Added 1 molecules from epoch 18839 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -138,3 +138,4 @@ rxn:1:51571:8224,O=C(c1cn(CCC2CC2c2cscn2)nn1)N1CCCC(c2cc(CCO)ncn2)C1,ZNZJPIFOUJV
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| 138 |
rxn:4:206901:225756,COC(=O)c1cc(-c2ccc(CN3CCCN(C)CC3)o2)c(C(C)C)cn1,IDOIJRVEZMVNRZ-UHFFFAOYSA-N
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| 139 |
rxn:5:181906:223270:228419,CSc1cc(F)c(-c2c(C)ccc(-c3ccc(F)cc3NC(C)=O)c2C2OCCO2)cc1F,PYPLPOUZBDDGNA-UHFFFAOYSA-N
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| 140 |
rxn:2:160686:131085,CC(C)COCCC(C)Nc1ccnn2c(-c3ccccc3)nnc12,VXLCASPNQMVFAO-UHFFFAOYSA-N
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| 138 |
rxn:4:206901:225756,COC(=O)c1cc(-c2ccc(CN3CCCN(C)CC3)o2)c(C(C)C)cn1,IDOIJRVEZMVNRZ-UHFFFAOYSA-N
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| 139 |
rxn:5:181906:223270:228419,CSc1cc(F)c(-c2c(C)ccc(-c3ccc(F)cc3NC(C)=O)c2C2OCCO2)cc1F,PYPLPOUZBDDGNA-UHFFFAOYSA-N
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| 140 |
rxn:2:160686:131085,CC(C)COCCC(C)Nc1ccnn2c(-c3ccccc3)nnc12,VXLCASPNQMVFAO-UHFFFAOYSA-N
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| 141 |
+
rxn:2:138507:75485,Cc1ccc2ccccc2c1NC1CCCC1Cc1ccc2c(c1)OCO2,OWIZBMFSVDBAOC-UHFFFAOYSA-N
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