Worst predictions : D4H0_un_e132_s7_lowestPos.txt

rAtomId = 11351, atomId = 1887, opReactId = 1570 rxnConditionsId= 2, smi = [Br:1]Br target = 1, prediction = 0.0384761254401, rank prediction = 671 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18697, atomId = 1887, opReactId = 1570 rxnConditionsId= 1, smi = [Br:1]Br target = 1, prediction = 0.0601788239137, rank prediction = 827 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13297, atomId = 1887, opReactId = 1570 rxnConditionsId= 8, smi = [Br:1]Br target = 1, prediction = 0.0675323069214, rank prediction = 864 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.102591890088, rank prediction = 1002 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3442, atomId = 10709, opReactId = 2700 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC target = 1, prediction = 0.208229834362, rank prediction = 1228 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.221094648172, rank prediction = 1249 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9788, atomId = 2935, opReactId = 1664 rxnConditionsId= 1, smi = CCC=C[CH+][CH3:1] target = 1, prediction = 0.346603869971, rank prediction = 1374 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13593, atomId = 5512, opReactId = 2084 rxnConditionsId= 7, smi = [CH3:1]c1ccccn1 target = 1, prediction = 0.370882440279, rank prediction = 1397 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2457, atomId = 2189, opReactId = 1538 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.387550029538, rank prediction = 1408 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.409062477571, rank prediction = 1420 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5508, atomId = 11668, opReactId = 2830 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH2+:1]C([O-])(OCC2c3ccccc3-c4c2cccc4)ON5C(=O)CCC5=O target = 1, prediction = 0.461748004549, rank prediction = 1458 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.462878457566, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11796, atomId = 6122, opReactId = 2168 rxnConditionsId= 1, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.468037742733, rank prediction = 1463 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14975, atomId = 2189, opReactId = 1538 rxnConditionsId= 3, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.47796422337, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5167, atomId = 6602, opReactId = 2222 rxnConditionsId= 3, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.500394918359, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17015, atomId = 11515, opReactId = 2819 rxnConditionsId= 3, smi = C[CH:1]=NOC(=O)C target = 1, prediction = 0.510049794812, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.510949869836, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.517641155604, rank prediction = 1501 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.522133793481, rank prediction = 1505 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1430, atomId = 14161, opReactId = 3056 rxnConditionsId= 1, smi = CC=C(CCC1(CCCC[C:1]1=O)C)[O-] target = 1, prediction = 0.526042758206, rank prediction = 1508 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11676, atomId = 1694, opReactId = 1559 rxnConditionsId= 1, smi = COC(=[OH+])C=[CH2:1] target = 1, prediction = 0.545898297574, rank prediction = 1514 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134 rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.547208874789, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181 rxnConditionsId= 1, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.548726591491, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11212, atomId = 14592, opReactId = 3087 rxnConditionsId= 1, smi = C1CCC2([CH2:1]C(=O)CCC2C1)O target = 1, prediction = 0.55073697722, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10181, atomId = 14867, opReactId = 3126 rxnConditionsId= 1, smi = CC(=O)CCC(=O)[OH:1] target = 1, prediction = 0.5573368482, rank prediction = 1526 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17055, atomId = 6122, opReactId = 2168 rxnConditionsId= 3, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.560058250641, rank prediction = 1528 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9132, atomId = 9153, opReactId = 2507 rxnConditionsId= 1, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.565424589637, rank prediction = 1534 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3233, atomId = 7427, opReactId = 2299 rxnConditionsId= 1, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.569821009451, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12986, atomId = 6208, opReactId = 2179 rxnConditionsId= 1, smi = CN(C)C(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.577990074227, rank prediction = 1542 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1153, atomId = 1603, opReactId = 1487 rxnConditionsId= 3, smi = CC1[CH2:1]O1 target = 1, prediction = 0.584169396014, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True