Worst predictions : D4H10_un_e129_s1_lowestPos.txt

c1cc[c:1](c(c1)[N+](=O)[O-])F
rAtomId = 15974, atomId = 9498, opReactId = 2534
rxnConditionsId= 1, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F
target = 1, prediction = 0.0119060644325, rank prediction = 839
isPredictedFilled = False, isPredictedUnfilled = True
c1cc[c:1](c(c1)[N+](=O)[O-])F
rAtomId = 10805, atomId = 9498, opReactId = 2534
rxnConditionsId= 3, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F
target = 1, prediction = 0.0176142014882, rank prediction = 912
isPredictedFilled = False, isPredictedUnfilled = True
CCOC(=O)C[C:1](=O)C
rAtomId = 7936, atomId = 6169, opReactId = 2173
rxnConditionsId= 3, smi = CCOC(=O)C[C:1](=O)C
target = 1, prediction = 0.130751800889, rank prediction = 1269
isPredictedFilled = False, isPredictedUnfilled = True
c1ccc(cc1)[C:1](=O)Oc2ccccc2
rAtomId = 5112, atomId = 12134, opReactId = 2845
rxnConditionsId= 1, smi = c1ccc(cc1)[C:1](=O)Oc2ccccc2
target = 1, prediction = 0.145679588385, rank prediction = 1285
isPredictedFilled = False, isPredictedUnfilled = True
c1ccc(cc1)[N+]#[N:1]
rAtomId = 5340, atomId = 5896, opReactId = 2142
rxnConditionsId= 3, smi = c1ccc(cc1)[N+]#[N:1]
target = 1, prediction = 0.153774707754, rank prediction = 1301
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C=[OH+]
rAtomId = 10934, atomId = 1573, opReactId = 1471
rxnConditionsId= 8, smi = [CH3:1]C=[OH+]
target = 1, prediction = 0.172732180981, rank prediction = 1318
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C[N+](C)(C)CC
rAtomId = 3442, atomId = 10709, opReactId = 2700
rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC
target = 1, prediction = 0.238198073442, rank prediction = 1371
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C(C)Cl
rAtomId = 17645, atomId = 7901, opReactId = 2363
rxnConditionsId= 3, smi = [CH3:1]C(C)Cl
target = 1, prediction = 0.304726129956, rank prediction = 1412
isPredictedFilled = False, isPredictedUnfilled = True
CC=CC(C)([CH:1](C=C)C(=O)C)O
rAtomId = 10406, atomId = 7260, opReactId = 2287
rxnConditionsId= 1, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O
target = 1, prediction = 0.33561069228, rank prediction = 1424
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]c1ccncc1
rAtomId = 14656, atomId = 5578, opReactId = 2101
rxnConditionsId= 7, smi = [CH3:1]c1ccncc1
target = 1, prediction = 0.3993149329, rank prediction = 1450
isPredictedFilled = False, isPredictedUnfilled = True
c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2
rAtomId = 11189, atomId = 7186, opReactId = 2294
rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2
target = 1, prediction = 0.408918513317, rank prediction = 1453
isPredictedFilled = False, isPredictedUnfilled = True
C[CH:1](CBr)O
rAtomId = 18734, atomId = 11207, opReactId = 2766
rxnConditionsId= 1, smi = C[CH:1](CBr)O
target = 1, prediction = 0.409657889349, rank prediction = 1454
isPredictedFilled = False, isPredictedUnfilled = True
CCOC(=O)[CH3:1]
rAtomId = 12260, atomId = 1876, opReactId = 1704
rxnConditionsId= 1, smi = CCOC(=O)[CH3:1]
target = 1, prediction = 0.416228601288, rank prediction = 1458
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C(=O)CCC(=O)C
rAtomId = 7176, atomId = 13947, opReactId = 3032
rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC(=O)C
target = 1, prediction = 0.432075684515, rank prediction = 1462
isPredictedFilled = False, isPredictedUnfilled = True
C[CH:1](C)C(=O)C(C)(C)Br
rAtomId = 7782, atomId = 9887, opReactId = 2586
rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)(C)Br
