Worst predictions : D4H20_un_e129_s3_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.00232865544162, rank prediction = 515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7608, atomId = 8167, opReactId = 2400 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1I target = 1, prediction = 0.0134955410959, rank prediction = 872 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3594, atomId = 7033, opReactId = 2278 rxnConditionsId= 1, smi = [CH3:1]C=CC(=O)C target = 1, prediction = 0.0574222642364, rank prediction = 1140 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15739, atomId = 7033, opReactId = 2278 rxnConditionsId= 3, smi = [CH3:1]C=CC(=O)C target = 1, prediction = 0.083691622931, rank prediction = 1209 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 = 0.126043547202, rank prediction = 1283 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11350, atomId = 3790, opReactId = 1888 rxnConditionsId= 1, smi = [CH2:1]=CC#[NH+] target = 1, prediction = 0.162343638735, rank prediction = 1330 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.178792850591, rank prediction = 1347 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.23996148841, rank prediction = 1405 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 = 0.270939122127, rank prediction = 1429 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.347139821452, rank prediction = 1476 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 = 0.365055213599, rank prediction = 1487 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13467, atomId = 9644, opReactId = 2552 rxnConditionsId= 8, smi = C[C:1]([OH2+])(O)O target = 1, prediction = 0.424008480515, rank prediction = 1511 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5194, atomId = 4667, opReactId = 1964 rxnConditionsId= 1, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.433317012288, rank prediction = 1515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.451060782552, rank prediction = 1520 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10342, atomId = 4667, opReactId = 1964 rxnConditionsId= 3, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.543829743966, 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 = 0.56590234499, rank prediction = 1551 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10297, atomId = 5186, opReactId = 2044 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+:1]2)O target = 1, prediction = 0.567845444068, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2636, atomId = 9982, opReactId = 2601 rxnConditionsId= 1, smi = CCOC(=O)[CH:1](CCCCBr)C(=O)OCC target = 1, prediction = 0.569683055701, rank prediction = 1553 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.581240401405, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8182, atomId = 7041, opReactId = 2278 rxnConditionsId= 7, smi = CC=CC(=O)[CH3:1] target = 1, prediction = 0.588035460916, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6608, atomId = 6402, opReactId = 2199 rxnConditionsId= 3, smi = c1ccc(cc1)[C:1](=O)C2CCC3(CC2)OCCO3 target = 1, prediction = 0.62178394724, rank prediction = 1570 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 = 0.623091284219, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7695, atomId = 2015, opReactId = 1551 rxnConditionsId= 1, smi = CC(=C)[OH:1] target = 1, prediction = 0.6262497045, rank prediction = 1574 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.641863293615, rank prediction = 1579 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 = 0.656085019188, rank prediction = 1583 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.685707402241, rank prediction = 1592 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 = 0.691929881947, rank prediction = 1593 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3601, atomId = 7039, opReactId = 2278 rxnConditionsId= 1, smi = CC=C[C:1](=O)C target = 1, prediction = 0.697102637834, rank prediction = 1594 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7076, atomId = 1789, opReactId = 1524 rxnConditionsId= 1, smi = CCO[C:1](C)([OH2+])O target = 1, prediction = 0.703747387758, rank prediction = 1596 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 = 0.71325626396, rank prediction = 1601 isPredictedFilled = False, isPredictedUnfilled = True