product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
"23732DFAF6960120_36D79781598F3E23_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1(CN)CCCCC1)C2=O" | 21 | "E5DED913349C8B61" |
"500BA125D0A1B3DD_4B5703D4FFE7D664_6031_UN" | "CN3C(=O)NC=C(C(=O)OCC1=NC(=CS1)C2CC2)C3=O" | 21 | "E5DED913349C8B61" |
"D37A7FE3DF954160_B52F17753BF8A919_6031_DP" | "CN2C(=O)NC=C(C(=O)OCC1CNCC(C1)(C)C)C2=O" | 21 | "E5DED913349C8B61" |
"816FAB012693A054_CBA2C1E30154C238_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1=C(N)C=CC=C1Br)C2=O" | 21 | "E5DED913349C8B61" |
"EB45F93FA8A6E252_08931274F26622F9_6031_UN" | "CN3C(=O)NC=C(C(=O)OCC1CC2C(C1)C2(F)F)C3=O" | 21 | "E5DED913349C8B61" |
"2275303D1E3AF3BA_5CCA8180FA189579_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1CCC(NC)CC1)C2=O" | 21 | "E5DED913349C8B61" |
"C76821F2D174C3C9_413B3183C0490160_6031_DP" | "CN2C(=O)NC=C(C(=O)OCCC1=C(N)C=CN=C1)C2=O" | 21 | "E5DED913349C8B61" |
"1224DEF086BF9245_1864E909BC0B36BB_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1(CCOCC1)C=C)C2=O" | 21 | "E5DED913349C8B61" |
"98445590DAF2B855_37D9B400F93D5784_6031_UN" | "CN2C(=O)NC=C(C(=O)OCCC1=CC=C(N)C=C1)C2=O" | 21 | "E5DED913349C8B61" |
"F7BE8121CD3DC0BE_EE6DF626A197993D_6031_UN" | "CN3C(=O)NC=C(C(=O)OCC2CNC1(CCC1)C2)C3=O" | 21 | "E5DED913349C8B61" |
"D95D1E5AD27877FF_CDD4E14240D114AF_6031_UN" | "CN2C(=O)NC=C(C(=O)OCCN1CCC(CC1)=O)C2=O" | 21 | "E5DED913349C8B61" |
"AD043EBBC10A4DD1_678FF02B15A378C5_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1(OC)CCNCC1)C2=O" | 21 | "E5DED913349C8B61" |
"CC77177E2E8A5FE6_6141C7C5D8372D23_6031_UN" | "CN1C(=O)NC=C(C(=O)OCCC(F)(F)C(F)(F)F)C1=O" | 21 | "E5DED913349C8B61" |
"98E46F1962088A6F_423BB13469DDF58E_6031_UN" | "CN3C(=O)NC=C(C(=O)OCC1=NN=C(S1)C2CC2)C3=O" | 21 | "E5DED913349C8B61" |
"ABBD8B1AD17214F9_1E5CC241A6C3B556_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1=C(C)C(=CC=C1)Cl)C2=O" | 21 | "E5DED913349C8B61" |
"4442CA58637A7071_4434A7638AA91CF0_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1=NC(=CC(=C1)Cl)Cl)C2=O" | 21 | "E5DED913349C8B61" |
"A0F2E518F92AF6D0_B51840D6115F3A84_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1=CSC(=N1)COC)C2=O" | 21 | "E5DED913349C8B61" |
"33243097F45F67EF_E14745E942B7DF14_6031_UN" | "CN1C(=O)NC=C(C(=O)OCC(CCCC)CC#C)C1=O" | 21 | "E5DED913349C8B61" |
"860E1EA5A82FA073_88B3E58E8D3D63F5_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC(C(N)C1CC1)(F)F)C2=O" | 21 | "E5DED913349C8B61" |
"5F5B6F707AB2FB10_9EBB1F8D3E58FB01_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1CCC(CI)OC1)C2=O" | 21 | "E5DED913349C8B61" |
"E63376EA54515A12_BA2C6F729F158599_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1(N)C[S](CC1)(=O)=O)C2=O" | 21 | "E5DED913349C8B61" |
"FC04F92BC1802221_2B7C2A5108729B0F_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1=C(OC=N1)C(F)F)C2=O" | 21 | "E5DED913349C8B61" |
"3F35F5B734BB44E5_E62C9B72BD8BE329_6031_UN" | "CN3C(=O)NC=C(C(=O)OCC1C2CNC1CCC2)C3=O" | 21 | "E5DED913349C8B61" |
"B65881467A3BF86D_92ABC974C47E083A_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1CCN(CCN)C1)C2=O" | 21 | "E5DED913349C8B61" |
"5682BEEE11B70C6A_A3B88FE98DCC602B_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC(=C1CNCCC1)F)C2=O" | 21 | "E5DED913349C8B61" |
"D07A7C214DBD6C40_B5FF6FFA3CC9BDA9_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1=C(N=CC(=C1)Cl)Cl)C2=O" | 21 | "E5DED913349C8B61" |
"D301886EDFB01F0D_0989021A7A38671F_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC(C)(C)CNC1CC1)C2=O" | 21 | "E5DED913349C8B61" |
"5CA646025951843E_0195EAE6764F4D4D_6031_UN" | "CN2C(=O)NC=C(C(=O)OC[C@H]1O[C@H](OC)CNC1)C2=O" | 21 | "E5DED913349C8B61" |
"714518B253C77026_8AC216DE5253EAEE_6031_UN" | "CN2C(=O)NC=C(C(=O)OC[C@H]1CC[C@@H](N(C)C)C1)C2=O" | 21 | "E5DED913349C8B61" |
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