Worst predictions : D4H10_fi_e127_s0_lowestPos.txt

rAtomId = 9776, atomId = 10303, opReactId = 2669 rxnConditionsId= 3, smi = C(CCN)CC(=O)[OH:1] target = 1, prediction = 0.234535454696, rank prediction = 1456 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5593, atomId = 2942, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.393637314093, rank prediction = 1525 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.422561064042, rank prediction = 1533 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5589, atomId = 2946, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.436929584554, rank prediction = 1538 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.440168377407, rank prediction = 1539 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8088, atomId = 2942, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.527298769292, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17210, atomId = 1347, opReactId = 1667 rxnConditionsId= 3, smi = C[N:1](C)c1ccccc1 target = 1, prediction = 0.529341933671, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.537032254121, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.560944364485, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.567055791345, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 8085, atomId = 2946, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.576169011461, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.669845515308, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11215, atomId = 12431, opReactId = 2889 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)OC(=O)Cl target = 1, prediction = 0.679505269289, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1783, atomId = 5985, opReactId = 2156 rxnConditionsId= 1, smi = CC[CH:1](C)Br target = 1, prediction = 0.699650961888, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4861, atomId = 4061, opReactId = 1914 rxnConditionsId= 1, smi = COC(=O)C1CCC(CC1)([OH2+])[O:1]CCO target = 1, prediction = 0.752355119601, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.775282292269, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.787886260438, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15994, atomId = 3101, opReactId = 1684 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])Cl target = 1, prediction = 0.791190614716, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.815022437257, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.830271771297, rank prediction = 1637 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6902, atomId = 1121, opReactId = 1497 rxnConditionsId= 1, smi = CC[C:1](=C(C)CC)C target = 1, prediction = 0.848408426978, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17998, atomId = 11156, opReactId = 2759 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C target = 1, prediction = 0.855836455341, rank prediction = 1644 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5641, atomId = 2605, opReactId = 1650 rxnConditionsId= 1, smi = COc1cc[cH:1]c2c1cccc2 target = 1, prediction = 0.887085738559, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8260, atomId = 10439, opReactId = 2672 rxnConditionsId= 3, smi = CC=CC1CCCC(C1[NH:1]C)C target = 1, prediction = 0.890637852321, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3198, atomId = 4082, opReactId = 1924 rxnConditionsId= 1, smi = C[OH+]C(c1ccccc1)(N)[OH:1] target = 1, prediction = 0.899090610574, rank prediction = 1658 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.903980749179, rank prediction = 1659 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12326, atomId = 1344, opReactId = 1482 rxnConditionsId= 1, smi = CCC1(C[O:1]1)C target = 1, prediction = 0.904579643605, rank prediction = 1661 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10188, atomId = 8035, opReactId = 2373 rxnConditionsId= 3, smi = C[N-:1]C target = 1, prediction = 0.905943802447, rank prediction = 1662 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8970, atomId = 2119, opReactId = 1731 rxnConditionsId= 1, smi = CC[OH+]C(CCC(=O)NC)([OH:1])OC target = 1, prediction = 0.912646221062, rank prediction = 1664 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7654, atomId = 5223, opReactId = 2049 rxnConditionsId= 1, smi = CCC([OH:1])O target = 1, prediction = 0.919906572339, rank prediction = 1665 isPredictedFilled = True, isPredictedUnfilled = False