Worst predictions : D4H0_fi_e126_s7_lowestPos.txt

rAtomId = 11671, atomId = 2348, opReactId = 1750 rxnConditionsId= 1, smi = CC1(CC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.0483503335979, rank prediction = 1053 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5589, atomId = 2946, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.0541978609752, rank prediction = 1076 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8085, atomId = 2946, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.0738461577217, rank prediction = 1140 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18539, atomId = 4985, opReactId = 2017 rxnConditionsId= 2, smi = [CH3:1]C1(CCC[CH+]1)C target = 1, prediction = 0.0817805837581, rank prediction = 1168 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5593, atomId = 2942, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.119939123396, rank prediction = 1228 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8088, atomId = 2942, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.15940374564, rank prediction = 1275 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9721, atomId = 6958, opReactId = 2258 rxnConditionsId= 3, smi = CCOC1([CH:1]=C[C-](C=C1)[N+](=O)[O-])I target = 1, prediction = 0.232426731447, rank prediction = 1340 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17977, atomId = 15352, opReactId = 3169 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.32624769018, rank prediction = 1405 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9278, atomId = 12787, opReactId = 2921 rxnConditionsId= 2, smi = C[CH+][CH2:1]Oc1ccccc1 target = 1, prediction = 0.344721460223, rank prediction = 1415 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4562, atomId = 8570, opReactId = 2441 rxnConditionsId= 6, smi = c1cnc[c-:1]c1N target = 1, prediction = 0.40392983227, rank prediction = 1442 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13003, atomId = 12549, opReactId = 2842 rxnConditionsId= 2, smi = COc1cc[cH:1]c(c1)[N+](=O)[O-] target = 1, prediction = 0.419204285921, rank prediction = 1450 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4983, atomId = 7855, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCCC([CH:1]1Cl)C target = 1, prediction = 0.444063315039, rank prediction = 1463 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1783, atomId = 5985, opReactId = 2156 rxnConditionsId= 1, smi = CC[CH:1](C)Br target = 1, prediction = 0.536344919188, rank prediction = 1497 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10195, atomId = 4374, opReactId = 1933 rxnConditionsId= 1, smi = C=CC(=[O:1])O target = 1, prediction = 0.627798589669, rank prediction = 1519 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3925, atomId = 9136, opReactId = 2488 rxnConditionsId= 3, smi = CC(=O)CCC=C=[N-:1] target = 1, prediction = 0.641545875138, rank prediction = 1523 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2601, atomId = 2006, opReactId = 1720 rxnConditionsId= 1, smi = [cH:1]1ccccc1 target = 1, prediction = 0.683296655926, rank prediction = 1534 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12809, atomId = 5518, opReactId = 2083 rxnConditionsId= 2, smi = C1CCC2(C1)CCC[CH:1]2[OH2+] target = 1, prediction = 0.718604430522, rank prediction = 1540 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1362, atomId = 1494, opReactId = 1685 rxnConditionsId= 1, smi = CC(C)[CH:1](C)[OH2+] target = 1, prediction = 0.719502061021, rank prediction = 1541 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14642, atomId = 12541, opReactId = 2903 rxnConditionsId= 1, smi = CC([NH:1]O)[OH2+] target = 1, prediction = 0.727005831385, rank prediction = 1544 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9018, atomId = 3151, opReactId = 1768 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC=C(C)C)C target = 1, prediction = 0.727902312446, rank prediction = 1545 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10651, atomId = 1231, opReactId = 1656 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C target = 1, prediction = 0.738571506568, rank prediction = 1548 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.742124091085, rank prediction = 1549 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3475, atomId = 10870, opReactId = 2732 rxnConditionsId= 1, smi = CC[C:1](C)(C(C)C)Br target = 1, prediction = 0.749682688324, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5090, atomId = 2006, opReactId = 1720 rxnConditionsId= 2, smi = [cH:1]1ccccc1 target = 1, prediction = 0.750128767564, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.754038650567, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1457, atomId = 3188, opReactId = 1802 rxnConditionsId= 1, smi = CC[N:1](CC)C(C=C)(O)O target = 1, prediction = 0.769382472123, rank prediction = 1554 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16869, atomId = 1494, opReactId = 1685 rxnConditionsId= 2, smi = CC(C)[CH:1](C)[OH2+] target = 1, prediction = 0.781141102733, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7263, atomId = 1843, opReactId = 1581 rxnConditionsId= 1, smi = C[C:1]1(CCC(=O)C1)[OH2+] target = 1, prediction = 0.794588986503, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4008, atomId = 1231, opReactId = 1656 rxnConditionsId= 2, smi = C[CH+][CH:1](C)C target = 1, prediction = 0.797201193269, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3935, atomId = 1849, opReactId = 1580 rxnConditionsId= 1, smi = C1CC[O:1]C(C1)[OH2+] target = 1, prediction = 0.853524743779, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = False