Worst predictions : D4H10_un_e128_s7_lowestPos.txt

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0778828954185, rank prediction = 1245 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17635, atomId = 11554, opReactId = 2808 rxnConditionsId= 3, smi = c1ccc2c(c1)-c3ccccc3C2CO[C:1](=O)ON4C(=O)CCC4=O target = 1, prediction = 0.106814959216, rank prediction = 1289 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17016, atomId = 10739, opReactId = 2703 rxnConditionsId= 3, smi = C[CH:1]1CC=CC(C1[N+](C)(C)C)C target = 1, prediction = 0.111946526582, rank prediction = 1294 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8379, atomId = 7840, opReactId = 2355 rxnConditionsId= 6, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.256416386698, rank prediction = 1428 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10406, atomId = 7260, opReactId = 2287 rxnConditionsId= 1, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.279660997902, rank prediction = 1446 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11189, atomId = 7186, opReactId = 2294 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.346789316529, rank prediction = 1482 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17645, atomId = 7901, opReactId = 2363 rxnConditionsId= 3, smi = [CH3:1]C(C)Cl target = 1, prediction = 0.34973082153, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15597, atomId = 7260, opReactId = 2287 rxnConditionsId= 3, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.381433822355, rank prediction = 1500 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10437, atomId = 14808, opReactId = 3117 rxnConditionsId= 1, smi = C1C[CH:1]=CC(=O)C1 target = 1, prediction = 0.423384179198, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6181, atomId = 7186, opReactId = 2294 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.438426304542, rank prediction = 1530 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4483, atomId = 6342, opReactId = 2187 rxnConditionsId= 3, smi = CCOC(=O)CC(=[NH+:1]C)C target = 1, prediction = 0.451917589539, rank prediction = 1537 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7709, atomId = 3329, opReactId = 1733 rxnConditionsId= 1, smi = [CH2:1]1CO1 target = 1, prediction = 0.485590165016, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12419, atomId = 14674, opReactId = 3113 rxnConditionsId= 1, smi = C[C:1](=O)CCCC=C(C)[O-] target = 1, prediction = 0.502020777714, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10346, atomId = 4305, opReactId = 1807 rxnConditionsId= 2, smi = CC[C:1]#[NH+] target = 1, prediction = 0.559613845307, rank prediction = 1587 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.568593086116, rank prediction = 1589 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2764, atomId = 3329, opReactId = 1733 rxnConditionsId= 3, smi = [CH2:1]1CO1 target = 1, prediction = 0.5874520156, rank prediction = 1593 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4271, atomId = 9508, opReactId = 2538 rxnConditionsId= 1, smi = C(C[CH2:1]C=O)CC[O-] target = 1, prediction = 0.590487425109, rank prediction = 1594 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6046, atomId = 7840, opReactId = 2355 rxnConditionsId= 7, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.599509169296, rank prediction = 1600 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13473, atomId = 7319, opReactId = 2309 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1cccc(c1)Br)(c2cccc(c2)Br)O target = 1, prediction = 0.62640225645, rank prediction = 1610 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.62858998965, rank prediction = 1612 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10789, atomId = 14281, opReactId = 3080 rxnConditionsId= 1, smi = CCC([CH:1](C)C=O)O target = 1, prediction = 0.676762316347, rank prediction = 1625 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9244, atomId = 8595, opReactId = 2433 rxnConditionsId= 1, smi = C[C:1](=O)C(C)(C)CC[O-] target = 1, prediction = 0.679519500077, rank prediction = 1626 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17031, atomId = 10743, opReactId = 2703 rxnConditionsId= 3, smi = CC1CC=C[CH:1](C1[N+](C)(C)C)C target = 1, prediction = 0.679909148332, rank prediction = 1627 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18418, atomId = 14931, opReactId = 3142 rxnConditionsId= 1, smi = CC(=O)O[CH:1]=O target = 1, prediction = 0.685999516618, rank prediction = 1630 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14850, atomId = 11149, opReactId = 2758 rxnConditionsId= 1, smi = CC(C)C(C[CH2:1][C+](C)C)Cl target = 1, prediction = 0.701542820369, rank prediction = 1637 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2772, atomId = 4305, opReactId = 1807 rxnConditionsId= 1, smi = CC[C:1]#[NH+] target = 1, prediction = 0.706921580518, rank prediction = 1638 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4046, atomId = 9811, opReactId = 2578 rxnConditionsId= 1, smi = C[CH2:1]C(=O)N(C)C target = 1, prediction = 0.720560441491, rank prediction = 1642 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.723984126817, rank prediction = 1646 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15716, atomId = 6721, opReactId = 2225 rxnConditionsId= 3, smi = [Li]O[C:1](CCC(=O)N(C)C)(c1ccccc1)OCC target = 1, prediction = 0.734197276294, rank prediction = 1649 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3873, atomId = 8595, opReactId = 2433 rxnConditionsId= 3, smi = C[C:1](=O)C(C)(C)CC[O-] target = 1, prediction = 0.744769497227, rank prediction = 1651 isPredictedFilled = False, isPredictedUnfilled = True