Worst predictions : D4H10_fi_e126_s1_lowestPos.txt

rAtomId = 16051, atomId = 10446, opReactId = 2673 rxnConditionsId= 3, smi = C(CC(=O)[OH:1])CN target = 1, prediction = 0.261966883123, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17473, atomId = 10929, opReactId = 2724 rxnConditionsId= 1, smi = C=C[CH:1](c1ccccc1)Br target = 1, prediction = 0.335933599308, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3385, atomId = 11779, opReactId = 2818 rxnConditionsId= 3, smi = CCC(=O)[OH:1] target = 1, prediction = 0.341674857, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8386, atomId = 5240, opReactId = 2036 rxnConditionsId= 2, smi = CC=C[CH:1](C)[OH2+] target = 1, prediction = 0.556162253718, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14023, atomId = 3465, opReactId = 1870 rxnConditionsId= 1, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.581000406087, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10729, atomId = 3394, opReactId = 1736 rxnConditionsId= 1, smi = [CH2:1]=CC=C target = 1, prediction = 0.59700641334, rank prediction = 1657 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6054, atomId = 4969, opReactId = 2011 rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+] target = 1, prediction = 0.604143249027, rank prediction = 1661 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2039, atomId = 1534, opReactId = 1491 rxnConditionsId= 1, smi = [CH2:1]=CCBr target = 1, prediction = 0.605971194606, rank prediction = 1662 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 = 0.622371880688, rank prediction = 1666 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6842, atomId = 1225, opReactId = 1655 rxnConditionsId= 1, smi = C[O:1]CC=C target = 1, prediction = 0.684779881381, rank prediction = 1683 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15813, atomId = 4608, opReactId = 1983 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.70400033694, rank prediction = 1687 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13667, atomId = 15371, opReactId = 3174 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC=CCO target = 1, prediction = 0.723984267314, rank prediction = 1690 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6478, atomId = 3465, opReactId = 1870 rxnConditionsId= 2, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.7269077902, rank prediction = 1691 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6709, atomId = 6060, opReactId = 2162 rxnConditionsId= 1, smi = CC[O:1]C(C=C)(O)O target = 1, prediction = 0.728122946766, rank prediction = 1692 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13671, atomId = 15368, opReactId = 3174 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC=CCO target = 1, prediction = 0.74688035053, rank prediction = 1693 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8903, atomId = 2453, opReactId = 1586 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.748856697581, rank prediction = 1694 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2388, atomId = 8813, opReactId = 2468 rxnConditionsId= 1, smi = CC(C)[CH:1](C)Br target = 1, prediction = 0.760414504495, rank prediction = 1699 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6837, atomId = 1228, opReactId = 1655 rxnConditionsId= 1, smi = COCC=[CH2:1] target = 1, prediction = 0.762131171869, rank prediction = 1700 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10542, atomId = 12168, opReactId = 2848 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2Br target = 1, prediction = 0.764843748513, rank prediction = 1701 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9931, atomId = 9909, opReactId = 2604 rxnConditionsId= 7, smi = CCOC(=[C:1](CCCCBr)C(=O)OCC)[O-] target = 1, prediction = 0.767517719444, rank prediction = 1702 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4861, atomId = 4061, opReactId = 1914 rxnConditionsId= 1, smi = COC(=O)C1CCC(CC1)([OH2+])[O:1]CCO target = 1, prediction = 0.77896306176, rank prediction = 1705 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16274, atomId = 5767, opReactId = 2118 rxnConditionsId= 1, smi = CC(=O)OC(C=C)([OH:1])O target = 1, prediction = 0.80970226572, rank prediction = 1713 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.812539162002, rank prediction = 1716 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9747, atomId = 4952, opReactId = 2000 rxnConditionsId= 1, smi = C(C=O)[OH:1] target = 1, prediction = 0.812731958677, rank prediction = 1717 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5698, atomId = 4608, opReactId = 1983 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.813912469018, rank prediction = 1718 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16369, atomId = 1101, opReactId = 1595 rxnConditionsId= 1, smi = C(C(C(C(C(C=[OH+])O)O)O)[OH:1])O target = 1, prediction = 0.820468545126, rank prediction = 1724 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15809, atomId = 4616, opReactId = 1983 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.821595116824, rank prediction = 1726 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11482, atomId = 12883, opReactId = 2933 rxnConditionsId= 2, smi = CCOC(=O)C(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.828738409331, rank prediction = 1728 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7839, atomId = 3493, opReactId = 1850 rxnConditionsId= 1, smi = CCOC(=O)CC(O)(O)[O:1]CC target = 1, prediction = 0.861010531747, rank prediction = 1736 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18446, atomId = 3686, opReactId = 1878 rxnConditionsId= 1, smi = C1C(O1)CCCCC[OH:1] target = 1, prediction = 0.866264806654, rank prediction = 1738 isPredictedFilled = True, isPredictedUnfilled = False