product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"8A00F63B112FCCCB_2F82AF018EA2C1A8_6006_UN" | "CCOC(=O)C1=NC(=CC(=N1)C2=CC=N[N]2C)C(C)(C)C" | 21 | "615C1B837896D25E" |
"1B2795195B7621B0_DD95111D38AF7DB1_6006_UN" | "CCOC(=O)C1=NC(=CC(=N1)C2=C[N](C)N=C2)C(C)(C)C" | 21 | "615C1B837896D25E" |
"CFF6D9CBAA5040D6_1B432B591E425BFE_6006_UN" | "CCOC(=O)C1=NC(=CC(=N1)C2=CN=CN=C2)C(C)(C)C" | 21 | "615C1B837896D25E" |
"5729E11C81030A55_64908F68154F343B_6006_UN" | "CCOC(=O)C1=NC(=CC(=N1)C2=CC=CC=C2)C(C)(C)C" | 21 | "615C1B837896D25E" |
"C915AAB67CA9B3CB_2ABD8C5D1133634F_6006_UN" | "CCOC(=O)C1=NC(=CC(=N1)C2=CC=NC=C2)C(C)(C)C" | 21 | "615C1B837896D25E" |
"3D31DC58F6B0A71E_AEF06999AD7D4A14_6003_UN" | "O(C1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C#N" | 21 | "622005B94E2CE918" |
"27861F90DA16E5A4_91D09391ECE5F735_6003_UN" | "O(C1=CC=C(C=C1)C2CCCCC2)C3=CC=CC=C3[N+]#[C-]" | 21 | "622005B94E2CE918" |
"C758C5DF6DFB3D83_968766E38DA8CA97_6003_UN" | "O(C1=CC=C(C=C1)C2CCCCC2)C3=CC=CC=C3C#N" | 21 | "622005B94E2CE918" |
"00AF1DF796353737_7E07C4871356E3EB_6003_UN" | "O(C1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)[N+]#[C-]" | 21 | "622005B94E2CE918" |
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