Worst predictions : D4H0_un_e128_s2_lowestPos.txt

rAtomId = 12775, atomId = 8293, opReactId = 2407 rxnConditionsId= 1, smi = CN(C)C(=O)C[CH2:1]C(=O)OC target = 1, prediction = 0.275582773702, rank prediction = 1232 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2783, atomId = 3922, opReactId = 1918 rxnConditionsId= 1, smi = CC(C1(CCC[OH+:1]1)C)Br target = 1, prediction = 0.333244604302, rank prediction = 1286 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5145, atomId = 2585, opReactId = 1760 rxnConditionsId= 1, smi = C=CC[CH2:1][OH2+] target = 1, prediction = 0.334517138634, rank prediction = 1288 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17790, atomId = 8293, opReactId = 2407 rxnConditionsId= 3, smi = CN(C)C(=O)C[CH2:1]C(=O)OC target = 1, prediction = 0.358918535819, rank prediction = 1300 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.437048933461, rank prediction = 1346 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099 rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC target = 1, prediction = 0.440100628575, rank prediction = 1347 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18668, atomId = 5952, opReactId = 2149 rxnConditionsId= 1, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.441079346459, rank prediction = 1348 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.468687107193, rank prediction = 1372 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13847, atomId = 11108, opReactId = 2751 rxnConditionsId= 1, smi = C(C#N)[OH:1] target = 1, prediction = 0.493848748821, rank prediction = 1393 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16056, atomId = 10088, opReactId = 2602 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C(C)Br target = 1, prediction = 0.498444727843, rank prediction = 1397 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11428, atomId = 5772, opReactId = 2137 rxnConditionsId= 3, smi = C[CH2:1]CBr target = 1, prediction = 0.522799376842, rank prediction = 1413 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15451, atomId = 14124, opReactId = 3055 rxnConditionsId= 1, smi = CCO[CH:1](C1CCCCC1=O)[O-] target = 1, prediction = 0.529195113167, rank prediction = 1419 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12078, atomId = 15105, opReactId = 3139 rxnConditionsId= 1, smi = CC12CCC(=O)[CH:1](C1(CCC2=O)O)CCc3cccc(c3)OC target = 1, prediction = 0.536570986519, rank prediction = 1425 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13654, atomId = 5952, opReactId = 2149 rxnConditionsId= 3, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.537339265073, rank prediction = 1426 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18531, atomId = 3497, opReactId = 1869 rxnConditionsId= 1, smi = C[CH2:1][CH+]O target = 1, prediction = 0.538089796669, rank prediction = 1427 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 = 0.546707472755, rank prediction = 1435 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10181, atomId = 14867, opReactId = 3126 rxnConditionsId= 1, smi = CC(=O)CCC(=O)[OH:1] target = 1, prediction = 0.556333141975, rank prediction = 1441 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3476, atomId = 3328, opReactId = 1734 rxnConditionsId= 1, smi = [CH2:1]1C[OH+]1 target = 1, prediction = 0.557946762207, rank prediction = 1443 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16760, atomId = 14781, opReactId = 3121 rxnConditionsId= 1, smi = CCC(C)O[C:1](=O)C target = 1, prediction = 0.583250672918, rank prediction = 1467 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8742, atomId = 1321, opReactId = 1660 rxnConditionsId= 1, smi = C[CH2:1][CH+]OC target = 1, prediction = 0.588916110132, rank prediction = 1471 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 = 0.602316177307, rank prediction = 1475 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099 rxnConditionsId= 1, smi = CC[C:1](=O)OCC target = 1, prediction = 0.607072161644, rank prediction = 1481 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8726, atomId = 11008, opReactId = 2729 rxnConditionsId= 1, smi = CCN(CC)C(=O)CCCC(=[N+]1CCCC1)[CH3:1] target = 1, prediction = 0.629779567365, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13021, atomId = 10059, opReactId = 2599 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CC target = 1, prediction = 0.633610239495, rank prediction = 1495 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5645, atomId = 14302, opReactId = 3071 rxnConditionsId= 1, smi = CC1(CCCC(=O)[CH2:1]1)O target = 1, prediction = 0.634367966039, rank prediction = 1496 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 = 0.639638292924, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12986, atomId = 6208, opReactId = 2179 rxnConditionsId= 1, smi = CN(C)C(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.652755380629, rank prediction = 1506 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18734, atomId = 11207, opReactId = 2766 rxnConditionsId= 1, smi = C[CH:1](CBr)O target = 1, prediction = 0.652942003632, rank prediction = 1507 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11136, atomId = 3577, opReactId = 1851 rxnConditionsId= 1, smi = CCO[CH:1](CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.658835654589, rank prediction = 1511 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2000, atomId = 8889, opReactId = 2464 rxnConditionsId= 7, smi = [CH3:1]C(=O)CBr target = 1, prediction = 0.6821859981, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True