Worst predictions : D4H10_fi_e133_s8_lowestPos.txt

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.0842675088744, rank prediction = 1341 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5350, atomId = 3622, opReactId = 1693 rxnConditionsId= 1, smi = C([CH:1]=CO)Br target = 1, prediction = 0.503701171627, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16253, atomId = 8635, opReactId = 2445 rxnConditionsId= 6, smi = c1cc([c-:1]nc1)N target = 1, prediction = 0.515530403171, rank prediction = 1552 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4636, atomId = 4630, opReactId = 1985 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C=O target = 1, prediction = 0.577619658809, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12210, atomId = 4256, opReactId = 1929 rxnConditionsId= 1, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.591827593988, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14520, atomId = 13190, opReactId = 2949 rxnConditionsId= 2, smi = CCOC(=O)C(Cc1ccccc1)(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.600467635118, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12823, atomId = 13587, opReactId = 2968 rxnConditionsId= 2, smi = [CH2:1]=CCCCc1ccccc1 target = 1, prediction = 0.623687718141, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.631935909447, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.642659381408, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9599, atomId = 4256, opReactId = 1929 rxnConditionsId= 2, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.711341303416, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4861, atomId = 4061, opReactId = 1914 rxnConditionsId= 1, smi = COC(=O)C1CCC(CC1)([OH2+])[O:1]CCO target = 1, prediction = 0.724968477666, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10542, atomId = 12168, opReactId = 2848 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2Br target = 1, prediction = 0.729820799208, rank prediction = 1615 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17977, atomId = 15352, opReactId = 3169 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.762590721399, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15044, atomId = 3091, opReactId = 1794 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1Br target = 1, prediction = 0.76850049567, rank prediction = 1624 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4005, atomId = 4411, opReactId = 1842 rxnConditionsId= 1, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.79466649394, rank prediction = 1630 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4004, atomId = 4413, opReactId = 1842 rxnConditionsId= 1, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.799404043778, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16091, atomId = 7110, opReactId = 2269 rxnConditionsId= 3, smi = CC(CC(=O)c1ccc(cc1)I)(c2ccc(cc2)I)[O-:1] target = 1, prediction = 0.81123714465, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17960, atomId = 3147, opReactId = 1680 rxnConditionsId= 1, smi = CC=[CH2:1] target = 1, prediction = 0.822575579727, rank prediction = 1636 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9018, atomId = 3151, opReactId = 1768 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC=C(C)C)C target = 1, prediction = 0.822982490754, rank prediction = 1637 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7475, atomId = 3091, opReactId = 1794 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1Br target = 1, prediction = 0.850644286809, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17176, atomId = 2309, opReactId = 1747 rxnConditionsId= 1, smi = CC[NH:1]C(C)(CCC(=O)OCC)[OH2+] target = 1, prediction = 0.853356175242, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18688, atomId = 2563, opReactId = 1774 rxnConditionsId= 3, smi = CC[NH:1]C(C)[OH2+] target = 1, prediction = 0.862758015567, rank prediction = 1647 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10141, atomId = 2901, opReactId = 1782 rxnConditionsId= 1, smi = CC(C)([OH2+])[O:1]CCO target = 1, prediction = 0.865816021565, rank prediction = 1649 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10195, atomId = 4374, opReactId = 1933 rxnConditionsId= 1, smi = C=CC(=[O:1])O target = 1, prediction = 0.868227134858, rank prediction = 1650 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14029, atomId = 4411, opReactId = 1842 rxnConditionsId= 2, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.868519598766, rank prediction = 1651 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14028, atomId = 4413, opReactId = 1842 rxnConditionsId= 2, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.871919069028, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9494, atomId = 3873, opReactId = 1892 rxnConditionsId= 1, smi = C1C([OH+]1)CCCC[OH:1] target = 1, prediction = 0.878047827353, rank prediction = 1657 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11433, atomId = 5930, opReactId = 2146 rxnConditionsId= 3, smi = [Li][c:1]1ccccc1 target = 1, prediction = 0.883380775771, rank prediction = 1659 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1465, atomId = 4891, opReactId = 1605 rxnConditionsId= 1, smi = c1[cH:1]cc(c(c1)O)Br target = 1, prediction = 0.883593093336, rank prediction = 1660 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3925, atomId = 9136, opReactId = 2488 rxnConditionsId= 3, smi = CC(=O)CCC=C=[N-:1] target = 1, prediction = 0.884231901939, rank prediction = 1661 isPredictedFilled = True, isPredictedUnfilled = False