Worst predictions : D4H10_un_e133_s8_lowestPos.txt

rAtomId = 18726, atomId = 12579, opReactId = 2923 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C(=O)OCC)NC(=O)C target = 1, prediction = 0.0110635834285, rank prediction = 823 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1411, atomId = 6959, opReactId = 2257 rxnConditionsId= 1, smi = c1c[c:1](ccc1[N+](=O)[O-])I target = 1, prediction = 0.0199464366735, rank prediction = 920 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12151, atomId = 12329, opReactId = 2875 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C)C(=O)OCC target = 1, prediction = 0.0213075755927, rank prediction = 935 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13933, atomId = 6959, opReactId = 2257 rxnConditionsId= 3, smi = c1c[c:1](ccc1[N+](=O)[O-])I target = 1, prediction = 0.0295578002024, rank prediction = 998 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17635, atomId = 11554, opReactId = 2808 rxnConditionsId= 3, smi = c1ccc2c(c1)-c3ccccc3C2CO[C:1](=O)ON4C(=O)CCC4=O target = 1, prediction = 0.126234638999, rank prediction = 1242 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8065, atomId = 8151, opReactId = 2398 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Cl target = 1, prediction = 0.167432118186, rank prediction = 1286 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.184172893694, rank prediction = 1305 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11639, atomId = 10513, opReactId = 2674 rxnConditionsId= 3, smi = CCC([CH3:1])(C)[N+](C)(C)C target = 1, prediction = 0.256935295851, rank prediction = 1357 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3154, atomId = 10789, opReactId = 2710 rxnConditionsId= 3, smi = C[CH2:1]C(CC)(C(C)C)[N+](C)(C)C target = 1, prediction = 0.260479428827, rank prediction = 1361 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 = 0.287328177069, rank prediction = 1374 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 = 0.354354168979, rank prediction = 1408 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5035, atomId = 1757, opReactId = 1569 rxnConditionsId= 1, smi = [CH3:1][CH+]c1ccccc1 target = 1, prediction = 0.402553304815, rank prediction = 1433 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17761, atomId = 12077, opReactId = 2839 rxnConditionsId= 1, smi = C(=O)(C(F)(F)F)[OH:1] target = 1, prediction = 0.416454742114, rank prediction = 1444 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099 rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC target = 1, prediction = 0.42259274445, rank prediction = 1447 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16056, atomId = 10088, opReactId = 2602 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C(C)Br target = 1, prediction = 0.45354359902, rank prediction = 1458 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7684, atomId = 10963, opReactId = 2731 rxnConditionsId= 1, smi = C[CH2:1][CH+]C target = 1, prediction = 0.456414567201, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5194, atomId = 4667, opReactId = 1964 rxnConditionsId= 1, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.465449570054, rank prediction = 1463 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18734, atomId = 11207, opReactId = 2766 rxnConditionsId= 1, smi = C[CH:1](CBr)O target = 1, prediction = 0.471887941701, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2872, atomId = 14984, opReactId = 3129 rxnConditionsId= 1, smi = c1ccc(c(c1)[N+](=O)[O-])[OH:1] target = 1, prediction = 0.537197760271, rank prediction = 1490 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099 rxnConditionsId= 1, smi = CC[C:1](=O)OCC target = 1, prediction = 0.555026133147, rank prediction = 1501 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10342, atomId = 4667, opReactId = 1964 rxnConditionsId= 3, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.556605900877, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12692, atomId = 5809, opReactId = 2132 rxnConditionsId= 3, smi = CC(=O)CC=[NH+:1]C target = 1, prediction = 0.568333592492, rank prediction = 1505 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10346, atomId = 4305, opReactId = 1807 rxnConditionsId= 2, smi = CC[C:1]#[NH+] target = 1, prediction = 0.576265252004, rank prediction = 1510 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5049, atomId = 5501, opReactId = 2077 rxnConditionsId= 6, smi = CC=CC1CCC[CH2:1]C1Br target = 1, prediction = 0.609110975363, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.625666400842, rank prediction = 1528 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15088, atomId = 8742, opReactId = 2453 rxnConditionsId= 1, smi = CC(C)[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.690858813033, rank prediction = 1549 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3758, atomId = 7945, opReactId = 2377 rxnConditionsId= 1, smi = CCOC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.706767059989, rank prediction = 1553 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.709095097659, rank prediction = 1554 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1153, atomId = 1603, opReactId = 1487 rxnConditionsId= 3, smi = CC1[CH2:1]O1 target = 1, prediction = 0.7138936981, rank prediction = 1555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15078, atomId = 8745, opReactId = 2453 rxnConditionsId= 1, smi = CC(C)C(=O)[CH2:1]c1ccccc1 target = 1, prediction = 0.716071736522, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True