Worst predictions : D4H20_un_e132_s1_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.00242222535966, rank prediction = 555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8065, atomId = 8151, opReactId = 2398 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Cl target = 1, prediction = 0.170767845627, rank prediction = 1403 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12151, atomId = 12329, opReactId = 2875 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C)C(=O)OCC target = 1, prediction = 0.173114424575, rank prediction = 1407 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5035, atomId = 1757, opReactId = 1569 rxnConditionsId= 1, smi = [CH3:1][CH+]c1ccccc1 target = 1, prediction = 0.227787011824, rank prediction = 1449 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.250083229915, rank prediction = 1470 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.256633800558, rank prediction = 1473 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8899, atomId = 8334, opReactId = 2362 rxnConditionsId= 6, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.274705866886, rank prediction = 1485 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.34182578904, rank prediction = 1526 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10934, atomId = 1573, opReactId = 1471 rxnConditionsId= 8, smi = [CH3:1]C=[OH+] target = 1, prediction = 0.360108063994, rank prediction = 1532 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3476, atomId = 3328, opReactId = 1734 rxnConditionsId= 1, smi = [CH2:1]1C[OH+]1 target = 1, prediction = 0.375652636442, rank prediction = 1539 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.476728185193, rank prediction = 1585 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.5313221894, rank prediction = 1595 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11372, atomId = 8334, opReactId = 2362 rxnConditionsId= 7, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.582868176894, rank prediction = 1614 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2305, atomId = 8873, opReactId = 2474 rxnConditionsId= 3, smi = CCOC(=O)C[CH2:1]Cl target = 1, prediction = 0.621458561584, rank prediction = 1629 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10714, atomId = 13784, opReactId = 3012 rxnConditionsId= 1, smi = [CH3:1][N+](=O)[O-] target = 1, prediction = 0.621658521597, rank prediction = 1630 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.640143878681, rank prediction = 1637 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1126, atomId = 8366, opReactId = 2411 rxnConditionsId= 1, smi = CCO[C:1](CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-] target = 1, prediction = 0.668692086302, rank prediction = 1644 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12740, atomId = 9481, opReactId = 2530 rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.683041205844, rank prediction = 1648 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15716, atomId = 6721, opReactId = 2225 rxnConditionsId= 3, smi = [Li]O[C:1](CCC(=O)N(C)C)(c1ccccc1)OCC target = 1, prediction = 0.692519067291, rank prediction = 1652 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.699988542108, rank prediction = 1654 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11428, atomId = 5772, opReactId = 2137 rxnConditionsId= 3, smi = C[CH2:1]CBr target = 1, prediction = 0.708197901477, rank prediction = 1655 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18390, atomId = 12600, opReactId = 2904 rxnConditionsId= 1, smi = CC=[NH+:1]O target = 1, prediction = 0.74868020775, rank prediction = 1662 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10789, atomId = 14281, opReactId = 3080 rxnConditionsId= 1, smi = CCC([CH:1](C)C=O)O target = 1, prediction = 0.753095623198, rank prediction = 1664 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6142, atomId = 8366, opReactId = 2411 rxnConditionsId= 3, smi = CCO[C:1](CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-] target = 1, prediction = 0.756328518694, rank prediction = 1665 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.76064830662, rank prediction = 1666 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18428, atomId = 5412, opReactId = 2080 rxnConditionsId= 7, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.763908913965, rank prediction = 1667 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12491, atomId = 2018, opReactId = 1711 rxnConditionsId= 1, smi = CC[CH:1]=[N+](C)C target = 1, prediction = 0.765527837949, rank prediction = 1668 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16952, atomId = 4831, opReactId = 2009 rxnConditionsId= 1, smi = C(CC(=O)[OH:1])C=O target = 1, prediction = 0.780941886529, rank prediction = 1671 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12494, atomId = 2017, opReactId = 1711 rxnConditionsId= 1, smi = C[CH2:1]C=[N+](C)C target = 1, prediction = 0.781112372798, rank prediction = 1672 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2391, atomId = 8811, opReactId = 2468 rxnConditionsId= 1, smi = C[CH:1](C)C(C)Br target = 1, prediction = 0.787621643164, rank prediction = 1673 isPredictedFilled = False, isPredictedUnfilled = True