Added 1 molecules from epoch 18816 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -118,3 +118,4 @@ rxn:1:56638:35330,CC(NC(=O)c1cn2ccsc2n1)c1cn(CC2CC2c2cccc(C3OCCO3)c2)nn1,NPKFTJJ
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| 118 |
rxn:4:175880:226307,COCc1cc(C)cc(-c2cccc(C(=O)CCc3ccccc3C)c2)c1OC,XDHZLKLVPDEAIF-UHFFFAOYSA-N
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| 119 |
rxn:2:124121:72704,Cn1cc(N2CCCC(NC3CCCOC3(C)C)C2)cn1,DWVVBMIQRZQONH-UHFFFAOYSA-N
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| 120 |
rxn:5:199106:227952:228107,CCC(C)c1ncncc1-c1ccnc2ccc(-c3cc(C)c(C#N)cc3C)c(C)c12,KGYZTUCMQHINQL-UHFFFAOYSA-N
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| 118 |
rxn:4:175880:226307,COCc1cc(C)cc(-c2cccc(C(=O)CCc3ccccc3C)c2)c1OC,XDHZLKLVPDEAIF-UHFFFAOYSA-N
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| 119 |
rxn:2:124121:72704,Cn1cc(N2CCCC(NC3CCCOC3(C)C)C2)cn1,DWVVBMIQRZQONH-UHFFFAOYSA-N
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| 120 |
rxn:5:199106:227952:228107,CCC(C)c1ncncc1-c1ccnc2ccc(-c3cc(C)c(C#N)cc3C)c(C)c12,KGYZTUCMQHINQL-UHFFFAOYSA-N
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| 121 |
+
rxn:3:41473:18274:132613,Cc1ccc(-n2cc(C3CC3)c(-c3cn(CC=Cc4ccc(-c5ccc(C(=O)NCc6csc7c6CCOC7)o5)cc4)nn3)n2)cc1,CRLTZZZEWMIWFZ-UHFFFAOYSA-N
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