Added 1 molecules from epoch 18723 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -29,3 +29,4 @@ rxn:2:165164:145923,Cc1ccc(-c2cnc(N3CCC(Nc4cc(C5(C)COC5)nn4-c4ccccc4)C3)nc2)cc1,
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| 29 |
rxn:3:43040:8709:83272,CC(C)[C@@H](NC(=O)c1cc(C#CCn2cc(-c3ccc(C(F)F)nc3)nn2)cnc1F)c1ccsc1,MDGKFKCNCCEVPR-JOCHJYFZSA-N
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| 30 |
rxn:1:64973:22908,Nc1cc(C2CNC2)nn1-c1cncc(-c2cn(CC3CC(=O)N(c4ncc(Br)cc4Br)C3)nn2)c1,MPIIIGUYBCEDMW-UHFFFAOYSA-N
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| 31 |
rxn:1:46365:33292,Cc1cc(C=CCCn2cc(CN3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)nn2)cnc1C(=O)O,JOUFSXHFZWARHX-UHFFFAOYSA-N
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| 29 |
rxn:3:43040:8709:83272,CC(C)[C@@H](NC(=O)c1cc(C#CCn2cc(-c3ccc(C(F)F)nc3)nn2)cnc1F)c1ccsc1,MDGKFKCNCCEVPR-JOCHJYFZSA-N
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| 30 |
rxn:1:64973:22908,Nc1cc(C2CNC2)nn1-c1cncc(-c2cn(CC3CC(=O)N(c4ncc(Br)cc4Br)C3)nn2)c1,MPIIIGUYBCEDMW-UHFFFAOYSA-N
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| 31 |
rxn:1:46365:33292,Cc1cc(C=CCCn2cc(CN3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)nn2)cnc1C(=O)O,JOUFSXHFZWARHX-UHFFFAOYSA-N
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| 32 |
+
rxn:5:194145:226597:228198,COC(=O)c1cc2c(-c3cc(F)c(OC(C)C)c(F)c3)cc(-c3cnc(C(C)C)nc3C)cc2[nH]1,YLQDOUQTWBOSOB-UHFFFAOYSA-N
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