product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"C13DD13CE24185BD_34C349B67C42483A_1031_UN" | "[N]1(CC(F)(F)C(F)(F)Br)C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "ED0CBCFBA503671D" |
"B89DCA6B796DCAE8_34C2082B64406C19_1031_UN" | "[N]2(CCC1=NNC(=S)O1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "ED0DFD66BD01433E" |
"2E2796857B85DB63_F891450AABDED972_6016_UN" | "C1(=C(C=CC=C1)C2NC(=O)CC2=O)C(=O)C3=CC=CC=C3" | 21 | "ED45DCB4AAFAC95E" |
"04D9ADFB5C421601_F88137523953DA5D_6016_UN" | "C1(=CN=C(C=C1)C(=O)NC2COC2)C(=O)C3=CC=CC=C3" | 21 | "ED55AEEC3877CA71" |
"AE85BEB90617980C_316BB78596799156_6016_UN" | "NCCSCC1=CC=C(S1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "ED6FB800DA8D59D9" |
"27CBD47DD9082BF3_318FAD58F695C04D_6016_UN" | "NCC(F)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "ED8BA2DDBA6108C2" |
"352F423397B4FF7D_7216C36D30923633_1031_UN" | "[N]2(C[C@@H]1[C@H](CCC1)O)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "ED8D76E213ABEA88" |
"3374F41D16E95C87_344185CD81431963_1031_UN" | "CN(C)C2(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CCC2" | 21 | "ED8E708058023644" |
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