Worst predictions : D4H20_un_e127_s2_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668
rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2
target = 1, prediction = 0.00821592410166, rank prediction = 922
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17016, atomId = 10739, opReactId = 2703
rxnConditionsId= 3, smi = C[CH:1]1CC=CC(C1[N+](C)(C)C)C
target = 1, prediction = 0.0964946286987, rank prediction = 1406
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6731, atomId = 6614, opReactId = 2242
rxnConditionsId= 1, smi = CC(=O)C(CC[O-])[C:1](=O)OC
target = 1, prediction = 0.099541151068, rank prediction = 1413
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14775, atomId = 5150, opReactId = 2040
rxnConditionsId= 2, smi = C1CC[C:1]2=[NH+]CCCC2C1
target = 1, prediction = 0.100488657032, rank prediction = 1416
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1633, atomId = 6614, opReactId = 2242
rxnConditionsId= 3, smi = CC(=O)C(CC[O-])[C:1](=O)OC
target = 1, prediction = 0.142588833326, rank prediction = 1450
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12035, atomId = 5150, opReactId = 2040
rxnConditionsId= 1, smi = C1CC[C:1]2=[NH+]CCCC2C1
target = 1, prediction = 0.194643458129, rank prediction = 1501
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8065, atomId = 8151, opReactId = 2398
rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Cl
target = 1, prediction = 0.200260897115, rank prediction = 1506
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10406, atomId = 7260, opReactId = 2287
rxnConditionsId= 1, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O
target = 1, prediction = 0.278815740503, rank prediction = 1564
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083
rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O
target = 1, prediction = 0.300600049833, rank prediction = 1576
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14656, atomId = 5578, opReactId = 2101
rxnConditionsId= 7, smi = [CH3:1]c1ccncc1
target = 1, prediction = 0.334074847727, rank prediction = 1596
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666
rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br
target = 1, prediction = 0.352556864483, rank prediction = 1605
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11859, atomId = 3669, opReactId = 1741
rxnConditionsId= 1, smi = CCOC(=O)CCC(=O)[CH3:1]
target = 1, prediction = 0.354073101825, rank prediction = 1606
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099
rxnConditionsId= 1, smi = CC[C:1](=O)OCC
target = 1, prediction = 0.367449019358, rank prediction = 1612
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15597, atomId = 7260, opReactId = 2287
rxnConditionsId= 3, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O
target = 1, prediction = 0.370294203613, rank prediction = 1613
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 = 0.371123344837, rank prediction = 1614
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17573, atomId = 6711, opReactId = 2224
rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=O)N(C)C
target = 1, prediction = 0.440093074433, rank prediction = 1650
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652
rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C
target = 1, prediction = 0.454130700384, rank prediction = 1655
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6676, atomId = 3669, opReactId = 1741
rxnConditionsId= 3, smi = CCOC(=O)CCC(=O)[CH3:1]
target = 1, prediction = 0.460305438435, rank prediction = 1660
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 = 0.468527046573, rank prediction = 1664
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13358, atomId = 6516, opReactId = 2216
rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=C)[O-]
target = 1, prediction = 0.48254971471, rank prediction = 1672
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11263, atomId = 11311, opReactId = 2778
rxnConditionsId= 1, smi = CC(C)(C#N)[OH:1]
target = 1, prediction = 0.484697069293, rank prediction = 1673
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11834, atomId = 3667, opReactId = 1741
rxnConditionsId= 1, smi = CCOC(=O)CC[C:1](=O)C
target = 1, prediction = 0.485835189729, rank prediction = 1675
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099
rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC
target = 1, prediction = 0.497965307186, rank prediction = 1679
isPredictedFilled = False, isPredictedUnfilled = True

CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH2+:1]C([O-])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O

rAtomId = 15678, atomId = 11727, opReactId = 2833
rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH2+:1]C([O-])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O
target = 1, prediction = 0.505000119633, rank prediction = 1681
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134
rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br
target = 1, prediction = 0.506794098153, rank prediction = 1682
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17031, atomId = 10743, opReactId = 2703
rxnConditionsId= 3, smi = CC1CC=C[CH:1](C1[N+](C)(C)C)C
target = 1, prediction = 0.536930011644, rank prediction = 1698
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4845, atomId = 6711, opReactId = 2224
rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)N(C)C
target = 1, prediction = 0.541509867873, rank prediction = 1701
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033
rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-]
target = 1, prediction = 0.54271831698, rank prediction = 1703
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6659, atomId = 3667, opReactId = 1741
rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)C
target = 1, prediction = 0.576693655133, rank prediction = 1714
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17181, atomId = 6516, opReactId = 2216
rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=C)[O-]
target = 1, prediction = 0.583368370235, rank prediction = 1715
isPredictedFilled = False, isPredictedUnfilled = True