Worst predictions : D4H10_un_e129_s3_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.00240033050562, rank prediction = 516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7608, atomId = 8167, opReactId = 2400 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1I target = 1, prediction = 0.0145750005786, rank prediction = 869 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3594, atomId = 7033, opReactId = 2278 rxnConditionsId= 1, smi = [CH3:1]C=CC(=O)C target = 1, prediction = 0.0854396374495, rank prediction = 1190 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15739, atomId = 7033, opReactId = 2278 rxnConditionsId= 3, smi = [CH3:1]C=CC(=O)C target = 1, prediction = 0.11744977242, rank prediction = 1253 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6793, atomId = 15037, opReactId = 3137 rxnConditionsId= 1, smi = CC1([C:1](=O)CCC1=O)CCC(=CCCc2cccc(c2)OC)[O-] target = 1, prediction = 0.126391245496, rank prediction = 1262 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11350, atomId = 3790, opReactId = 1888 rxnConditionsId= 1, smi = [CH2:1]=CC#[NH+] target = 1, prediction = 0.175097860926, rank prediction = 1337 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.227334784115, rank prediction = 1391 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.242331781392, rank prediction = 1403 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14459, atomId = 6554, opReactId = 2230 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.250492632307, rank prediction = 1411 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9226, atomId = 6554, opReactId = 2230 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.329850394036, rank prediction = 1463 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.352547329071, rank prediction = 1478 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13467, atomId = 9644, opReactId = 2552 rxnConditionsId= 8, smi = C[C:1]([OH2+])(O)O target = 1, prediction = 0.381569527872, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5194, atomId = 4667, opReactId = 1964 rxnConditionsId= 1, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.438980709005, rank prediction = 1513 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.456904022858, rank prediction = 1515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10342, atomId = 4667, opReactId = 1964 rxnConditionsId= 3, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.544544293121, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2636, atomId = 9982, opReactId = 2601 rxnConditionsId= 1, smi = CCOC(=O)[CH:1](CCCCBr)C(=O)OCC target = 1, prediction = 0.551660605929, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17342, atomId = 11387, opReactId = 2789 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)CC(=O)[OH:1] target = 1, prediction = 0.569244494208, rank prediction = 1551 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8561, atomId = 8242, opReactId = 2405 rxnConditionsId= 3, smi = C[CH:1](C)C(CC(C(C)C)Br)Br target = 1, prediction = 0.578083465507, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.592631129192, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8182, atomId = 7041, opReactId = 2278 rxnConditionsId= 7, smi = CC=CC(=O)[CH3:1] target = 1, prediction = 0.594640771494, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7695, atomId = 2015, opReactId = 1551 rxnConditionsId= 1, smi = CC(=C)[OH:1] target = 1, prediction = 0.631423255577, rank prediction = 1568 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6608, atomId = 6402, opReactId = 2199 rxnConditionsId= 3, smi = c1ccc(cc1)[C:1](=O)C2CCC3(CC2)OCCO3 target = 1, prediction = 0.635446126227, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11796, atomId = 6122, opReactId = 2168 rxnConditionsId= 1, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.649920763434, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10297, atomId = 5186, opReactId = 2044 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+:1]2)O target = 1, prediction = 0.657745113259, rank prediction = 1584 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.665308124459, rank prediction = 1587 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3687, atomId = 14202, opReactId = 3059 rxnConditionsId= 1, smi = C[CH:1]1C(=O)CCC2(C1(CCCC2)O)C target = 1, prediction = 0.6885994409, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3601, atomId = 7039, opReactId = 2278 rxnConditionsId= 1, smi = CC=C[C:1](=O)C target = 1, prediction = 0.695372661437, rank prediction = 1593 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7076, atomId = 1789, opReactId = 1524 rxnConditionsId= 1, smi = CCO[C:1](C)([OH2+])O target = 1, prediction = 0.696922227406, rank prediction = 1595 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12986, atomId = 6208, opReactId = 2179 rxnConditionsId= 1, smi = CN(C)C(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.698638551029, rank prediction = 1597 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.71985934679, rank prediction = 1601 isPredictedFilled = False, isPredictedUnfilled = True