Worst predictions : D4H20_un_e133_s4_lowestPos.txt

rAtomId = 11351, atomId = 1887, opReactId = 1570 rxnConditionsId= 2, smi = [Br:1]Br target = 1, prediction = 0.00589713999034, rank prediction = 790 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18697, atomId = 1887, opReactId = 1570 rxnConditionsId= 1, smi = [Br:1]Br target = 1, prediction = 0.0130030686386, rank prediction = 957 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13297, atomId = 1887, opReactId = 1570 rxnConditionsId= 8, smi = [Br:1]Br target = 1, prediction = 0.0144375113927, rank prediction = 978 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.0248290386633, rank prediction = 1079 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.283257838254, rank prediction = 1477 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2305, atomId = 8873, opReactId = 2474 rxnConditionsId= 3, smi = CCOC(=O)C[CH2:1]Cl target = 1, prediction = 0.284433033409, rank prediction = 1479 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12260, atomId = 1876, opReactId = 1704 rxnConditionsId= 1, smi = CCOC(=O)[CH3:1] target = 1, prediction = 0.32791240227, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17649, atomId = 1876, opReactId = 1704 rxnConditionsId= 3, smi = CCOC(=O)[CH3:1] target = 1, prediction = 0.427570792704, rank prediction = 1554 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15678, atomId = 11727, opReactId = 2833 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH2+:1]C([O-])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O target = 1, prediction = 0.451107496702, rank prediction = 1561 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.45656410624, rank prediction = 1565 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9372, atomId = 7105, opReactId = 2267 rxnConditionsId= 3, smi = C[C:1](=O)CCC(=O)c1ccccc1 target = 1, prediction = 0.478489480903, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134 rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.479130023882, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.498465117594, rank prediction = 1580 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18531, atomId = 3497, opReactId = 1869 rxnConditionsId= 1, smi = C[CH2:1][CH+]O target = 1, prediction = 0.541120524222, rank prediction = 1599 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13358, atomId = 6516, opReactId = 2216 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.546883839442, rank prediction = 1601 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10714, atomId = 13784, opReactId = 3012 rxnConditionsId= 1, smi = [CH3:1][N+](=O)[O-] target = 1, prediction = 0.566149703652, rank prediction = 1606 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 = 0.568104850217, rank prediction = 1607 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17585, atomId = 9817, opReactId = 2579 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccn1 target = 1, prediction = 0.573406898396, rank prediction = 1608 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1369, atomId = 5835, opReactId = 2134 rxnConditionsId= 3, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.584552941864, rank prediction = 1615 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17342, atomId = 11387, opReactId = 2789 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)CC(=O)[OH:1] target = 1, prediction = 0.590845517023, rank prediction = 1617 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13420, atomId = 1614, opReactId = 1480 rxnConditionsId= 1, smi = [BrH:1] target = 1, prediction = 0.595308342451, rank prediction = 1620 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14152, atomId = 7852, opReactId = 2356 rxnConditionsId= 6, smi = CC1([CH2:1]CCC1Br)Br target = 1, prediction = 0.601230850176, rank prediction = 1622 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12259, atomId = 1873, opReactId = 1704 rxnConditionsId= 1, smi = CCO[C:1](=O)C target = 1, prediction = 0.615980651256, rank prediction = 1627 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 = 0.635787782011, rank prediction = 1634 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17181, atomId = 6516, opReactId = 2216 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.66431255504, rank prediction = 1647 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11048, atomId = 6839, opReactId = 2226 rxnConditionsId= 3, smi = CN(C)C(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.703264823477, rank prediction = 1656 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3843, atomId = 14007, opReactId = 3038 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CO target = 1, prediction = 0.709743977338, rank prediction = 1659 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17647, atomId = 1873, opReactId = 1704 rxnConditionsId= 3, smi = CCO[C:1](=O)C target = 1, prediction = 0.724262024212, rank prediction = 1666 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15525, atomId = 14974, opReactId = 3132 rxnConditionsId= 1, smi = COc1cccc(c1)CCCC(=O)C=[CH2:1] target = 1, prediction = 0.731385224224, rank prediction = 1672 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1865, atomId = 8406, opReactId = 2418 rxnConditionsId= 1, smi = CC=C[CH2:1]Cl target = 1, prediction = 0.736036438233, rank prediction = 1676 isPredictedFilled = False, isPredictedUnfilled = True