product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"71BD3864E89364DD_E76E4D80C90F630F_6003_UN" | "O(C1=CC(=CC(=C1)Cl)OC(F)(F)F)C2=CC=CC=C2C#N" | 21 | "13C92EDA0A8B4080" |
"608683628EFD0C6F_0FEEEFE457F14A73_6003_UN" | "O(C1=CC(=CC(=C1)Cl)OC(F)(F)F)C2=CC=C(C=C2)[N+]#[C-]" | 21 | "13C92EDA0A8B4080" |
"A71D2CF4626254CA_81D56A06E8DC9D0D_6003_UN" | "O(C1=CC(=CC(=C1)Cl)OC(F)(F)F)C2=CC=CC(=C2)[N+]#[C-]" | 21 | "13C92EDA0A8B4080" |
"31142E6FD772524B_D8D1E7C4A509B156_6003_UN" | "C[C@H](OC1=CC=C(C=C1)C#N)C34CC2CC(CC(C2)C3)C4" | 21 | "14018BE44658125A" |
"1832EA467F289995_E7F11DCCE4910C77_6003_UN" | "C[C@H](OC1=CC=CC=C1[N+]#[C-])C34CC2CC(CC(C2)C3)C4" | 21 | "14018BE44658125A" |
"044D9688EC27D6AA_E0A6E8BE85DC31D5_6003_UN" | "C[C@H](OC1=CC=CC=C1C#N)C34CC2CC(CC(C2)C3)C4" | 21 | "14018BE44658125A" |
"8CED7544B7C8E823_08264ADA1B2218A9_6003_UN" | "C[C@H](OC1=CC=C(C=C1)[N+]#[C-])C34CC2CC(CC(C2)C3)C4" | 21 | "14018BE44658125A" |
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