product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"1B186BADB4579780_6D73242CFD1F7443_6003_UN" | "C[C@@H](OC1=CC=CC=C1[N+]#[C-])CC2=CC3=C(C=C2)OCO3" | 21 | "9E83B2045FD66A6E" |
"10722720670C5AEA_6A24D15E9C5249E1_6003_UN" | "C[C@@H](OC1=CC=CC=C1C#N)CC2=CC3=C(C=C2)OCO3" | 21 | "9E83B2045FD66A6E" |
"5D1FC11E1F72F17E_82A4733A02AC609D_6003_UN" | "C[C@@H](OC1=CC=C(C=C1)[N+]#[C-])CC2=CC3=C(C=C2)OCO3" | 21 | "9E83B2045FD66A6E" |
"81209975E33D118A_0C9FF6D8BD81B7E3_6003_UN" | "C[C@@H](OC1=CC=CC(=C1)[N+]#[C-])CC2=CC3=C(C=C2)OCO3" | 21 | "9E83B2045FD66A6E" |
"C8ACCF2BF9D29320_D0347B8F937AF936_6006_UN" | "CCOC(=O)C(C)(C#N)C1=C(C=CC=N1)C2=CC=N[N]2C" | 21 | "9EEACF0D654EEAC0" |
"E41646F254FF9648_2223C5932577452F_6006_UN" | "CCOC(=O)C(C)(C#N)C1=C(C=CC=N1)C2=C[N](C)N=C2" | 21 | "9EEACF0D654EEAC0" |
"3318C10EECA90249_E4F5FFD7039A6360_6006_UN" | "CCOC(=O)C(C)(C#N)C1=C(C=CC=N1)C2=CN=CN=C2" | 21 | "9EEACF0D654EEAC0" |
"D3FB1B1D658AFBAD_9B265BE608970CA5_6006_UN" | "CCOC(=O)C(C)(C#N)C1=C(C=CC=N1)C2=CC=CC=C2" | 21 | "9EEACF0D654EEAC0" |
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