product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"D3B8ECF8341DDFD3_C14BA96976992B13_6003_UN" | "OC(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2[N+]#[C-])[N](=O)=O" | 21 | "32BB3F41D450353E" |
"FA144399D28CA73B_C61C5C1B17D416B1_6003_UN" | "OC(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2C#N)[N](=O)=O" | 21 | "32BB3F41D450353E" |
"F26532C891231BC3_2E9CFE7F892A3FCD_6003_UN" | "OC(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-])[N](=O)=O" | 21 | "32BB3F41D450353E" |
"777511C2A582529B_A0A77B9D3607E8B3_6003_UN" | "OC(=O)C1=CC(=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-])[N](=O)=O" | 21 | "32BB3F41D450353E" |
"2BA931F0E528A02C_7D91B272542B7662_6006_UN" | "CC3CNC1=C(C=C(C=C1C2=CC=N[N]2C)C(F)(F)F)C3" | 21 | "334F06F0A21F6594" |
"A2CFBC8B7B2B8502_8F860C6EE226CA7B_6006_UN" | "CC3CNC1=C(C=C(C=C1C2=C[N](C)N=C2)C(F)(F)F)C3" | 21 | "334F06F0A21F6594" |
"7C0D8FFE8621AE58_4950362AC4CBEC34_6006_UN" | "CC3CNC1=C(C=C(C=C1C2=CN=CN=C2)C(F)(F)F)C3" | 21 | "334F06F0A21F6594" |
"F421CCEA37DDA06B_3683921BCFC683F1_6006_UN" | "CC3CNC1=C(C=C(C=C1C2=CC=CC=C2)C(F)(F)F)C3" | 21 | "334F06F0A21F6594" |
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