Added 1 molecules from epoch 18734 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -42,3 +42,4 @@ rxn:5:197429:228617:228337,CCOc1cc(F)c(-c2ccc(-c3c(C)cccc3OC)c3[nH]cc(C(C)=O)c23
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| 42 |
rxn:5:181736:226073:227370,N#Cc1ccc2cc(-c3ccccc3-c3ccc(-c4ccc(OC5CC5)c(F)c4)cc3)ccc2c1,ORGHZZOVVRNXKI-UHFFFAOYSA-N
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| 43 |
rxn:5:194507:226201:228967,CC(C)n1cc2cc(-c3cc(-c4cn(C)nc4C(F)F)cc4c3ccn4S(=O)(=O)c3ccccc3)ccc2n1,NSMUEUVEUNIJIV-UHFFFAOYSA-N
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| 44 |
rxn:3:44520:544:88939,CCC(C)C(C)CNC(=O)c1cc(C#CCCn2cc(-c3cc(F)ccc3C#N)nn2)ccn1,JCVJIFOPHXASDW-UHFFFAOYSA-N
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| 42 |
rxn:5:181736:226073:227370,N#Cc1ccc2cc(-c3ccccc3-c3ccc(-c4ccc(OC5CC5)c(F)c4)cc3)ccc2c1,ORGHZZOVVRNXKI-UHFFFAOYSA-N
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| 43 |
rxn:5:194507:226201:228967,CC(C)n1cc2cc(-c3cc(-c4cn(C)nc4C(F)F)cc4c3ccn4S(=O)(=O)c3ccccc3)ccc2n1,NSMUEUVEUNIJIV-UHFFFAOYSA-N
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| 44 |
rxn:3:44520:544:88939,CCC(C)C(C)CNC(=O)c1cc(C#CCCn2cc(-c3cc(F)ccc3C#N)nn2)ccn1,JCVJIFOPHXASDW-UHFFFAOYSA-N
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| 45 |
+
rxn:3:50672:39010:68828,Cc1cncc(-c2cn(CC3C(c4cc(F)ccc4C(=O)Nc4cccc(Oc5ccsc5)c4)C3(F)F)nn2)n1,VLZVUVQSZOWJOQ-UHFFFAOYSA-N
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