Worst predictions : D4H0_fi_e131_s5_lowestPos.txt

rAtomId = 16208, atomId = 2283, opReactId = 1533 rxnConditionsId= 3, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.116918095152, rank prediction = 1317 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3518, atomId = 2283, opReactId = 1533 rxnConditionsId= 1, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.20395056271, rank prediction = 1430 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15768, atomId = 11168, opReactId = 2756 rxnConditionsId= 1, smi = CC(C)[CH:1](CC(C(C)C)Cl)Cl target = 1, prediction = 0.352960995734, rank prediction = 1549 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1729, atomId = 1564, opReactId = 1500 rxnConditionsId= 1, smi = C[C:1](=CCCC[C+](C)C)C target = 1, prediction = 0.362913548149, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.391755111515, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17992, atomId = 5798, opReactId = 2114 rxnConditionsId= 6, smi = Cc1cccc([c-:1]1)N target = 1, prediction = 0.392235088613, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18572, atomId = 6076, opReactId = 2158 rxnConditionsId= 1, smi = C[CH:1](c1ccccc1)Br target = 1, prediction = 0.441820719594, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16213, atomId = 2277, opReactId = 1533 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.442417060666, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2520, atomId = 2333, opReactId = 1603 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.500189311335, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12413, atomId = 5353, opReactId = 2064 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)(O)[O:1]CCO)O target = 1, prediction = 0.532656734978, rank prediction = 1624 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.554833571906, rank prediction = 1630 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.577570187009, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.582889296904, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10132, atomId = 2333, opReactId = 1603 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.587106772756, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13671, atomId = 15368, opReactId = 3174 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC=CCO target = 1, prediction = 0.589428411233, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.594892996117, rank prediction = 1647 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3523, atomId = 2277, opReactId = 1533 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.60558765406, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13667, atomId = 15371, opReactId = 3174 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC=CCO target = 1, prediction = 0.606883289678, rank prediction = 1655 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4004, atomId = 4413, opReactId = 1842 rxnConditionsId= 1, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.607885372591, rank prediction = 1656 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.61506409625, rank prediction = 1659 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4153, atomId = 12083, opReactId = 2844 rxnConditionsId= 2, smi = COc1cc([cH:1]cc1Br)[N+](=O)[O-] target = 1, prediction = 0.615493041003, rank prediction = 1660 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4005, atomId = 4411, opReactId = 1842 rxnConditionsId= 1, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.626354815374, rank prediction = 1663 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4438, atomId = 2532, opReactId = 1615 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.639145476962, rank prediction = 1666 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4810, atomId = 4860, opReactId = 1840 rxnConditionsId= 1, smi = C[C:1]1(CCCC(=O)C1)[OH2+] target = 1, prediction = 0.659334221042, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5933, atomId = 5505, opReactId = 2078 rxnConditionsId= 2, smi = C[CH:1](C=C)[OH2+] target = 1, prediction = 0.677903085374, rank prediction = 1674 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18629, atomId = 2277, opReactId = 1533 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.685693651637, rank prediction = 1676 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14028, atomId = 4413, opReactId = 1842 rxnConditionsId= 2, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.687765309594, rank prediction = 1677 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7263, atomId = 1843, opReactId = 1581 rxnConditionsId= 1, smi = C[C:1]1(CCC(=O)C1)[OH2+] target = 1, prediction = 0.691819410613, rank prediction = 1679 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1362, atomId = 1494, opReactId = 1685 rxnConditionsId= 1, smi = CC(C)[CH:1](C)[OH2+] target = 1, prediction = 0.700526191077, rank prediction = 1681 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14029, atomId = 4411, opReactId = 1842 rxnConditionsId= 2, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.704302460432, rank prediction = 1684 isPredictedFilled = True, isPredictedUnfilled = False