product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"74679EE49F36E137_646B2D6CC48B8E73_6016_UN" | "NC1=C(N=CC(=C1)C(=O)C2=CC=CC=C2)OCC(F)(F)F" | 21 | "71BFB4D2C5AF9E5F" |
"CF3A9F029EF153B6_EE5B5A97550934E6_1031_UN" | "CCONC(=O)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2" | 21 | "71C0EF187630E85D" |
"9C00BF8C2F872F80_4AE9AE085CC832FA_2218_UN" | "CC1(C)OB(OC1(C)C)C2=C(C=CC(=C2)F)C3=N[NH]N=N3" | 21 | "71C2042FB3F3F3DE" |
"BABDF9F8B396080B_641650C8B7C853B9_6016_UN" | "CCOC1=C(C(=CC(=C1)C#N)C(=O)C2=CC=CC=C2)OC" | 21 | "71C2C976B6EC4395" |
"4698541B646AA2FC_D75191938CC2DA54_7019_UN" | "FC1=CC=C(C=C1)[S](=O)(=O)N2CCN(CC2)C(=O)C=CC" | 21 | "71D71DEA7631DE3B" |
"7BB1D3F73828DE2D_A82B8001A99C4FBC_1031_UN" | "CSC1=CN=C(C=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "71E4754C70DD609B" |
"10FF34A2E7F287DA_A822F3788D3CD623_1031_UN" | "[N]1(CCCCCCC=C)C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "71ED0635547DF904" |
"CAA2363709052886_642DE064FADDC307_6016_UN" | "C2(=C[N]1C3=C(N=C1N=C2)C=CC=C3)C(=O)C4=CC=CC=C4" | 21 | "71F979DAFBF9D32B" |
"4B1ECFE7A0424A5F_ABCDE96FC8986DCD_1031_UN" | "[N]2(CCCN1CCCC1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "72021C2211D942EA" |
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