product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"92F0B4115798D69F_FACDC578889D1DFD_6003_UN" | "O(C2CCN(CC1=CSC=C1)CC2)C3=CC=C(C=C3)[N+]#[C-]" | 21 | "E6EA0446D5E7170E" |
"159FC238F715DAA6_74F6409A37B0CA83_6003_UN" | "O(C2CCN(CC1=CSC=C1)CC2)C3=CC=CC(=C3)[N+]#[C-]" | 21 | "E6EA0446D5E7170E" |
"98B076AC8B9C601D_2BE728F229584FD7_6003_UN" | "O(C1=CC(=C(C=C1)C(F)(F)F)C#N)C2=CC=C(C=C2)C#N" | 21 | "E73744D2CA09ECDB" |
"2B44AD67265C5F1A_14C7D2FA68C0F2F6_6003_UN" | "O(C1=CC(=C(C=C1)C(F)(F)F)C#N)C2=CC=CC=C2[N+]#[C-]" | 21 | "E73744D2CA09ECDB" |
"9828769F7203AC73_13902788098DCF54_6003_UN" | "O(C1=CC(=C(C=C1)C(F)(F)F)C#N)C2=CC=CC=C2C#N" | 21 | "E73744D2CA09ECDB" |
"236BC57E37191BA7_FB1085EC9773E628_6003_UN" | "O(C1=CC(=C(C=C1)C(F)(F)F)C#N)C2=CC=C(C=C2)[N+]#[C-]" | 21 | "E73744D2CA09ECDB" |
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