Worst predictions : D4H10_un_e133_s6_lowestPos.txt

rAtomId = 7608, atomId = 8167, opReactId = 2400 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1I target = 1, prediction = 0.0138790965456, rank prediction = 850 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17016, atomId = 10739, opReactId = 2703 rxnConditionsId= 3, smi = C[CH:1]1CC=CC(C1[N+](C)(C)C)C target = 1, prediction = 0.082809650605, rank prediction = 1160 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11350, atomId = 3790, opReactId = 1888 rxnConditionsId= 1, smi = [CH2:1]=CC#[NH+] target = 1, prediction = 0.165305834817, rank prediction = 1257 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2493, atomId = 7896, opReactId = 2366 rxnConditionsId= 3, smi = CN(C)[C:1](=O)CC#N target = 1, prediction = 0.213860357609, rank prediction = 1298 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3442, atomId = 10709, opReactId = 2700 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC target = 1, prediction = 0.293410281666, rank prediction = 1352 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13593, atomId = 5512, opReactId = 2084 rxnConditionsId= 7, smi = [CH3:1]c1ccccn1 target = 1, prediction = 0.313521029901, rank prediction = 1371 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3725, atomId = 14249, opReactId = 3068 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCCC(=O)C target = 1, prediction = 0.442094367076, rank prediction = 1431 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18568, atomId = 6075, opReactId = 2158 rxnConditionsId= 1, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.44699545756, rank prediction = 1433 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 = 0.471158372054, rank prediction = 1440 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10730, atomId = 11097, opReactId = 2750 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=O)[NH:1]C2=O target = 1, prediction = 0.481016277478, rank prediction = 1443 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12419, atomId = 14674, opReactId = 3113 rxnConditionsId= 1, smi = C[C:1](=O)CCCC=C(C)[O-] target = 1, prediction = 0.488440040218, rank prediction = 1446 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 = 0.498771829869, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13450, atomId = 6075, opReactId = 2158 rxnConditionsId= 3, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.522681137217, rank prediction = 1459 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.52780493869, rank prediction = 1463 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16406, atomId = 9942, opReactId = 2593 rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC target = 1, prediction = 0.546032262918, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12694, atomId = 5758, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=C[C:1]#C1 target = 1, prediction = 0.558518438643, rank prediction = 1472 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17031, atomId = 10743, opReactId = 2703 rxnConditionsId= 3, smi = CC1CC=C[CH:1](C1[N+](C)(C)C)C target = 1, prediction = 0.576517010607, rank prediction = 1478 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2636, atomId = 9982, opReactId = 2601 rxnConditionsId= 1, smi = CCOC(=O)[CH:1](CCCCBr)C(=O)OCC target = 1, prediction = 0.578373541369, rank prediction = 1480 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3499, atomId = 15215, opReactId = 3158 rxnConditionsId= 3, smi = c1cc[nH+:1]cc1 target = 1, prediction = 0.589214185749, rank prediction = 1483 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.593201878614, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6500, atomId = 7043, opReactId = 2279 rxnConditionsId= 1, smi = C[C:1](=O)OC target = 1, prediction = 0.609562387014, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4845, atomId = 6711, opReactId = 2224 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.610694348591, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.627193472742, rank prediction = 1498 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.628484116477, rank prediction = 1500 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17015, atomId = 11515, opReactId = 2819 rxnConditionsId= 3, smi = C[CH:1]=NOC(=O)C target = 1, prediction = 0.640206391506, rank prediction = 1506 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.652980177168, rank prediction = 1511 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12699, atomId = 5759, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=CC#[C:1]1 target = 1, prediction = 0.656333369379, rank prediction = 1512 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10923, atomId = 4209, opReactId = 1860 rxnConditionsId= 1, smi = C1CC[C:1](=O)CC1 target = 1, prediction = 0.668558319337, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18668, atomId = 5952, opReactId = 2149 rxnConditionsId= 1, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.690888662279, rank prediction = 1526 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13467, atomId = 9644, opReactId = 2552 rxnConditionsId= 8, smi = C[C:1]([OH2+])(O)O target = 1, prediction = 0.707768559134, rank prediction = 1532 isPredictedFilled = False, isPredictedUnfilled = True