Worst predictions : D4H0_fi_e131_s8_lowestPos.txt

rAtomId = 6742, atomId = 3914, opReactId = 1917 rxnConditionsId= 8, smi = CCC(=[O:1])C target = 1, prediction = 0.127621483323, rank prediction = 1234 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9278, atomId = 12787, opReactId = 2921 rxnConditionsId= 2, smi = C[CH+][CH2:1]Oc1ccccc1 target = 1, prediction = 0.163712756176, rank prediction = 1279 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9759, atomId = 4880, opReactId = 1658 rxnConditionsId= 1, smi = C[CH+][CH2:1]OC target = 1, prediction = 0.205085168123, rank prediction = 1321 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2155, atomId = 4880, opReactId = 1658 rxnConditionsId= 2, smi = C[CH+][CH2:1]OC target = 1, prediction = 0.263736685084, rank prediction = 1382 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17977, atomId = 15352, opReactId = 3169 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.300175170836, rank prediction = 1412 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12228, atomId = 9181, opReactId = 2511 rxnConditionsId= 3, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.311789590585, rank prediction = 1422 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6910, atomId = 9181, opReactId = 2511 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.450030906153, rank prediction = 1527 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17485, atomId = 2061, opReactId = 1717 rxnConditionsId= 1, smi = c1c[cH:1]c(cc1)CBr target = 1, prediction = 0.480106788133, rank prediction = 1549 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13791, atomId = 10474, opReactId = 2677 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC[NH2:1] target = 1, prediction = 0.50572169985, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17472, atomId = 2056, opReactId = 1717 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)CBr target = 1, prediction = 0.517581598418, rank prediction = 1572 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5350, atomId = 3622, opReactId = 1693 rxnConditionsId= 1, smi = C([CH:1]=CO)Br target = 1, prediction = 0.518953259338, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1324, atomId = 12162, opReactId = 2862 rxnConditionsId= 2, smi = COc1[cH:1]cc(cc1)CBr target = 1, prediction = 0.523871025213, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14023, atomId = 3465, opReactId = 1870 rxnConditionsId= 1, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.526639923032, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14834, atomId = 2061, opReactId = 1717 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CBr target = 1, prediction = 0.561821577912, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2388, atomId = 8813, opReactId = 2468 rxnConditionsId= 1, smi = CC(C)[CH:1](C)Br target = 1, prediction = 0.59066146857, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14826, atomId = 2056, opReactId = 1717 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CBr target = 1, prediction = 0.598334044268, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6478, atomId = 3465, opReactId = 1870 rxnConditionsId= 2, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.607027320858, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.607107730969, rank prediction = 1605 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16642, atomId = 3935, opReactId = 1901 rxnConditionsId= 1, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.618829760078, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18429, atomId = 5413, opReactId = 2080 rxnConditionsId= 7, smi = C=C([O-:1])Cl target = 1, prediction = 0.658787441764, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7964, atomId = 2707, opReactId = 1770 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC[C+](C)C)C target = 1, prediction = 0.681793898499, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2674, atomId = 3123, opReactId = 1800 rxnConditionsId= 1, smi = CC(=[CH2:1])Br target = 1, prediction = 0.682722211605, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10195, atomId = 4374, opReactId = 1933 rxnConditionsId= 1, smi = C=CC(=[O:1])O target = 1, prediction = 0.686928063429, rank prediction = 1636 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14202, atomId = 3935, opReactId = 1901 rxnConditionsId= 2, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.692696719398, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2944, atomId = 1565, opReactId = 1498 rxnConditionsId= 1, smi = CC(=[CH:1]CCC=C(C)C)C target = 1, prediction = 0.706851041758, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.707637848679, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17960, atomId = 3147, opReactId = 1680 rxnConditionsId= 1, smi = CC=[CH2:1] target = 1, prediction = 0.721154343116, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2846, atomId = 1444, opReactId = 1489 rxnConditionsId= 1, smi = CCC(=[CH:1]C)C target = 1, prediction = 0.751155184528, rank prediction = 1651 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13047, atomId = 1911, opReactId = 1517 rxnConditionsId= 1, smi = C1[CH:1]=CCC=C1 target = 1, prediction = 0.754816889158, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5641, atomId = 2605, opReactId = 1650 rxnConditionsId= 1, smi = COc1cc[cH:1]c2c1cccc2 target = 1, prediction = 0.755977694499, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False