Worst predictions : D4H20_un_e125_s7_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.00461569957346, rank prediction = 630 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15974, atomId = 9498, opReactId = 2534 rxnConditionsId= 1, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.0131392125499, rank prediction = 834 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10805, atomId = 9498, opReactId = 2534 rxnConditionsId= 3, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.019784018819, rank prediction = 910 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0287395104134, rank prediction = 972 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.0666937309974, rank prediction = 1146 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.0789791345751, rank prediction = 1189 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12388, atomId = 8506, opReactId = 2443 rxnConditionsId= 6, smi = C1=CC#[C:1]N=C1 target = 1, prediction = 0.329440089301, rank prediction = 1417 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12390, atomId = 8505, opReactId = 2443 rxnConditionsId= 6, smi = C1=C[C:1]#CN=C1 target = 1, prediction = 0.364849048133, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.396085476595, rank prediction = 1447 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7176, atomId = 13947, opReactId = 3032 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC(=O)C target = 1, prediction = 0.426889849777, rank prediction = 1454 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12207, atomId = 1402, opReactId = 1596 rxnConditionsId= 1, smi = [CH3:1]C=O target = 1, prediction = 0.486536952923, rank prediction = 1477 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17573, atomId = 6711, opReactId = 2224 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.490880507801, rank prediction = 1480 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10730, atomId = 11097, opReactId = 2750 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=O)[NH:1]C2=O target = 1, prediction = 0.501397783321, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10437, atomId = 14808, opReactId = 3117 rxnConditionsId= 1, smi = C1C[CH:1]=CC(=O)C1 target = 1, prediction = 0.563489892581, rank prediction = 1506 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365 rxnConditionsId= 1, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.565562203591, rank prediction = 1509 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16406, atomId = 9942, opReactId = 2593 rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC target = 1, prediction = 0.567024401054, rank prediction = 1511 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17111, atomId = 1402, opReactId = 1596 rxnConditionsId= 3, smi = [CH3:1]C=O target = 1, prediction = 0.573068211756, rank prediction = 1513 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4845, atomId = 6711, opReactId = 2224 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.605945771124, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15003, atomId = 5789, opReactId = 2126 rxnConditionsId= 3, smi = CC(=O)C[CH:1]=O target = 1, prediction = 0.613212307511, rank prediction = 1526 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8742, atomId = 1321, opReactId = 1660 rxnConditionsId= 1, smi = C[CH2:1][CH+]OC target = 1, prediction = 0.617384000779, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18568, atomId = 6075, opReactId = 2158 rxnConditionsId= 1, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.628145460639, rank prediction = 1532 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10297, atomId = 5186, opReactId = 2044 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+:1]2)O target = 1, prediction = 0.643874137983, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5049, atomId = 5501, opReactId = 2077 rxnConditionsId= 6, smi = CC=CC1CCC[CH2:1]C1Br target = 1, prediction = 0.645916921898, rank prediction = 1538 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5415, atomId = 14713, opReactId = 3111 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CCCC(=O)C target = 1, prediction = 0.6515098824, rank prediction = 1542 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365 rxnConditionsId= 3, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.651555155784, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2289, atomId = 9203, opReactId = 2520 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1F target = 1, prediction = 0.676697552811, rank prediction = 1554 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13450, atomId = 6075, opReactId = 2158 rxnConditionsId= 3, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.693986722007, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6608, atomId = 6402, opReactId = 2199 rxnConditionsId= 3, smi = c1ccc(cc1)[C:1](=O)C2CCC3(CC2)OCCO3 target = 1, prediction = 0.698147004179, rank prediction = 1559 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4725, atomId = 8393, opReactId = 2434 rxnConditionsId= 1, smi = C(C[CH:1]=O)C[O-] target = 1, prediction = 0.699564016628, rank prediction = 1561 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2287, atomId = 9204, opReactId = 2520 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1F target = 1, prediction = 0.704620420037, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True