Added 1 molecules from epoch 18811 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -113,3 +113,4 @@ rxn:3:43162:19497:85564,Cc1cc(-c2ccccc2)cc(NC(=O)Cc2cc(C#CCn3cc(-c4cnn(Cc5c(C)cc
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| 113 |
rxn:4:221496:228467,COC(=O)c1cc(-c2cncc(C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)c2)c(F)s1,FACBFMALAJZPIU-UHFFFAOYSA-N
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| 114 |
rxn:2:94001:167106,CC(NCCc1c(C2CCC2)n[nH]c1C1CCCC1)c1cccnc1-c1cccc2ccoc12,HOJCXFQLVSFRED-UHFFFAOYSA-N
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| 115 |
rxn:3:40740:7657:99736,O=C(NCc1ccc(S(=O)(=O)F)cc1)c1cc(C=CCn2cc(-c3nc4c(s3)CCC4)nn2)ccc1F,FBAJYDUABQXSMS-UHFFFAOYSA-N
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| 113 |
rxn:4:221496:228467,COC(=O)c1cc(-c2cncc(C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)c2)c(F)s1,FACBFMALAJZPIU-UHFFFAOYSA-N
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| 114 |
rxn:2:94001:167106,CC(NCCc1c(C2CCC2)n[nH]c1C1CCCC1)c1cccnc1-c1cccc2ccoc12,HOJCXFQLVSFRED-UHFFFAOYSA-N
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| 115 |
rxn:3:40740:7657:99736,O=C(NCc1ccc(S(=O)(=O)F)cc1)c1cc(C=CCn2cc(-c3nc4c(s3)CCC4)nn2)ccc1F,FBAJYDUABQXSMS-UHFFFAOYSA-N
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| 116 |
+
rxn:4:187040:223034,COc1ccc(-c2cncc(C(=O)NC(C)(C)C)c2)c(CN(C)C2CCC2)c1,QGWYPSCLSNRGEJ-UHFFFAOYSA-N
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