Worst predictions : D4H20_un_e129_s2_lowestPos.txt

rAtomId = 11351, atomId = 1887, opReactId = 1570 rxnConditionsId= 2, smi = [Br:1]Br target = 1, prediction = 0.00320721024119, rank prediction = 556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18697, atomId = 1887, opReactId = 1570 rxnConditionsId= 1, smi = [Br:1]Br target = 1, prediction = 0.00753743380857, rank prediction = 735 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13297, atomId = 1887, opReactId = 1570 rxnConditionsId= 8, smi = [Br:1]Br target = 1, prediction = 0.00900162323653, rank prediction = 768 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18726, atomId = 12579, opReactId = 2923 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C(=O)OCC)NC(=O)C target = 1, prediction = 0.108895876107, rank prediction = 1217 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 = 0.114707486073, rank prediction = 1227 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.28754409162, rank prediction = 1378 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.288663870633, rank prediction = 1380 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12078, atomId = 15105, opReactId = 3139 rxnConditionsId= 1, smi = CC12CCC(=O)[CH:1](C1(CCC2=O)O)CCc3cccc(c3)OC target = 1, prediction = 0.40895894309, rank prediction = 1442 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4483, atomId = 6342, opReactId = 2187 rxnConditionsId= 3, smi = CCOC(=O)CC(=[NH+:1]C)C target = 1, prediction = 0.43597999036, rank prediction = 1450 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13017, atomId = 4449, opReactId = 1955 rxnConditionsId= 2, smi = C[C:1]#[NH+] target = 1, prediction = 0.461823231721, rank prediction = 1458 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17573, atomId = 6711, opReactId = 2224 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.470614494236, rank prediction = 1464 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14660, atomId = 3268, opReactId = 1824 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=O)NC target = 1, prediction = 0.495644942668, rank prediction = 1479 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.49748229721, rank prediction = 1481 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.530172653582, rank prediction = 1495 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 = 0.539021505679, rank prediction = 1499 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4845, atomId = 6711, opReactId = 2224 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.547943699749, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5545, atomId = 4449, opReactId = 1955 rxnConditionsId= 1, smi = C[C:1]#[NH+] target = 1, prediction = 0.646939283778, rank prediction = 1528 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 = 0.664174603334, rank prediction = 1535 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11474, atomId = 5884, opReactId = 2140 rxnConditionsId= 1, smi = CNC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.670254617911, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12740, atomId = 9481, opReactId = 2530 rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.69235160749, rank prediction = 1540 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13331, atomId = 8339, opReactId = 2361 rxnConditionsId= 1, smi = CC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.711093580211, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8239, atomId = 5664, opReactId = 2105 rxnConditionsId= 6, smi = CC1=C[N-][CH:1](C=C1)N target = 1, prediction = 0.713771278285, rank prediction = 1547 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5796, atomId = 9145, opReactId = 2506 rxnConditionsId= 1, smi = [CH3:1]C(=O)N(C)C target = 1, prediction = 0.717936739661, rank prediction = 1550 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 = 0.737932631048, rank prediction = 1555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13952, atomId = 7691, opReactId = 2337 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccncc1 target = 1, prediction = 0.750213707111, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6318, atomId = 5636, opReactId = 2094 rxnConditionsId= 6, smi = C1=C[CH:1]([N-]C=C1)N target = 1, prediction = 0.750275738906, rank prediction = 1559 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18428, atomId = 5412, opReactId = 2080 rxnConditionsId= 7, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.752945804788, rank prediction = 1561 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1335, atomId = 13867, opReactId = 3019 rxnConditionsId= 1, smi = C1C[CH2:1]C(=O)C1 target = 1, prediction = 0.758169782463, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16826, atomId = 5884, opReactId = 2140 rxnConditionsId= 3, smi = CNC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.762603372695, rank prediction = 1565 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10627, atomId = 5408, opReactId = 2068 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(=[OH+:1])CC3)O target = 1, prediction = 0.774046592663, rank prediction = 1571 isPredictedFilled = False, isPredictedUnfilled = True