Worst predictions : D4H10_un_e133_s5_lowestPos.txt

rAtomId = 14511, atomId = 5743, opReactId = 2110 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br target = 1, prediction = 0.0079891914731, rank prediction = 768 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.121723114044, rank prediction = 1249 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.186098684564, rank prediction = 1320 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11251, atomId = 13976, opReactId = 3040 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCC(=O)OCC target = 1, prediction = 0.219956499762, rank prediction = 1351 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6731, atomId = 6614, opReactId = 2242 rxnConditionsId= 1, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.253934217457, rank prediction = 1374 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.260614368391, rank prediction = 1380 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1633, atomId = 6614, opReactId = 2242 rxnConditionsId= 3, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.344910102603, rank prediction = 1415 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.399751128236, rank prediction = 1431 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12078, atomId = 15105, opReactId = 3139 rxnConditionsId= 1, smi = CC12CCC(=O)[CH:1](C1(CCC2=O)O)CCc3cccc(c3)OC target = 1, prediction = 0.469671595576, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.483184058393, rank prediction = 1455 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.533218929435, rank prediction = 1473 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14950, atomId = 7579, opReactId = 2323 rxnConditionsId= 3, smi = CC#C[C:1](=O)C target = 1, prediction = 0.548105890755, rank prediction = 1479 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.566621921506, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8742, atomId = 1321, opReactId = 1660 rxnConditionsId= 1, smi = C[CH2:1][CH+]OC target = 1, prediction = 0.589523122114, rank prediction = 1489 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3687, atomId = 14202, opReactId = 3059 rxnConditionsId= 1, smi = C[CH:1]1C(=O)CCC2(C1(CCCC2)O)C target = 1, prediction = 0.690627552628, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10458, atomId = 3344, opReactId = 1699 rxnConditionsId= 1, smi = CC1CCCC[C:1]1=O target = 1, prediction = 0.707419250233, rank prediction = 1522 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 = 0.724839693361, rank prediction = 1527 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1335, atomId = 13867, opReactId = 3019 rxnConditionsId= 1, smi = C1C[CH2:1]C(=O)C1 target = 1, prediction = 0.767765247155, rank prediction = 1537 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7695, atomId = 2015, opReactId = 1551 rxnConditionsId= 1, smi = CC(=C)[OH:1] target = 1, prediction = 0.770628140331, rank prediction = 1538 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5796, atomId = 9145, opReactId = 2506 rxnConditionsId= 1, smi = [CH3:1]C(=O)N(C)C target = 1, prediction = 0.777434663125, rank prediction = 1541 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10455, atomId = 3334, opReactId = 1699 rxnConditionsId= 1, smi = C[CH:1]1CCCCC1=O target = 1, prediction = 0.782716273786, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181 rxnConditionsId= 1, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.784867224535, rank prediction = 1544 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15801, atomId = 3344, opReactId = 1699 rxnConditionsId= 3, smi = CC1CCCC[C:1]1=O target = 1, prediction = 0.786081822825, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9689, atomId = 5912, opReactId = 2135 rxnConditionsId= 1, smi = CC1C[C:1]1=O target = 1, prediction = 0.798083806032, rank prediction = 1547 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17117, atomId = 6270, opReactId = 2181 rxnConditionsId= 6, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.806025272879, rank prediction = 1550 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9534, atomId = 10989, opReactId = 2736 rxnConditionsId= 1, smi = CCC1CC[CH2:1][C+](C1)C target = 1, prediction = 0.821017575307, rank prediction = 1555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18457, atomId = 9145, opReactId = 2506 rxnConditionsId= 3, smi = [CH3:1]C(=O)N(C)C target = 1, prediction = 0.829702239677, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16070, atomId = 8786, opReactId = 2466 rxnConditionsId= 3, smi = C(CO)[CH:1]=O target = 1, prediction = 0.83462935515, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7031, atomId = 6270, opReactId = 2181 rxnConditionsId= 3, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.837446278597, rank prediction = 1561 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6318, atomId = 5636, opReactId = 2094 rxnConditionsId= 6, smi = C1=C[CH:1]([N-]C=C1)N target = 1, prediction = 0.840128202337, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True