Worst predictions : D4H20_fi_e129_s5_lowestPos.txt

rAtomId = 16817, atomId = 4721, opReactId = 1981 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C=O target = 1, prediction = 0.597102619495, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16642, atomId = 3935, opReactId = 1901 rxnConditionsId= 1, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.637691635741, rank prediction = 1490 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18040, atomId = 1830, opReactId = 1506 rxnConditionsId= 1, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.70509010682, rank prediction = 1506 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.742931179155, rank prediction = 1514 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1783, atomId = 5985, opReactId = 2156 rxnConditionsId= 1, smi = CC[CH:1](C)Br target = 1, prediction = 0.765705558169, rank prediction = 1517 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.770638604283, rank prediction = 1519 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14202, atomId = 3935, opReactId = 1901 rxnConditionsId= 2, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.773746166569, rank prediction = 1521 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4317, atomId = 3172, opReactId = 1695 rxnConditionsId= 1, smi = CC(=O)C[C:1](C)(C)[OH2+] target = 1, prediction = 0.773887112094, rank prediction = 1522 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.793947326722, rank prediction = 1530 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11433, atomId = 5930, opReactId = 2146 rxnConditionsId= 3, smi = [Li][c:1]1ccccc1 target = 1, prediction = 0.807788294973, rank prediction = 1536 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.808204185518, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16892, atomId = 1830, opReactId = 1506 rxnConditionsId= 2, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.822656422325, rank prediction = 1541 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.826362844693, rank prediction = 1543 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17199, atomId = 3637, opReactId = 1784 rxnConditionsId= 1, smi = C=CC([OH:1])(O)Cl target = 1, prediction = 0.842895448801, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7263, atomId = 1843, opReactId = 1581 rxnConditionsId= 1, smi = C[C:1]1(CCC(=O)C1)[OH2+] target = 1, prediction = 0.845741652624, rank prediction = 1548 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4199, atomId = 13808, opReactId = 3029 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=[NH:1])[O-] target = 1, prediction = 0.859548236151, 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 = 0.864548568717, rank prediction = 1560 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 = 0.865805570277, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2905, atomId = 5023, opReactId = 2014 rxnConditionsId= 2, smi = CC[C:1](C)(C)[OH2+] target = 1, prediction = 0.877695807436, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11414, atomId = 12318, opReactId = 2874 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2C#N target = 1, prediction = 0.886210688231, rank prediction = 1566 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3040, atomId = 4866, opReactId = 1841 rxnConditionsId= 3, smi = CC[NH:1]C(C)(C)[OH2+] target = 1, prediction = 0.887008310215, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17679, atomId = 3618, opReactId = 1834 rxnConditionsId= 1, smi = C1C(O1)CC[OH:1] target = 1, prediction = 0.891625307852, rank prediction = 1570 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7703, atomId = 3331, opReactId = 1733 rxnConditionsId= 1, smi = C1C[O:1]1 target = 1, prediction = 0.905081085398, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13564, atomId = 1606, opReactId = 1487 rxnConditionsId= 1, smi = CC1C[O:1]1 target = 1, prediction = 0.915486233747, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16982, atomId = 3569, opReactId = 1864 rxnConditionsId= 1, smi = C1CCC(CC1)([N:1]2CCCCC2)[OH2+] target = 1, prediction = 0.917637264173, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10210, atomId = 1922, opReactId = 1708 rxnConditionsId= 1, smi = CCN(CC)C(C)([OH:1])[OH+]CC target = 1, prediction = 0.919971338465, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16038, atomId = 2350, opReactId = 1749 rxnConditionsId= 1, smi = CC[OH+]C(CC#N)(NC)[OH:1] target = 1, prediction = 0.923608602235, 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 = 0.926006783746, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16741, atomId = 2026, opReactId = 1712 rxnConditionsId= 1, smi = CCC([NH+](C)C)[O:1]CC target = 1, prediction = 0.926140467194, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5292, atomId = 5129, opReactId = 2029 rxnConditionsId= 1, smi = CC[O:1]C(CC(=O)C)(O)O target = 1, prediction = 0.930243401276, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False