Added 1 molecules from epoch 18697 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -15,3 +15,4 @@ rxn:2:113507:173057,Cc1ccc2ncc(-c3csc(C(C)Nc4ccc5c(c4)N(C(C)C)CC5)c3)cc2c1,ZKCFA
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| 15 |
rxn:2:102354:169963,Cc1cc2occc(=O)c2cc1-c1ccc(C(C)Nn2c(C(C)C)n[nH]c2=O)s1,LMOWFFAGPGGWNT-UHFFFAOYSA-N
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| 16 |
rxn:4:208488:228442,COc1cc(Cl)c(F)cc1-c1cc(C)n(C)c1C#N,DXEKTZOLRJERKK-UHFFFAOYSA-N
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| 17 |
rxn:2:75732:155886,CC1(C)CC(NCc2cc3n(n2)CC(c2cccs2)OC3)c2cc(-c3ccc4ncnn4c3)ccc2O1,YKTGPUJIZQYFKI-UHFFFAOYSA-N
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| 15 |
rxn:2:102354:169963,Cc1cc2occc(=O)c2cc1-c1ccc(C(C)Nn2c(C(C)C)n[nH]c2=O)s1,LMOWFFAGPGGWNT-UHFFFAOYSA-N
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| 16 |
rxn:4:208488:228442,COc1cc(Cl)c(F)cc1-c1cc(C)n(C)c1C#N,DXEKTZOLRJERKK-UHFFFAOYSA-N
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| 17 |
rxn:2:75732:155886,CC1(C)CC(NCc2cc3n(n2)CC(c2cccs2)OC3)c2cc(-c3ccc4ncnn4c3)ccc2O1,YKTGPUJIZQYFKI-UHFFFAOYSA-N
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| 18 |
+
rxn:2:115576:154417,COc1ccc(C(NCC23CC(C2)C3)c2ccccc2SC)cc1,FDHZDGCAQBYEOR-UHFFFAOYSA-N
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