Worst predictions : D4H10_un_e127_s4_lowestPos.txt

rAtomId = 6793, atomId = 15037, opReactId = 3137 rxnConditionsId= 1, smi = CC1([C:1](=O)CCC1=O)CCC(=CCCc2cccc(c2)OC)[O-] target = 1, prediction = 0.0739429357138, rank prediction = 1182 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2493, atomId = 7896, opReactId = 2366 rxnConditionsId= 3, smi = CN(C)[C:1](=O)CC#N target = 1, prediction = 0.161242334979, rank prediction = 1295 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10696, atomId = 5815, opReactId = 2133 rxnConditionsId= 1, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.162660124662, rank prediction = 1296 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5713, atomId = 5815, opReactId = 2133 rxnConditionsId= 3, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.210430534415, rank prediction = 1336 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7936, atomId = 6169, opReactId = 2173 rxnConditionsId= 3, smi = CCOC(=O)C[C:1](=O)C target = 1, prediction = 0.215552634813, rank prediction = 1340 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10702, atomId = 5823, opReactId = 2133 rxnConditionsId= 1, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.296567226011, rank prediction = 1392 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.315334402367, rank prediction = 1405 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.358292227438, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5717, atomId = 5823, opReactId = 2133 rxnConditionsId= 3, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.374128737171, rank prediction = 1441 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14459, atomId = 6554, opReactId = 2230 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.387929653824, rank prediction = 1451 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5194, atomId = 4667, opReactId = 1964 rxnConditionsId= 1, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.435642077157, rank prediction = 1469 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9226, atomId = 6554, opReactId = 2230 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.454131169714, rank prediction = 1477 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18734, atomId = 11207, opReactId = 2766 rxnConditionsId= 1, smi = C[CH:1](CBr)O target = 1, prediction = 0.477787309527, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4483, atomId = 6342, opReactId = 2187 rxnConditionsId= 3, smi = CCOC(=O)CC(=[NH+:1]C)C target = 1, prediction = 0.493287568488, rank prediction = 1499 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7782, atomId = 9887, opReactId = 2586 rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)(C)Br target = 1, prediction = 0.507139626583, rank prediction = 1508 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13017, atomId = 4449, opReactId = 1955 rxnConditionsId= 2, smi = C[C:1]#[NH+] target = 1, prediction = 0.524905297142, rank prediction = 1514 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10342, atomId = 4667, opReactId = 1964 rxnConditionsId= 3, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.537477232509, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12694, atomId = 5758, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=C[C:1]#C1 target = 1, prediction = 0.570424401076, rank prediction = 1533 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16760, atomId = 14781, opReactId = 3121 rxnConditionsId= 1, smi = CCC(C)O[C:1](=O)C target = 1, prediction = 0.578698990376, rank prediction = 1537 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15451, atomId = 14124, opReactId = 3055 rxnConditionsId= 1, smi = CCO[CH:1](C1CCCCC1=O)[O-] target = 1, prediction = 0.623921280478, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6054, atomId = 4969, opReactId = 2011 rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+] target = 1, prediction = 0.624553738165, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.636673888931, rank prediction = 1564 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12699, atomId = 5759, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=CC#[C:1]1 target = 1, prediction = 0.63984682985, rank prediction = 1566 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6500, atomId = 7043, opReactId = 2279 rxnConditionsId= 1, smi = C[C:1](=O)OC target = 1, prediction = 0.639933613474, rank prediction = 1567 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5545, atomId = 4449, opReactId = 1955 rxnConditionsId= 1, smi = C[C:1]#[NH+] target = 1, prediction = 0.674326252627, rank prediction = 1579 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15525, atomId = 14974, opReactId = 3132 rxnConditionsId= 1, smi = COc1cccc(c1)CCCC(=O)C=[CH2:1] target = 1, prediction = 0.697259300331, rank prediction = 1587 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3758, atomId = 7945, opReactId = 2377 rxnConditionsId= 1, smi = CCOC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.7032696172, rank prediction = 1589 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11676, atomId = 1694, opReactId = 1559 rxnConditionsId= 1, smi = COC(=[OH+])C=[CH2:1] target = 1, prediction = 0.719584724592, rank prediction = 1591 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13769, atomId = 5486, opReactId = 2081 rxnConditionsId= 6, smi = [CH3:1]C(C)(Br)Br target = 1, prediction = 0.74210484365, rank prediction = 1595 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11462, atomId = 7043, opReactId = 2279 rxnConditionsId= 3, smi = C[C:1](=O)OC target = 1, prediction = 0.748776154667, rank prediction = 1600 isPredictedFilled = False, isPredictedUnfilled = True