Worst predictions : D4H10_un_e127_s9_lowestPos.txt

rAtomId = 7608, atomId = 8167, opReactId = 2400 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1I target = 1, prediction = 0.00251110912907, rank prediction = 603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11351, atomId = 1887, opReactId = 1570 rxnConditionsId= 2, smi = [Br:1]Br target = 1, prediction = 0.00310453640182, rank prediction = 651 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14511, atomId = 5743, opReactId = 2110 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br target = 1, prediction = 0.00441694348465, rank prediction = 729 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18697, atomId = 1887, opReactId = 1570 rxnConditionsId= 1, smi = [Br:1]Br target = 1, prediction = 0.00708732367223, rank prediction = 802 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13297, atomId = 1887, opReactId = 1570 rxnConditionsId= 8, smi = [Br:1]Br target = 1, prediction = 0.0082097655775, rank prediction = 833 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0337242240385, rank prediction = 1047 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4973, atomId = 8565, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=CC#[C:1]1 target = 1, prediction = 0.142286802765, rank prediction = 1250 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12388, atomId = 8506, opReactId = 2443 rxnConditionsId= 6, smi = C1=CC#[C:1]N=C1 target = 1, prediction = 0.231217369637, rank prediction = 1338 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12390, atomId = 8505, opReactId = 2443 rxnConditionsId= 6, smi = C1=C[C:1]#CN=C1 target = 1, prediction = 0.298423062989, rank prediction = 1371 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3442, atomId = 10709, opReactId = 2700 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC target = 1, prediction = 0.305783897406, rank prediction = 1375 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3499, atomId = 15215, opReactId = 3158 rxnConditionsId= 3, smi = c1cc[nH+:1]cc1 target = 1, prediction = 0.337376567976, rank prediction = 1383 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13467, atomId = 9644, opReactId = 2552 rxnConditionsId= 8, smi = C[C:1]([OH2+])(O)O target = 1, prediction = 0.365464083409, rank prediction = 1398 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8012, atomId = 1969, opReactId = 1523 rxnConditionsId= 2, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.392374357653, rank prediction = 1411 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12178, atomId = 14108, opReactId = 3054 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CCC1(CCCCC1=O)C target = 1, prediction = 0.394494745876, rank prediction = 1413 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 = 0.417392091599, rank prediction = 1421 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7176, atomId = 13947, opReactId = 3032 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC(=O)C target = 1, prediction = 0.448364228541, rank prediction = 1433 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.451653733521, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.469456879547, rank prediction = 1441 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10730, atomId = 11097, opReactId = 2750 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=O)[NH:1]C2=O target = 1, prediction = 0.496583526864, rank prediction = 1451 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.507779161327, rank prediction = 1452 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 = 0.514467619764, rank prediction = 1454 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7226, atomId = 15320, opReactId = 3168 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC(=O)OC[CH:1]2c3ccccc3-c4c2cccc4 target = 1, prediction = 0.518697657884, rank prediction = 1457 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2444, atomId = 11423, opReactId = 2792 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=CC(=O)[OH:1])O target = 1, prediction = 0.52283941502, rank prediction = 1458 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4976, atomId = 8564, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=C[C:1]#C1 target = 1, prediction = 0.560822663704, rank prediction = 1470 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17585, atomId = 9817, opReactId = 2579 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccn1 target = 1, prediction = 0.56852516053, rank prediction = 1472 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18152, atomId = 1969, opReactId = 1523 rxnConditionsId= 1, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.572606424808, rank prediction = 1474 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16406, atomId = 9942, opReactId = 2593 rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC target = 1, prediction = 0.631991066937, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8292, atomId = 12337, opReactId = 2892 rxnConditionsId= 1, smi = [NH3+:1]O target = 1, prediction = 0.656953233972, rank prediction = 1496 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11048, atomId = 6839, opReactId = 2226 rxnConditionsId= 3, smi = CN(C)C(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.671614546755, rank prediction = 1500 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8419, atomId = 13679, opReactId = 3000 rxnConditionsId= 1, smi = CC([CH2:1]C=O)O target = 1, prediction = 0.6878783351, rank prediction = 1504 isPredictedFilled = False, isPredictedUnfilled = True