product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"1F726A2E049552A4_36DDE9725D1172BA_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC[S](=O)(=O)O" | 21 | "28093096634A9A09" |
"81060DD3E51BE6C0_CDEF4425034CEDD9_6031_DP" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC(C(O)=O)N" | 21 | "28093096634A9A09" |
"16985CDF26F82A47_19E0FBBFE38A0AE9_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC3C4CCC34" | 21 | "28093096634A9A09" |
"85E1D14F99E6CD21_4B4469173603B381_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC3=NN=CO3" | 21 | "28093096634A9A09" |
"66930DEFF2B1CFF2_E87A0B64B01932BB_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OC[C@@H]3C[C@H]3C#N" | 21 | "28093096634A9A09" |
"BAA4F61722C9357C_4648B374E633CCED_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC3C=CCN3" | 21 | "28093096634A9A09" |
"28128CC3DA028973_E82798EAAD68A975_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC3CC(C)N3" | 21 | "28093096634A9A09" |
"46BF3B00933B1DE2_C4BD76503CBE3E52_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC3CC(Br)C3" | 21 | "28093096634A9A09" |
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