product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"86461FE336710F16_314D2DEA7B3272FB_6031_UN" | "O(C(=O)C1=CN=C(S1)C2=CC=CO2)C3=COC(=CC3=O)C" | 21 | "4D30C67EF8B2DDBA" |
"896EBF9EC477833F_0F8ACC79262BF4CB_6031_UN" | "O(C(=O)C1=CN=C(S1)C2=CC=CO2)CC[N]3C=CN=C3C" | 21 | "4D30C67EF8B2DDBA" |
"AA71F8F2AC474139_C0C4A4A4D484902C_6031_UN" | "O(C(=O)C1=CN=C(S1)C2=CC=CO2)CC3NCC(C3)(F)F" | 21 | "4D30C67EF8B2DDBA" |
"4049F58FABDC9881_DE9DB50927F73200_6031_UN" | "O(C(=O)C1=CN=C(S1)C2=CC=CO2)CC3=NC(=NC=C3)Cl" | 21 | "4D30C67EF8B2DDBA" |
"54B5FF12E0D0BC72_CEB58153A9CF8B30_6031_UN" | "O(C(=O)C1=CN=C(S1)C2=CC=CO2)CC3CCCCNC3" | 21 | "4D30C67EF8B2DDBA" |
"F630A0BDF5B1E328_4B371F2E1CF88C82_6031_DP" | "O(C(=O)C1=CN=C(S1)C2=CC=CO2)C[C@H]3CC[C@H](N)CC3" | 21 | "4D30C67EF8B2DDBA" |
"554EC863DAB9D03B_B51F7E3E8CBAFF77_6031_UN" | "O(C(=O)C1=CN=C(S1)C2=CC=CO2)CCC3CCCC3N" | 21 | "4D30C67EF8B2DDBA" |
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