HUCMHVUQUCONKA-UHFFFAOYSA-N
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