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rAtomId = 7796, atomId = 2897, opReactId = 1662 rxnConditionsId= 1, smi = C[CH:1]=CC=CC target = 1, prediction = 0.154043010826, rank prediction = 1317 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.185980428165, rank prediction = 1353 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.219288751458, rank prediction = 1400 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 7735, atomId = 3734, opReactId = 1813 rxnConditionsId= 1, smi = CC(=[O:1])C=C target = 1, prediction = 0.349422519451, rank prediction = 1497 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 3385, atomId = 11779, opReactId = 2818 rxnConditionsId= 3, smi = CCC(=O)[OH:1] target = 1, prediction = 0.375583078148, rank prediction = 1513 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.402505932812, rank prediction = 1533 isPredictedFilled = True, isPredictedUnfilled = True |
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rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.477742004777, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.488006129791, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 4983, atomId = 7855, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCCC([CH:1]1Cl)C target = 1, prediction = 0.497768922304, rank prediction = 1572 isPredictedFilled = True, isPredictedUnfilled = True |
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rAtomId = 1213, atomId = 11172, opReactId = 2757 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC(C(C)C)Cl target = 1, prediction = 0.520191289978, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 2520, atomId = 2333, opReactId = 1603 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.524811409147, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 6054, atomId = 4969, opReactId = 2011 rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+] target = 1, prediction = 0.547327062557, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = True |
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rAtomId = 2990, atomId = 2957, opReactId = 1727 rxnConditionsId= 1, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.553797512511, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.575120015826, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = True |
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rAtomId = 10132, atomId = 2333, opReactId = 1603 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.613455992239, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 7292, atomId = 12637, opReactId = 2912 rxnConditionsId= 2, smi = [CH2:1]=CCCCCc1ccccc1 target = 1, prediction = 0.627580768199, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.629597398149, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 18429, atomId = 5413, opReactId = 2080 rxnConditionsId= 7, smi = C=C([O-:1])Cl target = 1, prediction = 0.639889072653, rank prediction = 1630 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 10536, atomId = 2957, opReactId = 1727 rxnConditionsId= 2, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.640736420706, rank prediction = 1631 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.647785406186, rank prediction = 1633 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 1550, atomId = 10868, opReactId = 2720 rxnConditionsId= 1, smi = CC(C)[C:1](C)(Cc1ccccc1)Br target = 1, prediction = 0.666878465838, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = True |
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rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.708502120169, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.713732200796, rank prediction = 1650 isPredictedFilled = True, isPredictedUnfilled = True |
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rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.715483870791, rank prediction = 1651 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 14212, atomId = 4603, opReactId = 1978 rxnConditionsId= 1, smi = C[CH:1]=CO target = 1, prediction = 0.751833083842, rank prediction = 1659 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 11185, atomId = 6289, opReactId = 2189 rxnConditionsId= 3, smi = [Li][CH2:1]C=C target = 1, prediction = 0.761869064674, rank prediction = 1661 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 12372, atomId = 2385, opReactId = 1624 rxnConditionsId= 1, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.773625946056, rank prediction = 1663 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 9511, atomId = 12439, opReactId = 2890 rxnConditionsId= 1, smi = [NH2:1]O target = 1, prediction = 0.775486572083, rank prediction = 1664 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 15771, atomId = 5413, opReactId = 2080 rxnConditionsId= 6, smi = C=C([O-:1])Cl target = 1, prediction = 0.77698172254, rank prediction = 1665 isPredictedFilled = True, isPredictedUnfilled = False |
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rAtomId = 9890, atomId = 11674, opReactId = 2835 rxnConditionsId= 2, smi = COc1cc[cH:1]cc1Br target = 1, prediction = 0.799696709021, rank prediction = 1669 isPredictedFilled = True, isPredictedUnfilled = False |