Worst predictions : D4H0_fi_e128_s5_lowestPos.txt

rAtomId = 7123, atomId = 11986, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.00722682302377, rank prediction = 328 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1914, atomId = 1762, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.306177388509, rank prediction = 1489 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4371, atomId = 1762, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.376962288231, rank prediction = 1531 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.386757494104, rank prediction = 1540 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7404, atomId = 2462, opReactId = 1544 rxnConditionsId= 1, smi = C[CH:1]=Cc1ccccc1 target = 1, prediction = 0.488029814905, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13791, atomId = 10474, opReactId = 2677 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC[NH2:1] target = 1, prediction = 0.519793809326, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11371, atomId = 10800, opReactId = 2711 rxnConditionsId= 1, smi = C[CH:1](C(C)(C)C)Br target = 1, prediction = 0.573243190389, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13330, atomId = 3940, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.590070422432, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.594715059879, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13325, atomId = 3936, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.598807648222, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.603303107747, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15931, atomId = 1453, opReactId = 1520 rxnConditionsId= 1, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.612003929967, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1902, atomId = 1765, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.617473853725, rank prediction = 1655 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15935, atomId = 1463, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.621569008231, rank prediction = 1658 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15930, atomId = 1459, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.626166023382, rank prediction = 1661 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15044, atomId = 3091, opReactId = 1794 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1Br target = 1, prediction = 0.656636909685, rank prediction = 1668 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.660898686346, rank prediction = 1670 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16009, atomId = 3940, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.663704391948, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2601, atomId = 2006, opReactId = 1720 rxnConditionsId= 1, smi = [cH:1]1ccccc1 target = 1, prediction = 0.666091301505, rank prediction = 1674 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16007, atomId = 3936, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.671745256925, rank prediction = 1678 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18340, atomId = 1453, opReactId = 1520 rxnConditionsId= 2, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.683809239406, rank prediction = 1682 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4360, atomId = 1765, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.688781640017, rank prediction = 1683 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16015, atomId = 3927, opReactId = 1900 rxnConditionsId= 2, smi = [CH2:1]=CCc1ccccc1 target = 1, prediction = 0.691838545663, rank prediction = 1684 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10651, atomId = 1231, opReactId = 1656 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C target = 1, prediction = 0.692150117821, rank prediction = 1686 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18352, atomId = 1463, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.69249357854, rank prediction = 1688 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18333, atomId = 1459, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.696649508936, rank prediction = 1691 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7964, atomId = 2707, opReactId = 1770 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC[C+](C)C)C target = 1, prediction = 0.72127074546, rank prediction = 1696 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4369, atomId = 1756, opReactId = 1568 rxnConditionsId= 2, smi = [CH2:1]=Cc1ccccc1 target = 1, prediction = 0.722848784584, rank prediction = 1697 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.723585375148, rank prediction = 1698 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7475, atomId = 3091, opReactId = 1794 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1Br target = 1, prediction = 0.723908475633, rank prediction = 1699 isPredictedFilled = True, isPredictedUnfilled = False