Worst predictions : D4H0_un_e131_s3_lowestPos.txt

rAtomId = 17498, atomId = 5724, opReactId = 2107 rxnConditionsId= 6, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.175178846908, rank prediction = 1105 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.237048577095, rank prediction = 1209 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2493, atomId = 7896, opReactId = 2366 rxnConditionsId= 3, smi = CN(C)[C:1](=O)CC#N target = 1, prediction = 0.280741936308, rank prediction = 1260 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2783, atomId = 3922, opReactId = 1918 rxnConditionsId= 1, smi = CC(C1(CCC[OH+:1]1)C)Br target = 1, prediction = 0.328744187602, rank prediction = 1305 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14817, atomId = 5724, opReactId = 2107 rxnConditionsId= 7, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.330703558127, rank prediction = 1312 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.385468710449, rank prediction = 1340 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2241, atomId = 14709, opReactId = 3110 rxnConditionsId= 1, smi = c1ccc(cc1)C(=O)[OH:1] target = 1, prediction = 0.454937781581, rank prediction = 1404 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12178, atomId = 14108, opReactId = 3054 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CCC1(CCCCC1=O)C target = 1, prediction = 0.47118787928, rank prediction = 1414 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9990, atomId = 13740, opReactId = 3005 rxnConditionsId= 1, smi = CCOC(=O)C=[CH2:1] target = 1, prediction = 0.489429346885, rank prediction = 1424 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.518827376154, rank prediction = 1441 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.527182177614, rank prediction = 1446 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10181, atomId = 14867, opReactId = 3126 rxnConditionsId= 1, smi = CC(=O)CCC(=O)[OH:1] target = 1, prediction = 0.532381618783, rank prediction = 1448 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9132, atomId = 9153, opReactId = 2507 rxnConditionsId= 1, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.571184187253, rank prediction = 1475 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3011, atomId = 11118, opReactId = 2753 rxnConditionsId= 1, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.575576260189, rank prediction = 1477 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.577386160188, rank prediction = 1478 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16248, atomId = 14410, opReactId = 3093 rxnConditionsId= 1, smi = CC(C)([CH2:1]C#N)O target = 1, prediction = 0.581194673462, rank prediction = 1480 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3843, atomId = 14007, opReactId = 3038 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CO target = 1, prediction = 0.602016837362, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14136, atomId = 9153, opReactId = 2507 rxnConditionsId= 3, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.649832496024, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14820, atomId = 15173, opReactId = 3153 rxnConditionsId= 1, smi = c1cc(ccc1[N+](=O)[O-])[OH:1] target = 1, prediction = 0.653833277718, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15522, atomId = 1086, opReactId = 1492 rxnConditionsId= 1, smi = CC(C)C[CH2:1][OH2+] target = 1, prediction = 0.661874692916, rank prediction = 1524 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11148, atomId = 11118, opReactId = 2753 rxnConditionsId= 6, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.676994059945, rank prediction = 1531 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9282, atomId = 10774, opReactId = 2719 rxnConditionsId= 1, smi = [CH3:1]C(=[N+]1CCCC1)CCC=C=[N-] target = 1, prediction = 0.731670223159, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6911, atomId = 9248, opReactId = 2517 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1Cl target = 1, prediction = 0.733071886873, rank prediction = 1547 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14066, atomId = 8785, opReactId = 2461 rxnConditionsId= 3, smi = c1ccc(cc1)CC[CH:1]([NH+]2CCCCC2)O target = 1, prediction = 0.73740680789, rank prediction = 1550 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14065, atomId = 9878, opReactId = 2597 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(=O)OCC target = 1, prediction = 0.747942132172, rank prediction = 1555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14003, atomId = 4151, opReactId = 1817 rxnConditionsId= 1, smi = CCN(CC)C(=O)C=[CH2:1] target = 1, prediction = 0.748606479632, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9785, atomId = 14416, opReactId = 3082 rxnConditionsId= 1, smi = CC[CH:1](C(=C[O-])C)O target = 1, prediction = 0.749490258901, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12612, atomId = 1504, opReactId = 1473 rxnConditionsId= 1, smi = C[CH:1](CC=O)[OH2+] target = 1, prediction = 0.754417604568, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10014, atomId = 4826, opReactId = 2007 rxnConditionsId= 1, smi = CCN[C:1](C)(O)OC(=O)CCC=O target = 1, prediction = 0.755650705851, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15637, atomId = 13008, opReactId = 2941 rxnConditionsId= 2, smi = CCO[C:1](=[OH+])C(Cc1ccccc1)(C(=O)OCC)NC(=O)C target = 1, prediction = 0.776945677822, rank prediction = 1569 isPredictedFilled = False, isPredictedUnfilled = True