product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"80CF41E68D19369F_F499AD4AC9D17DFD_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCCCC#C[Si](C)(C)C" | 21 | "4C1D8C9B80BA8914" |
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"911DA5238F892226_19503D9D739C5791_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC2C3CCC(C2)CN3" | 21 | "4C1D8C9B80BA8914" |
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"E9E03C270E03961A_9923B849AAA2BC7F_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC23CCC(CC2)CC3" | 21 | "4C1D8C9B80BA8914" |
"15BBFAB3E7EF4F40_5F299A273BF83A2C_6031_DP" | "CC[N]1N=C(C)C(=C1C)C(=O)OCCC2(N)CCSCC2" | 21 | "4C1D8C9B80BA8914" |
"F07F419DC2FA3065_87234F57FCA88716_6031_DP" | "CC[N]1N=C(C)C(=C1C)C(=O)OCCNC2=CC=CC=C2" | 21 | "4C1D8C9B80BA8914" |
"59679D7F1F108657_98FC7F97B7589ECD_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OC[C@]23CCC[C@H]2NCC3" | 21 | "4C1D8C9B80BA8914" |
"B8E627F0DF85FD1B_B966872A3418A283_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OC[C@@H]2C[C@H](CN)CCC2" | 21 | "4C1D8C9B80BA8914" |
"A0E39DD699BB9311_A3D3D775406681B1_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC(ON)C2CCCC2" | 21 | "4C1D8C9B80BA8914" |
"7D4BFE453A1DA81A_1B373D1B19A662DA_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC2N(C)C(CCC2)=O" | 21 | "4C1D8C9B80BA8914" |
"CABFABA70A0B7C74_0C3FDBB3B02E2707_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCCCCCC(F)(F)F" | 21 | "4C1D8C9B80BA8914" |
"C2294BD0AD592567_457A6D9C6ACC143B_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC(N)CC2OCCO2" | 21 | "4C1D8C9B80BA8914" |
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