product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"7F091CDD9DEE6B50_C2F14B0A83988069_1031_UN" | "COC1=C(N=CN=C1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "1B3EBE475AD9AF4E" |
"787F732F7AD1E00B_C7596BEE0C7E6FCF_6016_UN" | "NC1=NC4=C(C(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C=C[NH]4" | 21 | "1B5D646B408AA740" |
"3703D26315CB41ED_438AB9A334D349C1_1171_UN" | "N1=C(SC=C1C2=CC=C(C=C2)Br)C3(CC3)C4=CC=CC=C4" | 21 | "1B634E0E86CAE214" |
"E346482CC6AE1FCC_84F060BEF2595353_1031_UN" | "[N]1(CCNC(=O)C=C)C2=C(C(=C1C)C(OCC)=O)CCC2" | 21 | "1B6BD531D1608FE8" |
"8AE737FED95B14AF_84F7A5A21AED55F7_1031_UN" | "CN(CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C3CC3" | 21 | "1B6C102D39D4894C" |
"851A15B8A5426F0C_0E44274C817C48D2_6016_UN" | "NCC1=NN=C(O1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3" | 21 | "1B90BEF2805858FE" |
"C99761BADB873523_0E47679EC7A1ACFF_6016_UN" | "NC1=C(SC2=C1C=CC=C2C(=O)C3=CC=CC=C3)C(=O)O" | 21 | "1B93FE20C685BCD3" |
"E1A8935BF03C2B53_C7CE01B9745A60BE_6016_UN" | "C1(=CC2=C(N=C1)N=CC=N2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "1BCA0E3C38AEA831" |
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