product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"FC09602FD641AB85_AE045AC5AFB382EE_6006_UN" | "CC1=NC3=C(C(=N1)C2=C[NH]N=C2)C=N[N]3C4=CC=CC=C4" | 21 | "C3AA359CB077A98B" |
"D5DFA2F36275D3FA_A33E6135C11075A3_6006_UN" | "CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=CSC=C2" | 21 | "C4B3307329226C67" |
"0B173EE1354872C1_3A65C5619C6EC30A_6006_UN" | "CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=CON=C2" | 21 | "C4B3307329226C67" |
"ECB2AC942359FD09_A91D5F2A36E64702_6006_UN" | "CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=C[NH]N=C2" | 21 | "C4B3307329226C67" |
"BAE4BAF7BAF618AB_78C43DCF9B7A064C_6008_UN" | "CC(=O)C1=CC=C(C=C1)C=CC2=CC=CC(=C2)C(F)(F)F" | 21 | "C5CAB60A4E320BB5" |
"5949CA8F77808C5A_C7DE34711D5FD94E_6008_UN" | "CC(=O)C1=CC=C(C=C1)C2=CC(N(CC(OC)=O)C=C2)=O" | 21 | "C5CAB60A4E320BB5" |
"2DA823A6E221806B_F07128B1BE56FB70_6008_UN" | "CC(=O)C1=CC=C(C=C1)C3=CC=C2C(=O)OCCN2C3=O" | 21 | "C5CAB60A4E320BB5" |
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