product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"82B7E54931CBBAFB_508B2C47146AB4C9_6006_UN" | "CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=C[N](C)N=C3" | 21 | "EC4226D954531B26" |
"62D84728A1D23613_965D160332879286_6006_UN" | "CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CN=CN=C3" | 21 | "EC4226D954531B26" |
"85905129C8A0D7CC_E98EB232398AFD43_6006_UN" | "CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC=CC=C3" | 21 | "EC4226D954531B26" |
"A5E0A346965ED812_A7A3B1073DF6AA37_6006_UN" | "CC2=C(N=C1C=CC(=CC1=C2)[S](=O)(=O)Cl)C3=CC=NC=C3" | 21 | "EC4226D954531B26" |
"9AAF1597B3B09AC0_8A3004E2570A81FA_6031_DP" | "CCCC(N)C(=O)OCC(CN)CC1=C(C=CC(=C1)Br)F" | 21 | "EC8B6E0549821134" |
"81B11456182CFB6B_FE803D990D64E9E4_6031_DP" | "CCCC(N)C(=O)OCC(CN)CC1=CC(=CC(=C1)F)Br" | 21 | "EC8B6E0549821134" |
"52E122E94C854D13_C5F772D46D536C25_6031_DP" | "CCCC(N)C(=O)OCC1(CCNCC1)C2=CC=CC=C2" | 21 | "EC8B6E0549821134" |
"B5B6967A67B2E036_CACDC9E05D9859B4_6031_DP" | "CCCC(N)C(=O)OCC23OC1(CCNCC1)C(C2)(N)C3" | 21 | "EC8B6E0549821134" |
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