Worst predictions : D4H20_fi_e128_s6_lowestPos.txt

rAtomId = 18755, atomId = 8402, opReactId = 2417 rxnConditionsId= 3, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.0377190924522, rank prediction = 1258 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6032, atomId = 8402, opReactId = 2417 rxnConditionsId= 1, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.086433212239, rank prediction = 1362 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10842, atomId = 3154, opReactId = 1678 rxnConditionsId= 1, smi = C[C:1](=Cc1ccccc1)C target = 1, prediction = 0.218439912018, rank prediction = 1469 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12623, atomId = 2623, opReactId = 1748 rxnConditionsId= 1, smi = C[C:1](=CCC[C+](C)C)C target = 1, prediction = 0.24798440189, rank prediction = 1486 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1324, atomId = 12162, opReactId = 2862 rxnConditionsId= 2, smi = COc1[cH:1]cc(cc1)CBr target = 1, prediction = 0.329664943144, rank prediction = 1518 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9278, atomId = 12787, opReactId = 2921 rxnConditionsId= 2, smi = C[CH+][CH2:1]Oc1ccccc1 target = 1, prediction = 0.415961628509, rank prediction = 1543 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12593, atomId = 3895, opReactId = 1893 rxnConditionsId= 1, smi = C[CH+]CCCCc1[cH:1]cccc1 target = 1, prediction = 0.506652198594, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6095, atomId = 2540, opReactId = 1752 rxnConditionsId= 3, smi = [OH2:1] target = 1, prediction = 0.507790276636, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9177, atomId = 1907, opReactId = 1710 rxnConditionsId= 1, smi = CC=C[N:1](C)C target = 1, prediction = 0.5281792685, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1186, atomId = 2540, opReactId = 1752 rxnConditionsId= 8, smi = [OH2:1] target = 1, prediction = 0.547642776725, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18786, atomId = 2540, opReactId = 1752 rxnConditionsId= 1, smi = [OH2:1] target = 1, prediction = 0.566121107965, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16817, atomId = 4721, opReactId = 1981 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C=O target = 1, prediction = 0.585254429256, rank prediction = 1595 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 = 0.612558591285, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.636772994987, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3832, atomId = 2540, opReactId = 1752 rxnConditionsId= 2, smi = [OH2:1] target = 1, prediction = 0.637477267777, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10167, atomId = 3895, opReactId = 1893 rxnConditionsId= 2, smi = C[CH+]CCCCc1[cH:1]cccc1 target = 1, prediction = 0.671116520716, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4861, atomId = 4061, opReactId = 1914 rxnConditionsId= 1, smi = COC(=O)C1CCC(CC1)([OH2+])[O:1]CCO target = 1, prediction = 0.706022312996, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6902, atomId = 1121, opReactId = 1497 rxnConditionsId= 1, smi = CC[C:1](=C(C)CC)C target = 1, prediction = 0.7108239872, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11563, atomId = 8185, opReactId = 2396 rxnConditionsId= 3, smi = CC1CCCCC1(N2CCCC2)[OH:1] target = 1, prediction = 0.724705222807, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13052, atomId = 2564, opReactId = 1665 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCCC[OH:1] target = 1, prediction = 0.752473247995, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5274, atomId = 2507, opReactId = 1622 rxnConditionsId= 1, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.760059932122, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4005, atomId = 4411, opReactId = 1842 rxnConditionsId= 1, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.765951597937, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17917, atomId = 7151, opReactId = 2274 rxnConditionsId= 3, smi = CC([CH:1]=C(c1ccc(cc1)I)[O-])(c2ccc(cc2)I)O target = 1, prediction = 0.768674131318, rank prediction = 1627 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14891, atomId = 1043, opReactId = 1553 rxnConditionsId= 1, smi = CC(=O)C[CH:1](c1ccccc1)[OH2+] target = 1, prediction = 0.787896625994, rank prediction = 1633 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4004, atomId = 4413, opReactId = 1842 rxnConditionsId= 1, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.78965304721, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10195, atomId = 4374, opReactId = 1933 rxnConditionsId= 1, smi = C=CC(=[O:1])O target = 1, prediction = 0.846741105426, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1752, atomId = 4934, opReactId = 1997 rxnConditionsId= 3, smi = CCNC(C)(C)[OH:1] target = 1, prediction = 0.846880475759, rank prediction = 1647 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15994, atomId = 3101, opReactId = 1684 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])Cl target = 1, prediction = 0.855882467422, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2144, atomId = 5483, opReactId = 2073 rxnConditionsId= 1, smi = CC[OH+]C(C)(C)[O:1]CC target = 1, prediction = 0.856729003053, rank prediction = 1653 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15261, atomId = 2507, opReactId = 1622 rxnConditionsId= 2, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.858581996711, rank prediction = 1655 isPredictedFilled = True, isPredictedUnfilled = False