diff --git "a/data/36.csv" "b/data/36.csv" --- "a/data/36.csv" +++ "b/data/36.csv" @@ -1,65746 +1,42192 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""99DC9B39FE9DE0B0_D877AD63CE17BB25_6008_UN""","""COC1=CC(=C(C=C1)C)C=CC2=CC=CC(=C2)C(F)(F)F""",21,"""657926A61B5FB6DC""" -"""8CE3DAF77B5ABFCB_676DA4DD48326427_6008_UN""","""COC1=CC(=C(C=C1)C)C2=CC(N(CC(OC)=O)C=C2)=O""",21,"""657926A61B5FB6DC""" -"""454033360B081499_50C2B81DEB3B4619_6008_UN""","""COC1=CC(=C(C=C1)C)C3=CC=C2C(=O)OCCN2C3=O""",21,"""657926A61B5FB6DC""" -"""F3B02ABAFE3B7F0D_D901A88B113ECE49_7022_UN""","""COC1=CC(=C(C=C1)C)NC2=CC=N[N]2CC3=CC=CO3""",21,"""657926A61B5FB6DC""" -"""1F5E251F40B905A9_2BE2C46126474F9C_7022_UN""","""COC1=CC(=C(C=C1)C)NC2=C(C(OCC)=O)C(=NO2)C""",21,"""657926A61B5FB6DC""" -"""53C88A442BBF161A_A2C9402D209B8BB7_7022_UN""","""COC1=CC(=C(C=C1)C)OCC2=C(C3=C(S2)C=CC=C3)Cl""",21,"""657926A61B5FB6DC""" 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