Worst predictions : D4H0_un_e130_s5_lowestPos.txt

rAtomId = 14511, atomId = 5743, opReactId = 2110 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br target = 1, prediction = 0.0299256210959, rank prediction = 658 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.0822431845921, rank prediction = 969 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.130913884937, rank prediction = 1118 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5340, atomId = 5896, opReactId = 2142 rxnConditionsId= 3, smi = c1ccc(cc1)[N+]#[N:1] target = 1, prediction = 0.306551004864, rank prediction = 1390 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.31701847111, rank prediction = 1402 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13593, atomId = 5512, opReactId = 2084 rxnConditionsId= 7, smi = [CH3:1]c1ccccn1 target = 1, prediction = 0.330993714039, rank prediction = 1410 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3154, atomId = 10789, opReactId = 2710 rxnConditionsId= 3, smi = C[CH2:1]C(CC)(C(C)C)[N+](C)(C)C target = 1, prediction = 0.380320973836, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.427719538161, rank prediction = 1479 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365 rxnConditionsId= 1, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.438713942673, rank prediction = 1490 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15812, atomId = 1353, opReactId = 1567 rxnConditionsId= 1, smi = [CH3:1]C(=O)C target = 1, prediction = 0.472196098373, rank prediction = 1515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9990, atomId = 13740, opReactId = 3005 rxnConditionsId= 1, smi = CCOC(=O)C=[CH2:1] target = 1, prediction = 0.488025912836, rank prediction = 1526 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.489604784022, rank prediction = 1530 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14152, atomId = 7852, opReactId = 2356 rxnConditionsId= 6, smi = CC1([CH2:1]CCC1Br)Br target = 1, prediction = 0.495346575067, rank prediction = 1534 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.510334256315, rank prediction = 1540 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1951, atomId = 2921, opReactId = 1633 rxnConditionsId= 1, smi = c1ccc(cc1)[C:1]2=C[Br+]2 target = 1, prediction = 0.518428057664, rank prediction = 1550 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365 rxnConditionsId= 3, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.52002594499, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.526874316292, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4949, atomId = 3824, opReactId = 1905 rxnConditionsId= 1, smi = C[CH2:1]C#N target = 1, prediction = 0.539217873197, rank prediction = 1569 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.551117025994, rank prediction = 1576 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4483, atomId = 6342, opReactId = 2187 rxnConditionsId= 3, smi = CCOC(=O)CC(=[NH+:1]C)C target = 1, prediction = 0.552555906885, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3310, atomId = 1353, opReactId = 1567 rxnConditionsId= 3, smi = [CH3:1]C(=O)C target = 1, prediction = 0.553593154277, rank prediction = 1580 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8419, atomId = 13679, opReactId = 3000 rxnConditionsId= 1, smi = CC([CH2:1]C=O)O target = 1, prediction = 0.575355552546, rank prediction = 1591 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6565, atomId = 2394, opReactId = 1537 rxnConditionsId= 1, smi = [CH2:1]=CC(=[OH+])O target = 1, prediction = 0.577419804608, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15817, atomId = 1355, opReactId = 1567 rxnConditionsId= 1, smi = C[C:1](=O)C target = 1, prediction = 0.579113863308, rank prediction = 1594 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15943, atomId = 6388, opReactId = 2198 rxnConditionsId= 1, smi = C1CC(=O)[CH2:1]C1O target = 1, prediction = 0.583931155303, rank prediction = 1599 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.598074032939, rank prediction = 1607 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17686, atomId = 3824, opReactId = 1905 rxnConditionsId= 3, smi = C[CH2:1]C#N target = 1, prediction = 0.618626887777, rank prediction = 1621 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16566, atomId = 7856, opReactId = 2356 rxnConditionsId= 7, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.630370858017, rank prediction = 1628 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12692, atomId = 5809, opReactId = 2132 rxnConditionsId= 3, smi = CC(=O)CC=[NH+:1]C target = 1, prediction = 0.642164380558, rank prediction = 1634 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1335, atomId = 13867, opReactId = 3019 rxnConditionsId= 1, smi = C1C[CH2:1]C(=O)C1 target = 1, prediction = 0.648804799938, rank prediction = 1638 isPredictedFilled = False, isPredictedUnfilled = True