Worst predictions : D4H20_fi_e132_s6_lowestPos.txt

rAtomId = 10842, atomId = 3154, opReactId = 1678 rxnConditionsId= 1, smi = C[C:1](=Cc1ccccc1)C target = 1, prediction = 0.472483121943, rank prediction = 1488 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11607, atomId = 15020, opReactId = 3152 rxnConditionsId= 1, smi = C1=[CH:1]C(C=C[C-]1[N+](=O)[O-])(O)I target = 1, prediction = 0.486108255308, rank prediction = 1493 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.578588138936, rank prediction = 1515 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2039, atomId = 1534, opReactId = 1491 rxnConditionsId= 1, smi = [CH2:1]=CCBr target = 1, prediction = 0.597814500491, rank prediction = 1522 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2907, atomId = 1608, opReactId = 1690 rxnConditionsId= 1, smi = C=CC=[O:1] target = 1, prediction = 0.618573017444, rank prediction = 1526 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2674, atomId = 3123, opReactId = 1800 rxnConditionsId= 1, smi = CC(=[CH2:1])Br target = 1, prediction = 0.676692495889, rank prediction = 1536 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.700122596591, rank prediction = 1544 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.70543363744, rank prediction = 1545 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13067, atomId = 6320, opReactId = 2185 rxnConditionsId= 3, smi = CCOC(=O)CC(C)([NH:1]C)[OH2+] target = 1, prediction = 0.739831363097, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13428, atomId = 5266, opReactId = 2045 rxnConditionsId= 1, smi = CNC=[CH:1]CO target = 1, prediction = 0.753399962418, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11658, atomId = 5378, opReactId = 2066 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)([OH:1])[OH+]CCO)O target = 1, prediction = 0.755746483614, rank prediction = 1552 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.783133766934, rank prediction = 1559 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6176, atomId = 13115, opReactId = 2951 rxnConditionsId= 2, smi = CC[OH+]C(C(Cc1ccccc1)(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.79134719046, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.803030458038, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2601, atomId = 2006, opReactId = 1720 rxnConditionsId= 1, smi = [cH:1]1ccccc1 target = 1, prediction = 0.830053113676, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.830373617115, rank prediction = 1570 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16274, atomId = 5767, opReactId = 2118 rxnConditionsId= 1, smi = CC(=O)OC(C=C)([OH:1])O target = 1, prediction = 0.837020856105, rank prediction = 1572 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.839721909976, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8644, atomId = 4996, opReactId = 2002 rxnConditionsId= 1, smi = C(C=O)[O:1]C(CO)[OH2+] target = 1, prediction = 0.846529449077, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6983, atomId = 5056, opReactId = 2037 rxnConditionsId= 2, smi = CC=[CH:1][CH+]C target = 1, prediction = 0.851120384857, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7263, atomId = 1843, opReactId = 1581 rxnConditionsId= 1, smi = C[C:1]1(CCC(=O)C1)[OH2+] target = 1, prediction = 0.871014971439, rank prediction = 1584 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5933, atomId = 5505, opReactId = 2078 rxnConditionsId= 2, smi = C[CH:1](C=C)[OH2+] target = 1, prediction = 0.883785004664, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4321, atomId = 1489, opReactId = 1531 rxnConditionsId= 1, smi = C1C([OH+]1)CCC[OH:1] target = 1, prediction = 0.894109353915, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2658, atomId = 11543, opReactId = 2805 rxnConditionsId= 3, smi = CC(=N[OH:1])C target = 1, prediction = 0.897956264405, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5090, atomId = 2006, opReactId = 1720 rxnConditionsId= 2, smi = [cH:1]1ccccc1 target = 1, prediction = 0.899419845414, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3628, atomId = 4549, opReactId = 1814 rxnConditionsId= 1, smi = CCNC(CCC(=O)OC(=O)C)([OH:1])Cl target = 1, prediction = 0.90190034402, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15413, atomId = 4295, opReactId = 1896 rxnConditionsId= 1, smi = C(CC=[OH+])C[OH:1] target = 1, prediction = 0.905418863669, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5447, atomId = 3393, opReactId = 1730 rxnConditionsId= 1, smi = CCOC(CCC(=O)NC)([OH:1])[OH+]C target = 1, prediction = 0.905994649094, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17679, atomId = 3618, opReactId = 1834 rxnConditionsId= 1, smi = C1C(O1)CC[OH:1] target = 1, prediction = 0.907295375276, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10350, atomId = 3372, opReactId = 1853 rxnConditionsId= 1, smi = CC[OH+]C(CC(=O)OCC)([OH:1])O target = 1, prediction = 0.91058515994, rank prediction = 1615 isPredictedFilled = True, isPredictedUnfilled = False