Added 1 molecules from epoch 18932 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -175,3 +175,4 @@ rxn:1:45192:11032,Cc1ccc(S(=O)(=O)N(Cc2cn(CCC#Cc3cn(C)cn3)nn2)C2CC2)cc1C,WZFWEJD
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| 175 |
rxn:2:66108:68098,COc1cccc([C@H](C)NC2CCC(CN(C)C3CCN(C)C3)CC2)c1,ZJWZNEVUAZLALP-KNTICRLASA-N
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| 176 |
rxn:2:108310:122335,COc1cc(C)c(C(C)N[C@H](CC2CC2)c2c(C)c(C)c(C)c(C)c2C)cc1OC,WPCPDJMNEZIYRI-MQNHUJCZSA-N
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| 177 |
rxn:2:105748:82715,CC(C)CC(C)N1CCC(NC2CCCCCCCCCCCCCCCC2)C1,USIMZXPAMPVUDY-UHFFFAOYSA-N
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| 175 |
rxn:2:66108:68098,COc1cccc([C@H](C)NC2CCC(CN(C)C3CCN(C)C3)CC2)c1,ZJWZNEVUAZLALP-KNTICRLASA-N
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| 176 |
rxn:2:108310:122335,COc1cc(C)c(C(C)N[C@H](CC2CC2)c2c(C)c(C)c(C)c(C)c2C)cc1OC,WPCPDJMNEZIYRI-MQNHUJCZSA-N
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| 177 |
rxn:2:105748:82715,CC(C)CC(C)N1CCC(NC2CCCCCCCCCCCCCCCC2)C1,USIMZXPAMPVUDY-UHFFFAOYSA-N
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| 178 |
+
rxn:1:43593:37494,N#Cc1cnn(-c2ccc(C#CCn3cc(CN[C@@H]4CCc5ccccc54)nn3)cc2)c1N,ZZKNNDDENFTPQT-XMMPIXPASA-N
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