Added 1 molecules from epoch 18644 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -2,3 +2,4 @@ Molecule_ID,SMILES,InChI_Key
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| 2 |
rxn:4:177876:225468,COc1cccc(C(=O)c2ccccc2-c2ccc(-c3ccccc3C)nc2)c1,DAYOIJFVNPKMJY-UHFFFAOYSA-N
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| 3 |
rxn:2:145515:130413,CCCC(NCC(C)CN(C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)s1,BSEIOPVNNFIZIX-UHFFFAOYSA-N
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| 4 |
rxn:2:132195:172181,COc1cc(C)cc(-c2cccc(C(C)NC(C)Cc3cccc(OC4CCCCC4)c3)c2C)c1,YDPANEFCYMHICR-UHFFFAOYSA-N
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| 2 |
rxn:4:177876:225468,COc1cccc(C(=O)c2ccccc2-c2ccc(-c3ccccc3C)nc2)c1,DAYOIJFVNPKMJY-UHFFFAOYSA-N
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| 3 |
rxn:2:145515:130413,CCCC(NCC(C)CN(C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)s1,BSEIOPVNNFIZIX-UHFFFAOYSA-N
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| 4 |
rxn:2:132195:172181,COc1cc(C)cc(-c2cccc(C(C)NC(C)Cc3cccc(OC4CCCCC4)c3)c2C)c1,YDPANEFCYMHICR-UHFFFAOYSA-N
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| 5 |
+
rxn:4:177079:224885,CC1CCN(Cc2ccccc2-c2ccc(C(F)(F)F)c(OC3CC3)c2)CC1,SXXRVKWRXLRMED-UHFFFAOYSA-N
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