Worst predictions : D4H20_un_e134_s6_lowestPos.txt

rAtomId = 14511, atomId = 5743, opReactId = 2110
rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br
target = 1, prediction = 0.0100565167131, rank prediction = 815
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17684, atomId = 3825, opReactId = 1905
rxnConditionsId= 3, smi = CC[C:1]#N
target = 1, prediction = 0.0303250834994, rank prediction = 1012
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1860, atomId = 8658, opReactId = 2446
rxnConditionsId= 3, smi = [Li]C(C)[CH:1]=C
target = 1, prediction = 0.0477595505438, rank prediction = 1086
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 = 0.220650772624, rank prediction = 1333
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11859, atomId = 3669, opReactId = 1741
rxnConditionsId= 1, smi = CCOC(=O)CCC(=O)[CH3:1]
target = 1, prediction = 0.310646667603, rank prediction = 1396
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134
rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br
target = 1, prediction = 0.353963769383, rank prediction = 1422
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3476, atomId = 3328, opReactId = 1734
rxnConditionsId= 1, smi = [CH2:1]1C[OH+]1
target = 1, prediction = 0.370693056004, rank prediction = 1427
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103
rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC
target = 1, prediction = 0.397499342486, rank prediction = 1439
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6676, atomId = 3669, opReactId = 1741
rxnConditionsId= 3, smi = CCOC(=O)CCC(=O)[CH3:1]
target = 1, prediction = 0.412944492231, rank prediction = 1448
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18568, atomId = 6075, opReactId = 2158
rxnConditionsId= 1, smi = [CH3:1]C(c1ccccc1)Br
target = 1, prediction = 0.418730159171, rank prediction = 1451
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1369, atomId = 5835, opReactId = 2134
rxnConditionsId= 3, smi = C[CH:1](C(=C)[O-])Br
target = 1, prediction = 0.443204607047, rank prediction = 1459
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11834, atomId = 3667, opReactId = 1741
rxnConditionsId= 1, smi = CCOC(=O)CC[C:1](=O)C
target = 1, prediction = 0.472594716149, rank prediction = 1471
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 = 0.479096194426, rank prediction = 1475
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13450, atomId = 6075, opReactId = 2158
rxnConditionsId= 3, smi = [CH3:1]C(c1ccccc1)Br
target = 1, prediction = 0.497486023779, rank prediction = 1480
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365
rxnConditionsId= 1, smi = CCNC(=O)[CH3:1]
target = 1, prediction = 0.562750231335, rank prediction = 1505
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18531, atomId = 3497, opReactId = 1869
rxnConditionsId= 1, smi = C[CH2:1][CH+]O
target = 1, prediction = 0.571966707644, rank prediction = 1512
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1430, atomId = 14161, opReactId = 3056
rxnConditionsId= 1, smi = CC=C(CCC1(CCCC[C:1]1=O)C)[O-]
target = 1, prediction = 0.574594981908, rank prediction = 1516
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6659, atomId = 3667, opReactId = 1741
rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)C
target = 1, prediction = 0.586154298414, rank prediction = 1522
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181
rxnConditionsId= 1, smi = C([CH2:1]Br)[O-]
target = 1, prediction = 0.632031153622, rank prediction = 1538
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17117, atomId = 6270, opReactId = 2181
rxnConditionsId= 6, smi = C([CH2:1]Br)[O-]
target = 1, prediction = 0.641720457078, rank prediction = 1541
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885
rxnConditionsId= 2, smi = [FH:1]
target = 1, prediction = 0.659332834337, rank prediction = 1547
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365
rxnConditionsId= 3, smi = CCNC(=O)[CH3:1]
target = 1, prediction = 0.664995262327, rank prediction = 1548
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18668, atomId = 5952, opReactId = 2149
rxnConditionsId= 1, smi = C[CH2:1]C(CC)Br
target = 1, prediction = 0.668543833958, rank prediction = 1550
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6667, atomId = 3661, opReactId = 1741
rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)C
target = 1, prediction = 0.668609012014, rank prediction = 1551
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1126, atomId = 8366, opReactId = 2411
rxnConditionsId= 1, smi = CCO[C:1](CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-]
target = 1, prediction = 0.677700307568, rank prediction = 1554
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11664, atomId = 1814, opReactId = 1503
rxnConditionsId= 2, smi = C(CCO)CC=[OH+:1]
target = 1, prediction = 0.686025134225, rank prediction = 1556
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7031, atomId = 6270, opReactId = 2181
rxnConditionsId= 3, smi = C([CH2:1]Br)[O-]
target = 1, prediction = 0.687308297144, rank prediction = 1557
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3843, atomId = 14007, opReactId = 3038
rxnConditionsId= 1, smi = CC(=O)[CH2:1]CO
target = 1, prediction = 0.688859683959, rank prediction = 1558
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8606, atomId = 6377, opReactId = 2195
rxnConditionsId= 3, smi = [Li]O[C:1](c1ccccc1)(C2CCC3(CC2)OCCO3)OC
target = 1, prediction = 0.701469916861, rank prediction = 1562
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13654, atomId = 5952, opReactId = 2149
rxnConditionsId= 3, smi = C[CH2:1]C(CC)Br
target = 1, prediction = 0.719660146976, rank prediction = 1563
isPredictedFilled = False, isPredictedUnfilled = True