product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"7E2073EEEB671825_9138AC6A513D0D6B_6006_UN" | "CCN(C)CCNC(=O)C1=C(C=C(C=C1)N)C2=CSC=C2" | 21 | "F6B5FD2CB90F14AF" |
"01EB5CAC8826AC59_0863083E0C43BBC2_6006_UN" | "CCN(C)CCNC(=O)C1=C(C=C(C=C1)N)C2=CON=C2" | 21 | "F6B5FD2CB90F14AF" |
"50A5336A54F1BA5A_9B1B9275A6CB3FCA_6006_UN" | "CCN(C)CCNC(=O)C1=C(C=C(C=C1)N)C2=C[NH]N=C2" | 21 | "F6B5FD2CB90F14AF" |
"F3C09727EB35B1CF_9137E5580FA5503E_6006_UN" | "CNC(=O)C1=C(C(=CC(=C1)C2=CSC=C2)[S](=O)(=O)N)OC" | 21 | "F6BAB41EE79749FA" |
"212361EEA1829A3F_086C410C52DBE697_6006_UN" | "CNC(=O)C1=C(C(=CC(=C1)C2=CON=C2)[S](=O)(=O)N)OC" | 21 | "F6BAB41EE79749FA" |
"6F24CA7A31F13B6C_9B14DB47F853629F_6006_UN" | "CNC(=O)C1=C(C(=CC(=C1)C2=C[NH]N=C2)[S](=O)(=O)N)OC" | 21 | "F6BAB41EE79749FA" |
"71C88F22D7A1678E_90D800F63C719363_6006_DP" | "N4CCCC3(CN(CC1=NN=C(C=C1)C2=CSC=C2)C3)C4" | 21 | "F75551B0D4438AA7" |
"F854CFD0E59DDDBB_0983A4A2610F25CA_6006_DP" | "N4CCCC3(CN(CC1=NN=C(C=C1)C2=CON=C2)C3)C4" | 21 | "F75551B0D4438AA7" |
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