Worst predictions : D4H20_un_e129_s7_lowestPos.txt

rAtomId = 11318, atomId = 7457, opReactId = 2306 rxnConditionsId= 3, smi = CCN(CC)[C:1](=O)C target = 1, prediction = 0.127307952857, rank prediction = 1279 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17761, atomId = 12077, opReactId = 2839 rxnConditionsId= 1, smi = C(=O)(C(F)(F)F)[OH:1] target = 1, prediction = 0.37787679985, rank prediction = 1431 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.403982576896, rank prediction = 1446 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099 rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC target = 1, prediction = 0.444279404381, rank prediction = 1464 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.45053617039, rank prediction = 1466 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8012, atomId = 1969, opReactId = 1523 rxnConditionsId= 2, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.457179459486, rank prediction = 1471 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2241, atomId = 14709, opReactId = 3110 rxnConditionsId= 1, smi = c1ccc(cc1)C(=O)[OH:1] target = 1, prediction = 0.485695682929, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10437, atomId = 14808, opReactId = 3117 rxnConditionsId= 1, smi = C1C[CH:1]=CC(=O)C1 target = 1, prediction = 0.529865987703, rank prediction = 1498 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14152, atomId = 7852, opReactId = 2356 rxnConditionsId= 6, smi = CC1([CH2:1]CCC1Br)Br target = 1, prediction = 0.575308600421, rank prediction = 1520 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099 rxnConditionsId= 1, smi = CC[C:1](=O)OCC target = 1, prediction = 0.599742474262, rank prediction = 1525 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6500, atomId = 7043, opReactId = 2279 rxnConditionsId= 1, smi = C[C:1](=O)OC target = 1, prediction = 0.616718057657, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12694, atomId = 5758, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=C[C:1]#C1 target = 1, prediction = 0.618840284068, rank prediction = 1531 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18152, atomId = 1969, opReactId = 1523 rxnConditionsId= 1, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.62352383453, rank prediction = 1533 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.625033236621, rank prediction = 1534 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16737, atomId = 7460, opReactId = 2306 rxnConditionsId= 1, smi = CCN(CC)C(=O)[CH3:1] target = 1, prediction = 0.655582884326, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12699, atomId = 5759, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=CC#[C:1]1 target = 1, prediction = 0.702272701431, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11428, atomId = 5772, opReactId = 2137 rxnConditionsId= 3, smi = C[CH2:1]CBr target = 1, prediction = 0.706931346965, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5508, atomId = 11668, opReactId = 2830 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH2+:1]C([O-])(OCC2c3ccccc3-c4c2cccc4)ON5C(=O)CCC5=O target = 1, prediction = 0.715501617533, rank prediction = 1565 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 = 0.72656374519, rank prediction = 1570 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11462, atomId = 7043, opReactId = 2279 rxnConditionsId= 3, smi = C[C:1](=O)OC target = 1, prediction = 0.733277972055, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16566, atomId = 7856, opReactId = 2356 rxnConditionsId= 7, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.733543101878, rank prediction = 1574 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14562, atomId = 1664, opReactId = 1562 rxnConditionsId= 1, smi = CC=CC1[CH:1]([Br+]1)C target = 1, prediction = 0.740332215679, rank prediction = 1576 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1272, atomId = 7042, opReactId = 2279 rxnConditionsId= 7, smi = [CH3:1]C(=O)OC target = 1, prediction = 0.742590594457, rank prediction = 1577 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11322, atomId = 7460, opReactId = 2306 rxnConditionsId= 3, smi = CCN(CC)C(=O)[CH3:1] target = 1, prediction = 0.759015634728, rank prediction = 1580 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3642, atomId = 10921, opReactId = 2723 rxnConditionsId= 1, smi = CC[CH2:1]C=[N+]1CCCCC1 target = 1, prediction = 0.766342251289, rank prediction = 1582 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10554, atomId = 12487, opReactId = 2896 rxnConditionsId= 1, smi = CC(=[NH+:1]O)C target = 1, prediction = 0.788182484639, rank prediction = 1589 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8901, atomId = 9863, opReactId = 2584 rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)C target = 1, prediction = 0.788509372162, rank prediction = 1590 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9044, atomId = 14400, opReactId = 3075 rxnConditionsId= 1, smi = CC[CH:1]=O target = 1, prediction = 0.793541589744, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16567, atomId = 7852, opReactId = 2356 rxnConditionsId= 7, smi = CC1([CH2:1]CCC1Br)Br target = 1, prediction = 0.8111698194, rank prediction = 1597 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3147, atomId = 11280, opReactId = 2768 rxnConditionsId= 6, smi = CC([CH2:1]Br)[O-] target = 1, prediction = 0.816255920645, rank prediction = 1598 isPredictedFilled = False, isPredictedUnfilled = True