Worst predictions : D4H10_fi_e130_s8_lowestPos.txt

rAtomId = 9776, atomId = 10303, opReactId = 2669 rxnConditionsId= 3, smi = C(CCN)CC(=O)[OH:1] target = 1, prediction = 0.262865514871, rank prediction = 1566 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10842, atomId = 3154, opReactId = 1678 rxnConditionsId= 1, smi = C[C:1](=Cc1ccccc1)C target = 1, prediction = 0.518492686521, rank prediction = 1656 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6434, atomId = 4504, opReactId = 1953 rxnConditionsId= 1, smi = CC#[N:1] target = 1, prediction = 0.548390583379, rank prediction = 1662 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12201, atomId = 5650, opReactId = 2113 rxnConditionsId= 6, smi = Cc1ccc[c-:1]c1N target = 1, prediction = 0.576625641135, rank prediction = 1666 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11551, atomId = 11745, opReactId = 2834 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)NC([O-:1])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O target = 1, prediction = 0.585759490464, rank prediction = 1669 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12823, atomId = 13587, opReactId = 2968 rxnConditionsId= 2, smi = [CH2:1]=CCCCc1ccccc1 target = 1, prediction = 0.634199343118, rank prediction = 1680 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13067, atomId = 6320, opReactId = 2185 rxnConditionsId= 3, smi = CCOC(=O)CC(C)([NH:1]C)[OH2+] target = 1, prediction = 0.652347390273, rank prediction = 1687 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10729, atomId = 3394, opReactId = 1736 rxnConditionsId= 1, smi = [CH2:1]=CC=C target = 1, prediction = 0.659810795657, rank prediction = 1688 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3994, atomId = 4504, opReactId = 1953 rxnConditionsId= 2, smi = CC#[N:1] target = 1, prediction = 0.672414056034, rank prediction = 1692 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18040, atomId = 1830, opReactId = 1506 rxnConditionsId= 1, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.67583171521, rank prediction = 1696 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13325, atomId = 3936, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.68149431195, rank prediction = 1698 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13330, atomId = 3940, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.682046165678, rank prediction = 1699 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15813, atomId = 4608, opReactId = 1983 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.684744973844, rank prediction = 1700 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3856, atomId = 2647, opReactId = 1762 rxnConditionsId= 1, smi = C=CC[OH:1] target = 1, prediction = 0.718911254343, rank prediction = 1708 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16015, atomId = 3927, opReactId = 1900 rxnConditionsId= 2, smi = [CH2:1]=CCc1ccccc1 target = 1, prediction = 0.724228365124, rank prediction = 1710 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2388, atomId = 8813, opReactId = 2468 rxnConditionsId= 1, smi = CC(C)[CH:1](C)Br target = 1, prediction = 0.741295612156, rank prediction = 1713 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4005, atomId = 4411, opReactId = 1842 rxnConditionsId= 1, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.754706513377, rank prediction = 1714 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4004, atomId = 4413, opReactId = 1842 rxnConditionsId= 1, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.755301522154, rank prediction = 1715 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.775313852102, rank prediction = 1717 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3850, atomId = 2644, opReactId = 1762 rxnConditionsId= 1, smi = [CH2:1]=CCO target = 1, prediction = 0.777421959832, rank prediction = 1719 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16892, atomId = 1830, opReactId = 1506 rxnConditionsId= 2, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.786347778035, rank prediction = 1722 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2601, atomId = 2006, opReactId = 1720 rxnConditionsId= 1, smi = [cH:1]1ccccc1 target = 1, prediction = 0.788736067784, rank prediction = 1725 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5698, atomId = 4608, opReactId = 1983 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.791017593114, rank prediction = 1727 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2136, atomId = 12193, opReactId = 2863 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2C(F)(F)F target = 1, prediction = 0.791018659838, rank prediction = 1728 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16009, atomId = 3940, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.791021409174, rank prediction = 1729 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.792886389789, rank prediction = 1731 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16007, atomId = 3936, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.793415449145, rank prediction = 1732 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15809, atomId = 4616, opReactId = 1983 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.803818638438, rank prediction = 1733 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1362, atomId = 1494, opReactId = 1685 rxnConditionsId= 1, smi = CC(C)[CH:1](C)[OH2+] target = 1, prediction = 0.809203380737, rank prediction = 1734 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6902, atomId = 1121, opReactId = 1497 rxnConditionsId= 1, smi = CC[C:1](=C(C)CC)C target = 1, prediction = 0.827746099764, rank prediction = 1736 isPredictedFilled = True, isPredictedUnfilled = False