Added 1 molecules from epoch 18750 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -58,3 +58,4 @@ rxn:3:62762:23171:99714,CS[C@@H]1CCCC[C@H]1NC(=O)C(c1cc(C)cc(C)c1)N1CC(Cn2cc(C3C
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| 58 |
rxn:2:161294:171222,CCc1c(CNC(C)c2ccc(-c3ccnc(OC(C)(C)C)c3)cc2C)cnn1-c1ccnc(C)c1C,KXXQUFANBQNPGA-UHFFFAOYSA-N
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| 59 |
rxn:1:53837:32239,Cc1nc2c(F)c(-c3cn(CCC4C(c5cc(Br)ncc5F)C4(F)F)nn3)ccc2n1C,UGGWTBDVFWGCBR-UHFFFAOYSA-N
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| 60 |
rxn:1:48226:7704,COc1cncc(-c2cn(CC(O)C(O)c3ccc(Br)cc3OC)nn2)n1,OQXIZSDSHDHSKO-UHFFFAOYSA-N
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| 58 |
rxn:2:161294:171222,CCc1c(CNC(C)c2ccc(-c3ccnc(OC(C)(C)C)c3)cc2C)cnn1-c1ccnc(C)c1C,KXXQUFANBQNPGA-UHFFFAOYSA-N
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| 59 |
rxn:1:53837:32239,Cc1nc2c(F)c(-c3cn(CCC4C(c5cc(Br)ncc5F)C4(F)F)nn3)ccc2n1C,UGGWTBDVFWGCBR-UHFFFAOYSA-N
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| 60 |
rxn:1:48226:7704,COc1cncc(-c2cn(CC(O)C(O)c3ccc(Br)cc3OC)nn2)n1,OQXIZSDSHDHSKO-UHFFFAOYSA-N
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| 61 |
+
rxn:1:55786:33650,CN(Cc1cn(CC2CC2c2cc(F)ccc2CN)nn1)S(=O)(=O)c1ccccc1Cl,ZINXPZWLSYXFPG-UHFFFAOYSA-N
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