Added 1 molecules from epoch 18809 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -111,3 +111,4 @@ rxn:2:125751:119956,CCC1CCc2ccccc2C1NCC#Cc1cscn1,SCVWWKLNDFYKQQ-UHFFFAOYSA-N
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| 111 |
rxn:3:50658:29051:117395,CC1CC(C)Oc2cc(C(C)NC(=O)c3ccc(C4C(Cn5cc(-c6cnc7c(c6)CCCN7C)nn5)C4(F)F)c(F)c3)ccc2O1,BPAXPGRMIJPAJG-UHFFFAOYSA-N
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| 112 |
rxn:3:43162:19497:85564,Cc1cc(-c2ccccc2)cc(NC(=O)Cc2cc(C#CCn3cc(-c4cnn(Cc5c(C)cccc5C)c4)nn3)ccc2F)c1C,DZSBGCUMJGXZFM-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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| 111 |
rxn:3:50658:29051:117395,CC1CC(C)Oc2cc(C(C)NC(=O)c3ccc(C4C(Cn5cc(-c6cnc7c(c6)CCCN7C)nn5)C4(F)F)c(F)c3)ccc2O1,BPAXPGRMIJPAJG-UHFFFAOYSA-N
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| 112 |
rxn:3:43162:19497:85564,Cc1cc(-c2ccccc2)cc(NC(=O)Cc2cc(C#CCn3cc(-c4cnn(Cc5c(C)cccc5C)c4)nn3)ccc2F)c1C,DZSBGCUMJGXZFM-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 |
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rxn:2:94001:167106,CC(NCCc1c(C2CCC2)n[nH]c1C1CCCC1)c1cccnc1-c1cccc2ccoc12,HOJCXFQLVSFRED-UHFFFAOYSA-N
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