target = 1, prediction = 0.433933897484, rank prediction = 1463
isPredictedFilled = False, isPredictedUnfilled = True
CC=CC(C)([CH:1](C=C)C(=O)C)O
rAtomId = 15597, atomId = 7260, opReactId = 2287
rxnConditionsId= 3, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O
target = 1, prediction = 0.438630333866, rank prediction = 1464
isPredictedFilled = False, isPredictedUnfilled = True
C[CH2:1][CH+]C
rAtomId = 7684, atomId = 10963, opReactId = 2731
rxnConditionsId= 1, smi = C[CH2:1][CH+]C
target = 1, prediction = 0.448724743341, rank prediction = 1466
isPredictedFilled = False, isPredictedUnfilled = True
C[C:1](=O)CCCC=C(C)[O-]
rAtomId = 12419, atomId = 14674, opReactId = 3113
rxnConditionsId= 1, smi = C[C:1](=O)CCCC=C(C)[O-]
target = 1, prediction = 0.462475817109, rank prediction = 1469
isPredictedFilled = False, isPredictedUnfilled = True
CC(C)(C#N)[OH:1]
rAtomId = 11263, atomId = 11311, opReactId = 2778
rxnConditionsId= 1, smi = CC(C)(C#N)[OH:1]
target = 1, prediction = 0.483641779642, rank prediction = 1479
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 = 0.490402661928, rank prediction = 1485
isPredictedFilled = False, isPredictedUnfilled = True
CCOC(=O)[CH3:1]
rAtomId = 17649, atomId = 1876, opReactId = 1704
rxnConditionsId= 3, smi = CCOC(=O)[CH3:1]
target = 1, prediction = 0.493373760048, rank prediction = 1488
isPredictedFilled = False, isPredictedUnfilled = True
c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2
rAtomId = 6181, atomId = 7186, opReactId = 2294
rxnConditionsId= 3, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2
target = 1, prediction = 0.511602271387, rank prediction = 1495
isPredictedFilled = False, isPredictedUnfilled = True
c1c[cH:1]ncc1
rAtomId = 15019, atomId = 5549, opReactId = 2092
rxnConditionsId= 6, smi = c1c[cH:1]ncc1
target = 1, prediction = 0.521197324492, rank prediction = 1500
isPredictedFilled = False, isPredictedUnfilled = True
C[C+](C)[CH2:1]O
rAtomId = 16365, atomId = 3056, opReactId = 1792
rxnConditionsId= 1, smi = C[C+](C)[CH2:1]O
target = 1, prediction = 0.538034820225, rank prediction = 1507
isPredictedFilled = False, isPredictedUnfilled = True
c1c[cH:1]ncc1
rAtomId = 10149, atomId = 5549, opReactId = 2092
rxnConditionsId= 3, smi = c1c[cH:1]ncc1
target = 1, prediction = 0.579361177603, rank prediction = 1514
isPredictedFilled = False, isPredictedUnfilled = True
CC([CH2:1]C(=O)c1cccc(c1)Br)(c2cccc(c2)Br)O
rAtomId = 13473, atomId = 7319, opReactId = 2309
rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1cccc(c1)Br)(c2cccc(c2)Br)O
target = 1, prediction = 0.597912215349, rank prediction = 1518
isPredictedFilled = False, isPredictedUnfilled = True
C=C[CH2:1][OH2+]
rAtomId = 7135, atomId = 2650, opReactId = 1763
rxnConditionsId= 1, smi = C=C[CH2:1][OH2+]
target = 1, prediction = 0.605544595095, rank prediction = 1521
isPredictedFilled = True, isPredictedUnfilled = True
CCO[C:1](CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-]
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 = 0.618901431861, rank prediction = 1526
isPredictedFilled = False, isPredictedUnfilled = True
CC=C[CH2:1][OH2+]
rAtomId = 6054, atomId = 4969, opReactId = 2011
rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+]
target = 1, prediction = 0.619797652563, rank prediction = 1527
isPredictedFilled = True, isPredictedUnfilled = True
CCC([CH:1](C)C=O)O
rAtomId = 10789, atomId = 14281, opReactId = 3080
rxnConditionsId= 1, smi = CCC([CH:1](C)C=O)O
target = 1, prediction = 0.623555731642, rank prediction = 1528
isPredictedFilled = False, isPredictedUnfilled = True