Worst predictions : D4H10_fi_e129_s7_lowestPos.txt

rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.203276117978, rank prediction = 1427 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.247738569147, rank prediction = 1452 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4630, atomId = 10429, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:1] target = 1, prediction = 0.379056960546, rank prediction = 1513 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.45374651397, rank prediction = 1535 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.470758934996, rank prediction = 1540 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7404, atomId = 2462, opReactId = 1544 rxnConditionsId= 1, smi = C[CH:1]=Cc1ccccc1 target = 1, prediction = 0.500447995948, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7292, atomId = 12637, opReactId = 2912 rxnConditionsId= 2, smi = [CH2:1]=CCCCCc1ccccc1 target = 1, prediction = 0.540365662479, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14023, atomId = 3465, opReactId = 1870 rxnConditionsId= 1, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.55117095422, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2520, atomId = 2333, opReactId = 1603 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.588915351854, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12823, atomId = 13587, opReactId = 2968 rxnConditionsId= 2, smi = [CH2:1]=CCCCc1ccccc1 target = 1, prediction = 0.595468895568, rank prediction = 1584 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17579, atomId = 4706, opReactId = 1979 rxnConditionsId= 1, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.606686943611, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2863, atomId = 5548, opReactId = 2087 rxnConditionsId= 1, smi = C=CC([NH2:1])(O)O target = 1, prediction = 0.639325729901, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.6534928495, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6478, atomId = 3465, opReactId = 1870 rxnConditionsId= 2, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.679761031052, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.697588650192, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10132, atomId = 2333, opReactId = 1603 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.712732793573, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4861, atomId = 4061, opReactId = 1914 rxnConditionsId= 1, smi = COC(=O)C1CCC(CC1)([OH2+])[O:1]CCO target = 1, prediction = 0.722754132857, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7477, atomId = 4706, opReactId = 1979 rxnConditionsId= 2, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.726190999237, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1457, atomId = 3188, opReactId = 1802 rxnConditionsId= 1, smi = CC[N:1](CC)C(C=C)(O)O target = 1, prediction = 0.730554979785, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3824, atomId = 5870, opReactId = 2130 rxnConditionsId= 3, smi = CC(=O)CC([NH:1]C)[OH2+] target = 1, prediction = 0.742783553001, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17704, atomId = 10809, opReactId = 2715 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC=C(C)C target = 1, prediction = 0.764567845189, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10669, atomId = 2232, opReactId = 1619 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.771328479879, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1752, atomId = 4934, opReactId = 1997 rxnConditionsId= 3, smi = CCNC(C)(C)[OH:1] target = 1, prediction = 0.824665850381, rank prediction = 1644 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7746, atomId = 3234, opReactId = 1689 rxnConditionsId= 1, smi = CC(=O)CCC=[O+]CC[OH:1] target = 1, prediction = 0.842340685508, rank prediction = 1647 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18363, atomId = 2232, opReactId = 1619 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.849768316021, rank prediction = 1649 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10673, atomId = 2249, opReactId = 1619 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)[N+](=O)[O-] target = 1, prediction = 0.857126352331, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9494, atomId = 3873, opReactId = 1892 rxnConditionsId= 1, smi = C1C([OH+]1)CCCC[OH:1] target = 1, prediction = 0.863614676733, rank prediction = 1656 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6926, atomId = 4934, opReactId = 1997 rxnConditionsId= 1, smi = CCNC(C)(C)[OH:1] target = 1, prediction = 0.874216685865, rank prediction = 1659 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4321, atomId = 1489, opReactId = 1531 rxnConditionsId= 1, smi = C1C([OH+]1)CCC[OH:1] target = 1, prediction = 0.874792333189, rank prediction = 1660 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1117, atomId = 4584, opReactId = 1839 rxnConditionsId= 1, smi = C[C+](C)CCC[OH:1] target = 1, prediction = 0.876663245662, rank prediction = 1662 isPredictedFilled = True, isPredictedUnfilled = False