Added 1 molecules from epoch 18780 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -84,3 +84,4 @@ rxn:3:56432:17882:90730,Cc1cc(C)nc(-n2nccc2-c2cn(CC3CC3c3ccc(F)c(CC(=O)NCC(C)(F)
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| 84 |
rxn:2:143804:91384,Cc1nn(-c2ncnc3c2cnn3C)c(C)c1NC1CCC(Cc2ccc3c(c2)CCCC3)CC1,FDHHJLAXUMCKRE-UHFFFAOYSA-N
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| 85 |
rxn:5:192174:228737:227656,COc1ccc(-c2cnc(OC(C)C)c(-c3cc(N4CCOCC4)cs3)c2)c(C)n1,ZUYSZFFHHNXQFN-UHFFFAOYSA-N
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| 86 |
rxn:2:132807:163861,Cc1ccc(C(NC2CCc3c(-c4cccc(C)c4)cccc32)c2cccs2)cc1,HVKOVDXZNLBIGC-UHFFFAOYSA-N
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| 84 |
rxn:2:143804:91384,Cc1nn(-c2ncnc3c2cnn3C)c(C)c1NC1CCC(Cc2ccc3c(c2)CCCC3)CC1,FDHHJLAXUMCKRE-UHFFFAOYSA-N
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| 85 |
rxn:5:192174:228737:227656,COc1ccc(-c2cnc(OC(C)C)c(-c3cc(N4CCOCC4)cs3)c2)c(C)n1,ZUYSZFFHHNXQFN-UHFFFAOYSA-N
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| 86 |
rxn:2:132807:163861,Cc1ccc(C(NC2CCc3c(-c4cccc(C)c4)cccc32)c2cccs2)cc1,HVKOVDXZNLBIGC-UHFFFAOYSA-N
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| 87 |
+
rxn:4:209319:225243,Cc1cc(-c2ccccc2-c2cccnc2-c2ccc(F)c(F)c2)[nH]n1,IJLVPPZTRBSCJX-UHFFFAOYSA-N
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