product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"8CA6EBB301A92563_7C6B2A9A6A1A0D6B_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=CC(=C(N=C1)C)C" | 21 | "B8E727524D67CD59" |
"7C0BF025F08729FA_F89F239F1EE478CA_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OCC1=N[N](C)C(=C1Br)Cl" | 21 | "B8E727524D67CD59" |
"DE9DE19798C46B55_DE2E90280B2EFA26_6031_UN" | "COC(=O)NC(C(C)C)C(=O)OC[C]1(N)C[C]2(C1)C[CH2]C2" | 21 | "B8E727524D67CD59" |
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