Worst predictions : D4H0_un_e132_s2_lowestPos.txt

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.141304609567, rank prediction = 1082 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17498, atomId = 5724, opReactId = 2107 rxnConditionsId= 6, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.184226790576, rank prediction = 1147 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4989, atomId = 7853, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.192826954821, rank prediction = 1161 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4988, atomId = 7846, opReactId = 2354 rxnConditionsId= 1, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.232587371503, rank prediction = 1209 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.241451378749, rank prediction = 1218 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17768, atomId = 7853, opReactId = 2354 rxnConditionsId= 3, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.247951982272, rank prediction = 1232 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4612, atomId = 7853, opReactId = 2354 rxnConditionsId= 6, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.26820503159, rank prediction = 1258 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17767, atomId = 7846, opReactId = 2354 rxnConditionsId= 3, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.294925880346, rank prediction = 1285 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.305220736453, rank prediction = 1301 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.310122212312, rank prediction = 1305 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4610, atomId = 7846, opReactId = 2354 rxnConditionsId= 6, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.317396488126, rank prediction = 1312 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14817, atomId = 5724, opReactId = 2107 rxnConditionsId= 7, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.340703052478, rank prediction = 1339 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11859, atomId = 3669, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.34138754757, rank prediction = 1340 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.388591829439, rank prediction = 1380 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.392349675822, rank prediction = 1384 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6731, atomId = 6614, opReactId = 2242 rxnConditionsId= 1, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.403989299842, rank prediction = 1392 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6676, atomId = 3669, opReactId = 1741 rxnConditionsId= 3, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.417039834438, rank prediction = 1398 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 = 0.419388911349, rank prediction = 1399 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2444, atomId = 11423, opReactId = 2792 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=CC(=O)[OH:1])O target = 1, prediction = 0.430562281933, rank prediction = 1416 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3205, atomId = 11872, opReactId = 2827 rxnConditionsId= 3, smi = CC(=O)ON=[CH:1]C(CO)O target = 1, prediction = 0.441075934289, rank prediction = 1425 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2053, atomId = 5934, opReactId = 2147 rxnConditionsId= 1, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.455224265007, rank prediction = 1438 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7503, atomId = 7853, opReactId = 2354 rxnConditionsId= 7, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.45612747555, rank prediction = 1441 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1782, atomId = 5984, opReactId = 2156 rxnConditionsId= 1, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.457192794975, rank prediction = 1443 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 = 0.461227832789, rank prediction = 1444 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 = 0.469851303821, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11834, atomId = 3667, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CC[C:1](=O)C target = 1, prediction = 0.470255845223, rank prediction = 1453 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12419, atomId = 14674, opReactId = 3113 rxnConditionsId= 1, smi = C[C:1](=O)CCCC=C(C)[O-] target = 1, prediction = 0.471234197849, rank prediction = 1454 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16480, atomId = 14105, opReactId = 3053 rxnConditionsId= 1, smi = CCO[CH:1]=O target = 1, prediction = 0.480589044015, rank prediction = 1462 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1633, atomId = 6614, opReactId = 2242 rxnConditionsId= 3, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.483333576707, rank prediction = 1464 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16056, atomId = 10088, opReactId = 2602 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C(C)Br target = 1, prediction = 0.483981147589, rank prediction = 1466 isPredictedFilled = False, isPredictedUnfilled = True