Worst predictions : D4H20_un_e125_s6_lowestPos.txt

rAtomId = 4989, atomId = 7853, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.0987930129741, rank prediction = 1189 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4612, atomId = 7853, opReactId = 2354 rxnConditionsId= 6, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.115859777712, rank prediction = 1214 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4988, atomId = 7846, opReactId = 2354 rxnConditionsId= 1, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.137324145755, rank prediction = 1239 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17768, atomId = 7853, opReactId = 2354 rxnConditionsId= 3, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.14419218713, rank prediction = 1252 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4610, atomId = 7846, opReactId = 2354 rxnConditionsId= 6, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.162306939429, rank prediction = 1270 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8065, atomId = 8151, opReactId = 2398 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Cl target = 1, prediction = 0.169354426083, rank prediction = 1275 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2493, atomId = 7896, opReactId = 2366 rxnConditionsId= 3, smi = CN(C)[C:1](=O)CC#N target = 1, prediction = 0.191853794355, rank prediction = 1288 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17767, atomId = 7846, opReactId = 2354 rxnConditionsId= 3, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.199201106004, rank prediction = 1296 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.221714756533, rank prediction = 1310 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4229, atomId = 10752, opReactId = 2704 rxnConditionsId= 3, smi = CCC([CH3:1])[N+](C)(C)C target = 1, prediction = 0.330496700058, rank prediction = 1375 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7503, atomId = 7853, opReactId = 2354 rxnConditionsId= 7, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.337876792844, rank prediction = 1380 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11639, atomId = 10513, opReactId = 2674 rxnConditionsId= 3, smi = CCC([CH3:1])(C)[N+](C)(C)C target = 1, prediction = 0.373171522391, rank prediction = 1392 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 = 0.407682564033, rank prediction = 1408 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7502, atomId = 7846, opReactId = 2354 rxnConditionsId= 7, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.431588706665, rank prediction = 1421 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.43172778313, rank prediction = 1423 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.478840348859, rank prediction = 1435 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.49640491663, rank prediction = 1441 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11676, atomId = 1694, opReactId = 1559 rxnConditionsId= 1, smi = COC(=[OH+])C=[CH2:1] target = 1, prediction = 0.507874111469, rank prediction = 1445 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 = 0.519823050018, rank prediction = 1451 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8815, atomId = 14371, opReactId = 3084 rxnConditionsId= 1, smi = C=C(CCC1CCCC[C:1]1=O)[O-] target = 1, prediction = 0.520819993869, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.536042517994, rank prediction = 1459 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18531, atomId = 3497, opReactId = 1869 rxnConditionsId= 1, smi = C[CH2:1][CH+]O target = 1, prediction = 0.536453750011, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6565, atomId = 2394, opReactId = 1537 rxnConditionsId= 1, smi = [CH2:1]=CC(=[OH+])O target = 1, prediction = 0.554509581208, rank prediction = 1465 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10923, atomId = 4209, opReactId = 1860 rxnConditionsId= 1, smi = C1CC[C:1](=O)CC1 target = 1, prediction = 0.610147560537, rank prediction = 1484 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 = 0.634708810928, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.641306179111, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10458, atomId = 3344, opReactId = 1699 rxnConditionsId= 1, smi = CC1CCCC[C:1]1=O target = 1, prediction = 0.66271454319, rank prediction = 1499 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.696858945673, rank prediction = 1506 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10455, atomId = 3334, opReactId = 1699 rxnConditionsId= 1, smi = C[CH:1]1CCCCC1=O target = 1, prediction = 0.735042100701, rank prediction = 1515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13769, atomId = 5486, opReactId = 2081 rxnConditionsId= 6, smi = [CH3:1]C(C)(Br)Br target = 1, prediction = 0.735149442594, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True