Worst predictions : D4H10_fi_e125_s8_lowestPos.txt

rAtomId = 4011, atomId = 12111, opReactId = 2840 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)N target = 1, prediction = 0.0648307197327, rank prediction = 1318 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11236, atomId = 6011, opReactId = 2155 rxnConditionsId= 3, smi = CC(=[O:1])[O-] target = 1, prediction = 0.0658437463654, rank prediction = 1321 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6019, atomId = 6011, opReactId = 2155 rxnConditionsId= 1, smi = CC(=[O:1])[O-] target = 1, prediction = 0.13937179743, rank prediction = 1401 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7796, atomId = 2897, opReactId = 1662 rxnConditionsId= 1, smi = C[CH:1]=CC=CC target = 1, prediction = 0.256205489291, rank prediction = 1460 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1532, atomId = 5249, opReactId = 2054 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[OH+]CC[O:1]4)O target = 1, prediction = 0.287786037859, rank prediction = 1478 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1324, atomId = 12162, opReactId = 2862 rxnConditionsId= 2, smi = COc1[cH:1]cc(cc1)CBr target = 1, prediction = 0.296456035392, rank prediction = 1480 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4953, atomId = 2484, opReactId = 1501 rxnConditionsId= 1, smi = CC1(CCC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.34420657373, rank prediction = 1499 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4630, atomId = 10429, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:1] target = 1, prediction = 0.388316495162, rank prediction = 1519 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3385, atomId = 11779, opReactId = 2818 rxnConditionsId= 3, smi = CCC(=O)[OH:1] target = 1, prediction = 0.418308657193, rank prediction = 1527 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4636, atomId = 4630, opReactId = 1985 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C=O target = 1, prediction = 0.496749860814, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.551842406894, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.555007611573, rank prediction = 1570 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.602711098096, rank prediction = 1584 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.605163589781, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.612509210383, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.666674110156, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2674, atomId = 3123, opReactId = 1800 rxnConditionsId= 1, smi = CC(=[CH2:1])Br target = 1, prediction = 0.720552991602, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.73806282322, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12372, atomId = 2385, opReactId = 1624 rxnConditionsId= 1, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.765142401657, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1362, atomId = 1494, opReactId = 1685 rxnConditionsId= 1, smi = CC(C)[CH:1](C)[OH2+] target = 1, prediction = 0.770270280521, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16091, atomId = 7110, opReactId = 2269 rxnConditionsId= 3, smi = CC(CC(=O)c1ccc(cc1)I)(c2ccc(cc2)I)[O-:1] target = 1, prediction = 0.772462517808, rank prediction = 1624 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.778843848497, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4810, atomId = 4860, opReactId = 1840 rxnConditionsId= 1, smi = C[C:1]1(CCCC(=O)C1)[OH2+] target = 1, prediction = 0.800308082906, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2944, atomId = 1565, opReactId = 1498 rxnConditionsId= 1, smi = CC(=[CH:1]CCC=C(C)C)C target = 1, prediction = 0.806562147618, rank prediction = 1631 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.815840138207, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11423, atomId = 7884, opReactId = 2359 rxnConditionsId= 3, smi = CC(=O)CC[CH:1]=C[N-]C target = 1, prediction = 0.821038500648, rank prediction = 1636 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16869, atomId = 1494, opReactId = 1685 rxnConditionsId= 2, smi = CC(C)[CH:1](C)[OH2+] target = 1, prediction = 0.850232235131, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6334, atomId = 1477, opReactId = 1478 rxnConditionsId= 1, smi = CC[NH+](CC)C(C)[NH:1]C target = 1, prediction = 0.8585866523, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10651, atomId = 1231, opReactId = 1656 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C target = 1, prediction = 0.860278996037, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3935, atomId = 1849, opReactId = 1580 rxnConditionsId= 1, smi = C1CC[O:1]C(C1)[OH2+] target = 1, prediction = 0.8708815957, rank prediction = 1650 isPredictedFilled = True, isPredictedUnfilled = False