Added 1 molecules from epoch 18742 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -50,3 +50,4 @@ rxn:4:214948:223183,CCOC(=O)c1nnc2ccc(-c3ccc(S(=O)(=O)NC)cc3C)cn12,ZLPOFOYLEUQGH
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| 50 |
rxn:4:216391:223869,CCOc1ccc(-c2cnc(C#N)nc2Cl)cc1OCc1ccccc1,NNKYTRCTCIUFDG-UHFFFAOYSA-N
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| 51 |
rxn:5:179756:228816:227438,Cc1nc(C)c(-c2ccccc2Oc2cccc(-c3ccnc(C4CCOC4)c3)c2)c(C)n1,GVIZKTCIHZZIFJ-UHFFFAOYSA-N
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| 52 |
rxn:3:44731:15566:82253,Cc1c(C#CCCn2cc(Cn3cc(C#N)c(CC4CCC4)n3)nn2)cccc1C(=O)NCC1CC2(CCCCC2)C1,DJPAIAIFVLFJGU-UHFFFAOYSA-N
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| 50 |
rxn:4:216391:223869,CCOc1ccc(-c2cnc(C#N)nc2Cl)cc1OCc1ccccc1,NNKYTRCTCIUFDG-UHFFFAOYSA-N
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| 51 |
rxn:5:179756:228816:227438,Cc1nc(C)c(-c2ccccc2Oc2cccc(-c3ccnc(C4CCOC4)c3)c2)c(C)n1,GVIZKTCIHZZIFJ-UHFFFAOYSA-N
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| 52 |
rxn:3:44731:15566:82253,Cc1c(C#CCCn2cc(Cn3cc(C#N)c(CC4CCC4)n3)nn2)cccc1C(=O)NCC1CC2(CCCCC2)C1,DJPAIAIFVLFJGU-UHFFFAOYSA-N
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| 53 |
+
rxn:1:51480:21146,COc1ccc(C(C)n2nc(C3CCCCC3)cc2-c2cn(CC3C(c4cccc5c4oc4ccccc45)C3(F)F)nn2)cc1F,FWNSIXGZUUAYLO-UHFFFAOYSA-N
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