diff --git "a/data/30.csv" "b/data/30.csv" --- "a/data/30.csv" +++ "b/data/30.csv" @@ -1,66802 +1,42039 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""90FE593E0AF879F0_07561342165355E5_6026_UN""","""[S](=O)(=O)(C1=C(C=CS1)Br)N(CC2=CC=C(F)C=C2)C3CC3""",21,"""20638104BB8E33B3""" -"""513AB227DCE969E7_8055851C242D941D_6026_UN""","""[S](=O)(=O)(C1=C(C=CS1)Br)N(CCN(C)C)C2CCCCC2""",21,"""20638104BB8E33B3""" -"""50600E5621DF091E_5BB170F932E7DBD2_6026_UN""","""[S](=O)(=O)(C1=C(C=CS1)Br)N3CCN(CC2=CC=CO2)CC3""",21,"""20638104BB8E33B3""" -"""5948A0E5D7213B85_C618F4B3979B5ED2_6026_UN""","""[S](=O)(=O)(C1=C(C=CS1)Br)NC2=CC=C(C=C2)[N]3C=CC=N3""",21,"""20638104BB8E33B3""" -"""D1BBEDAB551F0BBF_CEF8A9A3E90DED15_6026_UN""","""[S](=O)(=O)(C1=C(C=CS1)Br)NC2=CC=C(CC(OC)=O)C=C2""",21,"""20638104BB8E33B3""" -"""EF3A0D7F24203945_C625A1E60EBF4EB7_6026_UN""","""[S](=O)(=O)(C1=C(C=CS1)Br)NCC(N(CC)CC)CC(C)C""",21,"""20638104BB8E33B3""" 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