Worst predictions : D4H20_un_e133_s2_lowestPos.txt

rAtomId = 15974, atomId = 9498, opReactId = 2534 rxnConditionsId= 1, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.0153165774869, rank prediction = 950 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 = 0.0224717316584, rank prediction = 1016 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6793, atomId = 15037, opReactId = 3137 rxnConditionsId= 1, smi = CC1([C:1](=O)CCC1=O)CCC(=CCCc2cccc(c2)OC)[O-] target = 1, prediction = 0.109116972881, rank prediction = 1277 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.152781059121, rank prediction = 1328 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11760, atomId = 7124, opReactId = 2270 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1ccc(cc1)I)(c2ccc(cc2)I)O target = 1, prediction = 0.291129390024, rank prediction = 1432 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11189, atomId = 7186, opReactId = 2294 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.329758490915, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7365, atomId = 11185, opReactId = 2761 rxnConditionsId= 1, smi = CC(C)[C:1](C)(CC=NC)Br target = 1, prediction = 0.394890653943, rank prediction = 1484 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6865, atomId = 13669, opReactId = 2995 rxnConditionsId= 1, smi = CC(=O)[NH2:1] target = 1, prediction = 0.400858521088, rank prediction = 1487 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6181, atomId = 7186, opReactId = 2294 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.43164261804, rank prediction = 1510 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7132, atomId = 11984, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)[C:1](=[OH+])OCc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.433804506814, rank prediction = 1512 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8461, atomId = 5683, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cccn[cH:1]1 target = 1, prediction = 0.461415703252, rank prediction = 1524 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16480, atomId = 14105, opReactId = 3053 rxnConditionsId= 1, smi = CCO[CH:1]=O target = 1, prediction = 0.503124183255, rank prediction = 1542 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8456, atomId = 5680, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cc[cH:1]nc1 target = 1, prediction = 0.510435123613, rank prediction = 1544 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13473, atomId = 7319, opReactId = 2309 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1cccc(c1)Br)(c2cccc(c2)Br)O target = 1, prediction = 0.529801342546, rank prediction = 1553 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12311, atomId = 9103, opReactId = 2504 rxnConditionsId= 3, smi = c1ccc(cc1)C(=O)CC[CH:1]=O target = 1, prediction = 0.604642241999, rank prediction = 1580 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13955, atomId = 14482, opReactId = 3090 rxnConditionsId= 1, smi = CC(C)C(=O)[CH:1](c1ccccc1)C(Cc2ccccc2)(C(C)C)O target = 1, prediction = 0.651468291237, rank prediction = 1591 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8729, atomId = 4402, opReactId = 1811 rxnConditionsId= 1, smi = C[C:1](C)(O)Br target = 1, prediction = 0.671205740899, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12740, atomId = 9481, opReactId = 2530 rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.698877304879, rank prediction = 1595 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11676, atomId = 1694, opReactId = 1559 rxnConditionsId= 1, smi = COC(=[OH+])C=[CH2:1] target = 1, prediction = 0.741719556987, rank prediction = 1603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8292, atomId = 12337, opReactId = 2892 rxnConditionsId= 1, smi = [NH3+:1]O target = 1, prediction = 0.74517768916, rank prediction = 1604 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11136, atomId = 3577, opReactId = 1851 rxnConditionsId= 1, smi = CCO[CH:1](CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.74659402169, rank prediction = 1605 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4517, atomId = 14194, opReactId = 3066 rxnConditionsId= 1, smi = CC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.74730339467, rank prediction = 1606 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1782, atomId = 5984, opReactId = 2156 rxnConditionsId= 1, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.761532756448, rank prediction = 1610 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11182, atomId = 7189, opReactId = 2294 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)CC(=O)O[C:1](=O)c2ccccc2 target = 1, prediction = 0.761805450661, rank prediction = 1611 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8639, atomId = 4998, opReactId = 2002 rxnConditionsId= 1, smi = C(C=O)O[CH:1](CO)[OH2+] target = 1, prediction = 0.767229946493, rank prediction = 1613 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6930, atomId = 5984, opReactId = 2156 rxnConditionsId= 3, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.792007478476, rank prediction = 1618 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6170, atomId = 7189, opReactId = 2294 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=O)CC(=O)O[C:1](=O)c2ccccc2 target = 1, prediction = 0.815174567242, rank prediction = 1624 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1809, atomId = 7921, opReactId = 2375 rxnConditionsId= 3, smi = c1ccc(cc1)[C:1](=O)CC#N target = 1, prediction = 0.82010905546, rank prediction = 1625 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5599, atomId = 11393, opReactId = 2775 rxnConditionsId= 6, smi = C1[CH:1](O1)CCCC[O-] target = 1, prediction = 0.823942261566, rank prediction = 1627 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8133, atomId = 1772, opReactId = 1579 rxnConditionsId= 1, smi = C[C:1](=[OH+])CCC(=C)O target = 1, prediction = 0.824390034833, rank prediction = 1628 isPredictedFilled = False, isPredictedUnfilled = True