product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"58E1C8177B1AF110_BEB18F48936EAD32_6008_UN" | "C2(=C1OC(OC1=CC=C2)(F)F)C3=CC(=CNC3=O)C(O)=O" | 21 | "338D5130DEA8ADEC" |
"4BA776C3A11F49BE_8861EF2DA3F4F194_6008_UN" | "C2(=C1OC(OC1=CC=C2)(F)F)C3=CCN([S](Cl)(=O)=O)CC3" | 21 | "338D5130DEA8ADEC" |
"2ABA6F01979F75D0_B53376E447504F28_6008_UN" | "C2(=C1OC(OC1=CC=C2)(F)F)C3=CCC(C(C)(C)C)CC3" | 21 | "338D5130DEA8ADEC" |
"ABBAB6EFB0A00BDC_256944957A8691D5_6008_UN" | "CC(C)OCC1=CC(=CC=C1)C=CC2=CC=C([N](=O)=O)O2" | 21 | "49867A7E58B677A8" |
"2EB89D51263A2CE2_CB4D4C8CEF6C7FD9_6008_UN" | "CC(C)OCC1=CC(=CC=C1)C2=CC(=C(C)NC2=O)C#N" | 21 | "49867A7E58B677A8" |
"48EF946368F93E41_7AEDDC4BDF5E62AE_6008_UN" | "CC(C)OCC1=CC(=CC=C1)C=CC2=C(C=C(C)C=C2)C" | 21 | "49867A7E58B677A8" |
"5230FF78825B7249_C4BAA40615707776_6008_UN" | "CC(C)OCC1=CC(=CC=C1)C2=CC(=CNC2=O)C(O)=O" | 21 | "49867A7E58B677A8" |
"196AE0D6AFA339C7_F26AC46325EA2BD0_6008_UN" | "CC(C)OCC1=CC(=CC=C1)C2=CCN([S](Cl)(=O)=O)CC2" | 21 | "49867A7E58B677A8" |
"1E3653E5E5500937_CF385DAAC14E956C_6008_UN" | "CC(C)OCC1=CC(=CC=C1)C2=CCC(C(C)(C)C)CC2" | 21 | "49867A7E58B677A8" |
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