Worst predictions : D4H20_fi_e125_s1_lowestPos.txt

rAtomId = 14095, atomId = 8077, opReactId = 2390 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)O target = 1, prediction = 0.0551250243958, rank prediction = 1405 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.055476557945, rank prediction = 1408 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10744, atomId = 8263, opReactId = 2401 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N target = 1, prediction = 0.108953136912, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9278, atomId = 12787, opReactId = 2921 rxnConditionsId= 2, smi = C[CH+][CH2:1]Oc1ccccc1 target = 1, prediction = 0.109289955863, rank prediction = 1477 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.154631019871, rank prediction = 1509 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9759, atomId = 4880, opReactId = 1658 rxnConditionsId= 1, smi = C[CH+][CH2:1]OC target = 1, prediction = 0.192300480128, rank prediction = 1533 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12102, atomId = 8522, opReactId = 2424 rxnConditionsId= 3, smi = C1=[CH:1]C(C=C[C-]1[N+](=O)[O-])(C#N)I target = 1, prediction = 0.270552813654, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2155, atomId = 4880, opReactId = 1658 rxnConditionsId= 2, smi = C[CH+][CH2:1]OC target = 1, prediction = 0.321548377925, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5593, atomId = 2942, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.345590642463, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5589, atomId = 2946, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.389972991405, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8088, atomId = 2942, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.438579824633, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.443719697817, rank prediction = 1620 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8085, atomId = 2946, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.471670263142, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4950, atomId = 3826, opReactId = 1905 rxnConditionsId= 1, smi = CCC#[N:1] target = 1, prediction = 0.513132562067, rank prediction = 1633 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14023, atomId = 3465, opReactId = 1870 rxnConditionsId= 1, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.573558669025, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10729, atomId = 3394, opReactId = 1736 rxnConditionsId= 1, smi = [CH2:1]=CC=C target = 1, prediction = 0.656720171779, rank prediction = 1663 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2462, atomId = 3826, opReactId = 1905 rxnConditionsId= 2, smi = CCC#[N:1] target = 1, prediction = 0.675339895657, rank prediction = 1665 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18040, atomId = 1830, opReactId = 1506 rxnConditionsId= 1, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.698889076563, rank prediction = 1669 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6478, atomId = 3465, opReactId = 1870 rxnConditionsId= 2, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.729306027506, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8009, atomId = 4015, opReactId = 1915 rxnConditionsId= 1, smi = COC(=O)C1CCC(=[O+]CC[OH:1])CC1 target = 1, prediction = 0.760631466014, rank prediction = 1676 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15044, atomId = 3091, opReactId = 1794 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1Br target = 1, prediction = 0.767788773931, rank prediction = 1678 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17704, atomId = 10809, opReactId = 2715 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC=C(C)C target = 1, prediction = 0.771531689583, rank prediction = 1680 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16892, atomId = 1830, opReactId = 1506 rxnConditionsId= 2, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.821850999105, rank prediction = 1691 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2165, atomId = 8415, opReactId = 2437 rxnConditionsId= 3, smi = [CH2:1]=CN1CCCCC1 target = 1, prediction = 0.822870311953, rank prediction = 1692 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.830848392684, rank prediction = 1696 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1664, atomId = 2687, opReactId = 1642 rxnConditionsId= 1, smi = CCOc1cc[cH:1]cc1Br target = 1, prediction = 0.836281372734, rank prediction = 1698 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.836835958817, rank prediction = 1699 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12809, atomId = 5518, opReactId = 2083 rxnConditionsId= 2, smi = C1CCC2(C1)CCC[CH:1]2[OH2+] target = 1, prediction = 0.845457404278, rank prediction = 1700 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4317, atomId = 3172, opReactId = 1695 rxnConditionsId= 1, smi = CC(=O)C[C:1](C)(C)[OH2+] target = 1, prediction = 0.845714302967, rank prediction = 1701 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17998, atomId = 11156, opReactId = 2759 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C target = 1, prediction = 0.861340770024, rank prediction = 1708 isPredictedFilled = True, isPredictedUnfilled = False