Added 1 molecules from epoch 18716 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -23,3 +23,4 @@ rxn:1:61644:6937,NCCc1cc(-c2cnccn2)nn1Cc1cn([C@@H]2[C@H](Oc3ccc([N+](=O)[O-])cc3
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| 23 |
rxn:4:186379:225239,N#Cc1ccc(-c2ccc(-c3ccccc3F)nc2F)cc1OCc1ccccc1,NTOOQBABIPDEPS-UHFFFAOYSA-N
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| 24 |
rxn:4:208228:229285,COc1ncnc(-c2cccn2C)c1Cl,DPXKQSTYMASPMD-UHFFFAOYSA-N
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| 25 |
rxn:5:190768:228670:225624,COc1ccc(-c2ccc(-c3ccc(OC(=O)c4cccc(-c5ccc6oncc6c5)c4)c4ncccc34)s2)cc1,UPCVPRYHXZTXKQ-UHFFFAOYSA-N
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| 23 |
rxn:4:186379:225239,N#Cc1ccc(-c2ccc(-c3ccccc3F)nc2F)cc1OCc1ccccc1,NTOOQBABIPDEPS-UHFFFAOYSA-N
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| 24 |
rxn:4:208228:229285,COc1ncnc(-c2cccn2C)c1Cl,DPXKQSTYMASPMD-UHFFFAOYSA-N
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| 25 |
rxn:5:190768:228670:225624,COc1ccc(-c2ccc(-c3ccc(OC(=O)c4cccc(-c5ccc6oncc6c5)c4)c4ncccc34)s2)cc1,UPCVPRYHXZTXKQ-UHFFFAOYSA-N
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| 26 |
+
rxn:1:59004:5672,COc1cc(OC)cc(OC2(c3cn(CCCCc4ncc(N)cc4C)nn3)CCCC2)c1,APIKEHHBGSAWRL-UHFFFAOYSA-N
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