product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"35D03402059AC426_25396F10C773B029_1031_UN" | "COCC(=O)NCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "FCF69A5D1E329F0E" |
"2879C05DDBA8BA41_24D90170DC893D22_1031_UN" | "[N]2(C1=NC(=NC(=C1)Cl)Cl)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "FD16F43D05C81205" |
"FD18C9101F7F1BF6_24EBA166CC7015FE_1031_UN" | "[N]2(CC1C(CCCC1)Cl)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "FD24542B15313AD9" |
"C6932A7405566003_E8F96B2F532EB89E_6016_UN" | "CNC1=NN=C([NH]1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3" | 21 | "FD2DF291520AA8B2" |
"184163C7CDE293C8_24F5DCD4257DADA5_1031_UN" | "CC(C)COCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "FD3A2999FC3C8282" |
"1EA17A9AAE8C164F_2492EF3B042E864E_1031_UN" | "[N]2(C1=NC=C(S1)[N](=O)=O)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "FD5D1A76DD6FA969" |
"6C1233AE553D310A_244A3F820C00431C_1031_UN" | "CN2CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2=O" | 21 | "FD85CACFD5416C3B" |
"765D3D0819E9AC95_6201E9C6DE5E0B9E_1031_DP" | "N3CCC(C)(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3" | 21 | "FD9A5C49FD67D725" |
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