diff --git "a/data/20.csv" "b/data/20.csv" --- "a/data/20.csv" +++ "b/data/20.csv" @@ -1,64781 +1,42057 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""2C2C7D592417ED85_079A2E09688FFF9E_6039_UN""","""O(CC1CCC(=O)O1)CC(=O)NCCCN2CCCC2=O""",21,"""FADFA26DD357CEF6""" -"""6F3A354DDB55C825_C8F67B7894559C2F_6039_UN""","""O(CC1CCC(=O)O1)CC(=O)NCCOC2=CC=CC=C2""",21,"""FADFA26DD357CEF6""" -"""93E0624CC7106BFA_C9009524E10A543A_6039_UN""","""O(CC1CCC(=O)O1)CCCC(OC2=CC=C(F)C=C2)=O""",21,"""FADFA26DD357CEF6""" -"""652C53E18075529D_618024827C27F2BF_6039_UN""","""O(CC1CCC(=O)O1)CC2=NOC(=N2)C3=CC=C(C)C=C3""",21,"""FADFA26DD357CEF6""" -"""8028E263BDA42B2D_5E4A9672CC38C454_6039_UN""","""O(CC1CCC(=O)O1)CCC(NC2=C(SC)C=CC=C2)=O""",21,"""FADFA26DD357CEF6""" -"""DBDC7A9F635DB2FC_344D6A6E87C6397C_6039_UN""","""O(CC1CCC(=O)O1)CC2=C(C(OCC)=O)CNC(N2)=O""",21,"""FADFA26DD357CEF6""" -"""E53A860B87361E19_AF720282DF3C3D80_6039_UN""","""O(CC1CCC(=O)O1)CC(=O)NC3=C2N=[S]=NC2=CC=C3""",21,"""FADFA26DD357CEF6""" 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