diff --git "a/data/28.csv" "b/data/28.csv" --- "a/data/28.csv" +++ "b/data/28.csv" @@ -1,64368 +1,42059 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""8FC57159B648DBC7_30B9DB39B3AE6E32_6008_UN""","""CCC1=CC(=CC=C1)C(=CC(OCC)OCC)C(F)(F)F""",21,"""21F5771D7B3C4809""" -"""0C7C506473CFA697_148F33A6A29B4B32_6008_UN""","""CCC1=CC(=CC=C1)C2=CC(=O)N(C2=O)C3=CC=CC=C3""",21,"""21F5771D7B3C4809""" -"""178F0FC3BC28A1EB_38BDBDFA6560A4DF_7022_UN""","""CCC1=CC(=CC=C1)NCCCN(C)CC2=CC=CC=C2""",21,"""21F5771D7B3C4809""" -"""280BC36667785564_C11407A74C6D003B_7022_UN""","""CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)C(=O)CCl""",21,"""21F5771D7B3C4809""" -"""0C5402D0CFE7E4B6_6963DF78F853BB98_7022_UN""","""CCC1=CC(=CC=C1)NCC(C(CC)CC)N2CCCC2""",21,"""21F5771D7B3C4809""" -"""A57BDC6490059CCA_FA60F54F9147287B_7022_UN""","""CCC1=CC(=CC=C1)N([S](C)(=O)=O)C2=CC(=CC=C2)C#N""",21,"""21F5771D7B3C4809""" -"""753B9F7162AB3225_784358BE1D7C313F_7022_UN""","""CCC1=CC(=CC=C1)OCCC2=C(C=CC=C2)C(F)(F)F""",21,"""21F5771D7B3C4809""" -"""FCE4B1E9FCEB22EA_B395D627EFF988C2_7022_UN""","""CCC1=CC(=CC=C1)OCCC2=CC(=CC=C2)C(F)(F)F""",21,"""21F5771D7B3C4809""" -"""2C8AFAE3C65E1989_A5CB50253FD7D408_7022_UN""","""CCC1=CC(=CC=C1)NC2=CC=C(C=C2)[S](=O)(=O)C(F)F""",21,"""21F5771D7B3C4809""" -"""F7342386D0777CE8_6C070A04D0D6FE49_7022_UN""","""CCC1=CC(=CC=C1)NCC2=CC=C(O2)C3=CC=CC=C3""",21,"""21F5771D7B3C4809""" -"""B3935B67F4F0BBD9_1E9B67A358B048B3_7022_UN""","""CCC1=CC(=CC=C1)NC(C2=CC=C(CC(C)C)C=C2)C""",21,"""21F5771D7B3C4809""" -"""02402319B192FE71_CF4174D980136B72_7022_UN""","""CCC1=CC(=CC=C1)NC2=CC=C(C=C2)OC3CCCC3""",21,"""21F5771D7B3C4809""" -"""C81F84D9882601FD_532B1295CB174332_7022_UN""","""CCC1=CC(=CC=C1)NC3=NC2=C(C=C(C(=C2F)F)F)S3""",21,"""21F5771D7B3C4809""" -"""A392C43E8BBB2AE1_704F2488383A9E50_7022_UN""","""CCC1=CC(=CC=C1)OC2=CC=C(OCCCCC)C=C2""",21,"""21F5771D7B3C4809""" 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