Worst predictions : D4H10_fi_e129_s5_lowestPos.txt

rAtomId = 16817, atomId = 4721, opReactId = 1981 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C=O target = 1, prediction = 0.624023259591, rank prediction = 1486 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16642, atomId = 3935, opReactId = 1901 rxnConditionsId= 1, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.658389910277, rank prediction = 1503 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18040, atomId = 1830, opReactId = 1506 rxnConditionsId= 1, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.701242968708, rank prediction = 1509 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.728913376033, rank prediction = 1513 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1783, atomId = 5985, opReactId = 2156 rxnConditionsId= 1, smi = CC[CH:1](C)Br target = 1, prediction = 0.7456667324, rank prediction = 1517 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.758789110404, rank prediction = 1520 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4317, atomId = 3172, opReactId = 1695 rxnConditionsId= 1, smi = CC(=O)C[C:1](C)(C)[OH2+] target = 1, prediction = 0.764274670818, rank prediction = 1521 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.773929977284, rank prediction = 1523 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14202, atomId = 3935, opReactId = 1901 rxnConditionsId= 2, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.77557819782, rank prediction = 1525 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16892, atomId = 1830, opReactId = 1506 rxnConditionsId= 2, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.808150824061, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.808829744204, rank prediction = 1538 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.812361581653, rank prediction = 1539 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7263, atomId = 1843, opReactId = 1581 rxnConditionsId= 1, smi = C[C:1]1(CCC(=O)C1)[OH2+] target = 1, prediction = 0.831067764157, rank prediction = 1545 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17199, atomId = 3637, opReactId = 1784 rxnConditionsId= 1, smi = C=CC([OH:1])(O)Cl target = 1, prediction = 0.850597683689, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11433, atomId = 5930, opReactId = 2146 rxnConditionsId= 3, smi = [Li][c:1]1ccccc1 target = 1, prediction = 0.866742897715, rank prediction = 1556 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9650, atomId = 3725, opReactId = 1883 rxnConditionsId= 1, smi = CC1C([OH+]1)CCC[OH:1] target = 1, prediction = 0.87304189719, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2905, atomId = 5023, opReactId = 2014 rxnConditionsId= 2, smi = CC[C:1](C)(C)[OH2+] target = 1, prediction = 0.873495978546, rank prediction = 1559 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4199, atomId = 13808, opReactId = 3029 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=[NH:1])[O-] target = 1, prediction = 0.880040988452, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11414, atomId = 12318, opReactId = 2874 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2C#N target = 1, prediction = 0.88522542685, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6052, atomId = 1672, opReactId = 1576 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)[OH2+] target = 1, prediction = 0.885998840564, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3040, atomId = 4866, opReactId = 1841 rxnConditionsId= 3, smi = CC[NH:1]C(C)(C)[OH2+] target = 1, prediction = 0.889817955871, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17455, atomId = 8979, opReactId = 2480 rxnConditionsId= 3, smi = CC[N:1](CC)C(C)(C#CC)[OH2+] target = 1, prediction = 0.896714837818, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17679, atomId = 3618, opReactId = 1834 rxnConditionsId= 1, smi = C1C(O1)CC[OH:1] target = 1, prediction = 0.902030551396, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10210, atomId = 1922, opReactId = 1708 rxnConditionsId= 1, smi = CCN(CC)C(C)([OH:1])[OH+]CC target = 1, prediction = 0.906071108956, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16038, atomId = 2350, opReactId = 1749 rxnConditionsId= 1, smi = CC[OH+]C(CC#N)(NC)[OH:1] target = 1, prediction = 0.917245526768, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7703, atomId = 3331, opReactId = 1733 rxnConditionsId= 1, smi = C1C[O:1]1 target = 1, prediction = 0.924423538378, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8491, atomId = 1696, opReactId = 1558 rxnConditionsId= 1, smi = CC[NH2+]C(C)[NH:1]C target = 1, prediction = 0.924884483091, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17036, atomId = 15220, opReactId = 3159 rxnConditionsId= 3, smi = C1CCC(=[CH:1]C1)O target = 1, prediction = 0.924972071323, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16741, atomId = 2026, opReactId = 1712 rxnConditionsId= 1, smi = CCC([NH+](C)C)[O:1]CC target = 1, prediction = 0.928077597341, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13564, atomId = 1606, opReactId = 1487 rxnConditionsId= 1, smi = CC1C[O:1]1 target = 1, prediction = 0.929520139767, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False