product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"6E55737949D78F48_7A0C3FBF06AD5801_6006_UN" | "CC(OC1=C(C=C(C=C1)C2=C[N](C)N=C2)C(=O)C)C(=O)O" | 21 | "C6C535214694F7EE" |
"185B47BF828998B8_BCDA05FB20407E4E_6006_UN" | "CC(OC1=C(C=C(C=C1)C2=CN=CN=C2)C(=O)C)C(=O)O" | 21 | "C6C535214694F7EE" |
"BC0869A357A4BEB7_C309A1CA2B4D118B_6006_UN" | "CC(OC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)C)C(=O)O" | 21 | "C6C535214694F7EE" |
"866B997C348418C6_8D24A2FF2F3146FF_6006_UN" | "CC(OC1=C(C=C(C=C1)C2=CC=NC=C2)C(=O)C)C(=O)O" | 21 | "C6C535214694F7EE" |
"B063636C5021909E_89956B558C53F5A1_6006_UN" | "C2(=CC1=NC(=N[N]1C=N2)C3=CC=CC=C3)C4=CC=N[N]4C" | 21 | "C74BDFD77A67E657" |
"D63E8FA03B4F7454_7B82D5493A5E49B8_6006_UN" | "C2(=CC1=NC(=N[N]1C=N2)C3=CC=CC=C3)C4=C[N](C)N=C4" | 21 | "C74BDFD77A67E657" |
"7E5EAD7C77B9ED1F_BD54EF0D1CB36FF7_6006_UN" | "C2(=CC1=NC(=N[N]1C=N2)C3=CC=CC=C3)C4=CN=CN=C4" | 21 | "C74BDFD77A67E657" |
"5B33C621B83F0BF3_C2874B3C17BE0032_6006_UN" | "C2(=CC1=NC(=N[N]1C=N2)C3=CC=CC=C3)C4=CC=CC=C4" | 21 | "C74BDFD77A67E657" |
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