Worst predictions : D4H20_fi_e125_s9_lowestPos.txt

rAtomId = 10145, atomId = 5551, opReactId = 2092 rxnConditionsId= 3, smi = c1cc[n:1]cc1 target = 1, prediction = 0.0263647000295, rank prediction = 1167 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7523, atomId = 5545, opReactId = 2092 rxnConditionsId= 2, smi = c1[cH:1]cncc1 target = 1, prediction = 0.0701960976081, rank prediction = 1300 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1914, atomId = 1762, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.0926804291719, rank prediction = 1336 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4371, atomId = 1762, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.168260276733, rank prediction = 1402 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.215992169609, rank prediction = 1437 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.275177971462, rank prediction = 1461 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12623, atomId = 2623, opReactId = 1748 rxnConditionsId= 1, smi = C[C:1](=CCC[C+](C)C)C target = 1, prediction = 0.372843533477, rank prediction = 1493 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15768, atomId = 11168, opReactId = 2756 rxnConditionsId= 1, smi = CC(C)[CH:1](CC(C(C)C)Cl)Cl target = 1, prediction = 0.424834717765, rank prediction = 1508 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17485, atomId = 2061, opReactId = 1717 rxnConditionsId= 1, smi = c1c[cH:1]c(cc1)CBr target = 1, prediction = 0.452972343432, rank prediction = 1513 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17472, atomId = 2056, opReactId = 1717 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)CBr target = 1, prediction = 0.480069271648, rank prediction = 1521 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.558368270628, rank prediction = 1534 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9738, atomId = 5618, opReactId = 2090 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.591963899843, rank prediction = 1545 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14834, atomId = 2061, opReactId = 1717 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CBr target = 1, prediction = 0.618483869668, rank prediction = 1548 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14826, atomId = 2056, opReactId = 1717 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CBr target = 1, prediction = 0.644291356937, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17992, atomId = 5798, opReactId = 2114 rxnConditionsId= 6, smi = Cc1cccc([c-:1]1)N target = 1, prediction = 0.647533538186, rank prediction = 1559 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15453, atomId = 5093, opReactId = 2041 rxnConditionsId= 1, smi = C[N:1]=CC=C target = 1, prediction = 0.659312765034, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.674846225982, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.700366706663, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.700997823972, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1902, atomId = 1765, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.728495847425, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2907, atomId = 1608, opReactId = 1690 rxnConditionsId= 1, smi = C=CC=[O:1] target = 1, prediction = 0.779665427521, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.790216258537, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5840, atomId = 5618, opReactId = 2090 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.831801302009, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.83659968475, rank prediction = 1594 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4360, atomId = 1765, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.837649140221, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.840111042103, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15147, atomId = 5060, opReactId = 2038 rxnConditionsId= 2, smi = C[CH:1](C1(CCCC1)C)[OH2+] target = 1, prediction = 0.846259145992, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18688, atomId = 2563, opReactId = 1774 rxnConditionsId= 3, smi = CC[NH:1]C(C)[OH2+] target = 1, prediction = 0.859130804612, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16167, atomId = 1531, opReactId = 1527 rxnConditionsId= 1, smi = CCOC(=O)CCC(C)([OH2+])[O:1]CC target = 1, prediction = 0.863535182295, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17199, atomId = 3637, opReactId = 1784 rxnConditionsId= 1, smi = C=CC([OH:1])(O)Cl target = 1, prediction = 0.867825623257, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False