Worst predictions : D4H0_un_e125_s2_lowestPos.txt

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.180106881953, rank prediction = 1188 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.232276181227, rank prediction = 1259 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18726, atomId = 12579, opReactId = 2923 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C(=O)OCC)NC(=O)C target = 1, prediction = 0.292216680406, rank prediction = 1321 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 = 0.310398083606, rank prediction = 1336 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.315778683057, rank prediction = 1339 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.324279096024, rank prediction = 1346 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2364, atomId = 14508, opReactId = 3101 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCCC(=O)OCC target = 1, prediction = 0.346357609486, rank prediction = 1363 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3725, atomId = 14249, opReactId = 3068 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCCC(=O)C target = 1, prediction = 0.370281354403, rank prediction = 1377 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10587, atomId = 10376, opReactId = 2683 rxnConditionsId= 3, smi = CC=CC1CCC[CH:1](C1[N+](C)(C)C)C target = 1, prediction = 0.386961114042, rank prediction = 1389 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2457, atomId = 2189, opReactId = 1538 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.409012498962, rank prediction = 1404 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.409949323331, rank prediction = 1405 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14975, atomId = 2189, opReactId = 1538 rxnConditionsId= 3, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.494870570577, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9990, atomId = 13740, opReactId = 3005 rxnConditionsId= 1, smi = CCOC(=O)C=[CH2:1] target = 1, prediction = 0.520656668142, rank prediction = 1491 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10584, atomId = 10372, opReactId = 2683 rxnConditionsId= 3, smi = CC=C[CH:1]1CCCC(C1[N+](C)(C)C)C target = 1, prediction = 0.562458452618, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8419, atomId = 13679, opReactId = 3000 rxnConditionsId= 1, smi = CC([CH2:1]C=O)O target = 1, prediction = 0.588488712898, rank prediction = 1537 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3476, atomId = 3328, opReactId = 1734 rxnConditionsId= 1, smi = [CH2:1]1C[OH+]1 target = 1, prediction = 0.600156069467, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6849, atomId = 3913, opReactId = 1917 rxnConditionsId= 1, smi = CC[C:1](=O)C target = 1, prediction = 0.621312936601, rank prediction = 1564 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2454, atomId = 2200, opReactId = 1538 rxnConditionsId= 1, smi = CC(=O)CC[CH:1]=O target = 1, prediction = 0.632974277365, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181 rxnConditionsId= 1, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.634464082054, rank prediction = 1574 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18786, atomId = 2540, opReactId = 1752 rxnConditionsId= 1, smi = [OH2:1] target = 1, prediction = 0.634573487676, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6861, atomId = 3912, opReactId = 1917 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C target = 1, prediction = 0.658097554467, rank prediction = 1585 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.665348735645, rank prediction = 1589 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9442, atomId = 5366, opReactId = 2060 rxnConditionsId= 2, smi = CC[NH2+][CH:1](C)O target = 1, prediction = 0.667768683496, rank prediction = 1590 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15005, atomId = 9490, opReactId = 2533 rxnConditionsId= 3, smi = CC(C)C([CH2:1]C=C(C)C)Br target = 1, prediction = 0.685855583439, rank prediction = 1597 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1927, atomId = 3913, opReactId = 1917 rxnConditionsId= 3, smi = CC[C:1](=O)C target = 1, prediction = 0.69902418331, rank prediction = 1607 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13331, atomId = 8339, opReactId = 2361 rxnConditionsId= 1, smi = CC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.706022439259, rank prediction = 1610 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14972, atomId = 2200, opReactId = 1538 rxnConditionsId= 3, smi = CC(=O)CC[CH:1]=O target = 1, prediction = 0.709411704111, rank prediction = 1611 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7031, atomId = 6270, opReactId = 2181 rxnConditionsId= 3, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.710733031421, rank prediction = 1613 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13804, atomId = 10465, opReactId = 2677 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)O[C:1](=O)CCCCN target = 1, prediction = 0.716762752219, rank prediction = 1617 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9534, atomId = 10989, opReactId = 2736 rxnConditionsId= 1, smi = CCC1CC[CH2:1][C+](C1)C target = 1, prediction = 0.717781983049, rank prediction = 1619 isPredictedFilled = False, isPredictedUnfilled = True