Added 1 molecules from epoch 18903 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -161,3 +161,4 @@ rxn:1:49300:4954,N#CCC(O)C(O)c1ccccc1-n1cc(Cn2nc(C#N)cc2-c2ccc(Cl)cc2)nn1,PQEGMC
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| 161 |
rxn:2:113450:94003,COc1ccc(OC)c2c1CCCCC2NCc1ncc(-c2cccc(N(C)C)c2)[nH]1,XJDZHDNELJWMAN-UHFFFAOYSA-N
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| 162 |
rxn:3:44923:6362:105513,Cc1ccc2c(c1C)C(CNC(=O)c1cc(F)c(C#CCCn3cc(-c4cc(C5CCC5)ncn4)nn3)c(F)c1)CCCS2,YFKTYBAJPHVNGP-UHFFFAOYSA-N
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| 163 |
rxn:2:118299:170388,Cc1cc(-c2ccc(C(Nc3cc(C4CC4)n(CC(C)C)n3)c3ccccn3)cc2)c(C)s1,XRWBIQQENVWZKY-UHFFFAOYSA-N
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| 161 |
rxn:2:113450:94003,COc1ccc(OC)c2c1CCCCC2NCc1ncc(-c2cccc(N(C)C)c2)[nH]1,XJDZHDNELJWMAN-UHFFFAOYSA-N
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| 162 |
rxn:3:44923:6362:105513,Cc1ccc2c(c1C)C(CNC(=O)c1cc(F)c(C#CCCn3cc(-c4cc(C5CCC5)ncn4)nn3)c(F)c1)CCCS2,YFKTYBAJPHVNGP-UHFFFAOYSA-N
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| 163 |
rxn:2:118299:170388,Cc1cc(-c2ccc(C(Nc3cc(C4CC4)n(CC(C)C)n3)c3ccccn3)cc2)c(C)s1,XRWBIQQENVWZKY-UHFFFAOYSA-N
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| 164 |
+
rxn:2:125231:164309,CN(C)CCC(Nc1ccc2c(c1)CN(C)CC2)c1cccc2ccccc12,NJDRWCDRXNJEHK-UHFFFAOYSA-N
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