product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"5C74B1C1FF056373_05B05EF5AF3E8A4B_1031_UN" | "[N]2(CC1=CC=C(C=C1)Br)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "DC7FABB8767FA56C" |
"A614ED6D07C6542F_4332F349EEF42045_1031_UN" | "CC(O)C(C)(C)C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2" | 21 | "DCA946C6CDCDFCFE" |
"CC6BBDB51F5B87E2_00C4A4D2F5CC547E_6016_UN" | "C1(=CC2=C(N=C1)C=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "DCC0AB57B9389CF1" |
"013F2744F9F1FAB7_00E371EC614C7608_6016_UN" | "N[C@@H]1C2=C(CC1)C=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "DCE77E692DB8BE87" |
"E621FE979DE90CFE_01049329C4FA08E6_6016_UN" | "O[C@@H](CCl)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "DD009CAC880EC069" |
"3D9FC7F26A22134C_010C4664DB356FDB_6016_UN" | "CNCC1=C(C(=CC=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "DD0849E197C1A754" |
"205BA0F593DBA612_04E682ACB7557370_1031_UN" | "CC1=N[NH]C(=C1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C)C" | 21 | "DD2977E16E145C57" |
"972819CBA991F8DB_C884176A444BE276_6016_UN" | "OC(=O)C1=CC(=C(C(=C1)F)C(=O)C2=CC=CC=C2)[N](=O)=O" | 21 | "DD508ED4456FF25A" |
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