product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"5C34A57E6CB82D20_93C61414A010384F_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCCCC2=CC(=CS2)Br" | 21 | "BD9EBEB94CE6134B" |
"437A435D4A5D41F1_A9BFF77C115D0457_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCC2=CC(=C(C=C2)Br)C" | 21 | "BD9EBEB94CE6134B" |
"DBA597A35134D8F7_209F239DCABC7DC4_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCC(CC(OCC)=O)N" | 21 | "BD9EBEB94CE6134B" |
"9AC779A0E302BCB7_11BCDC420A3F6F8A_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCCC2=C(C)N=CC=N2" | 21 | "BD9EBEB94CE6134B" |
"72AA25F7797770B3_DB2B084B1EEB1EC6_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCC2CNCCC2(F)F" | 21 | "BD9EBEB94CE6134B" |
"48B676011A1FF656_B134369F12FB5D83_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCC2=C(N=CC(=C2)Br)Cl" | 21 | "BD9EBEB94CE6134B" |
"9ACECB019BA30502_171695DD5D9F1094_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCC2=CC(=NC(=C2)Br)C" | 21 | "BD9EBEB94CE6134B" |
"6D3AE0E481C134A6_0BF725D5B22246A9_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCC2=CN=C(COC)S2" | 21 | "BD9EBEB94CE6134B" |
"5EA2C7046B869A24_9F12F9A264705FFB_6031_UN" | "C[S](=O)(=O)C1=C(SC=C1)C(=O)OCC2=NN=C(C(C)C)[NH]2" | 21 | "BD9EBEB94CE6134B" |
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