Worst predictions : D4H0_un_e126_s6_lowestPos.txt

rAtomId = 11351, atomId = 1887, opReactId = 1570 rxnConditionsId= 2, smi = [Br:1]Br target = 1, prediction = 0.0369890660883, rank prediction = 716 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18697, atomId = 1887, opReactId = 1570 rxnConditionsId= 1, smi = [Br:1]Br target = 1, prediction = 0.0597956528458, rank prediction = 848 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13297, atomId = 1887, opReactId = 1570 rxnConditionsId= 8, smi = [Br:1]Br target = 1, prediction = 0.0662407362694, rank prediction = 886 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.0934953100275, rank prediction = 1013 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.109180416136, rank prediction = 1064 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8461, atomId = 5683, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cccn[cH:1]1 target = 1, prediction = 0.115840361067, rank prediction = 1079 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8456, atomId = 5680, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cc[cH:1]nc1 target = 1, prediction = 0.11721304418, rank prediction = 1084 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10696, atomId = 5815, opReactId = 2133 rxnConditionsId= 1, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.121228758163, rank prediction = 1098 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.127296509031, rank prediction = 1115 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.128049440658, rank prediction = 1116 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10730, atomId = 11097, opReactId = 2750 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=O)[NH:1]C2=O target = 1, prediction = 0.142820778694, rank prediction = 1147 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5713, atomId = 5815, opReactId = 2133 rxnConditionsId= 3, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.160687509111, rank prediction = 1184 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.196524790635, rank prediction = 1248 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16545, atomId = 8554, opReactId = 2439 rxnConditionsId= 6, smi = c1[cH:1]c(cnc1)Cl target = 1, prediction = 0.208257596543, rank prediction = 1263 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.218388320749, rank prediction = 1274 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652 rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C target = 1, prediction = 0.223375832917, rank prediction = 1279 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.268478360854, rank prediction = 1340 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.279416150212, rank prediction = 1344 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10702, atomId = 5823, opReactId = 2133 rxnConditionsId= 1, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.29808012631, rank prediction = 1359 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7226, atomId = 15320, opReactId = 3168 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC(=O)OC[CH:1]2c3ccccc3-c4c2cccc4 target = 1, prediction = 0.299231844022, rank prediction = 1360 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18726, atomId = 12579, opReactId = 2923 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C(=O)OCC)NC(=O)C target = 1, prediction = 0.299429055738, rank prediction = 1361 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3584, atomId = 15042, opReactId = 3136 rxnConditionsId= 1, smi = CC1(C(=O)CCC1=O)CCC(=O)[CH2:1]CCc2cccc(c2)OC target = 1, prediction = 0.307328939581, rank prediction = 1366 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.311773693856, rank prediction = 1368 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16546, atomId = 8556, opReactId = 2439 rxnConditionsId= 6, smi = c1cc([cH:1]nc1)Cl target = 1, prediction = 0.312519578694, rank prediction = 1369 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3154, atomId = 10789, opReactId = 2710 rxnConditionsId= 3, smi = C[CH2:1]C(CC)(C(C)C)[N+](C)(C)C target = 1, prediction = 0.343614252849, rank prediction = 1391 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5717, atomId = 5823, opReactId = 2133 rxnConditionsId= 3, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.370812400469, rank prediction = 1412 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2457, atomId = 2189, opReactId = 1538 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.381794079583, rank prediction = 1417 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5194, atomId = 4667, opReactId = 1964 rxnConditionsId= 1, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.394815599999, rank prediction = 1424 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18668, atomId = 5952, opReactId = 2149 rxnConditionsId= 1, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.395566218363, rank prediction = 1426 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.402722899923, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True