Worst predictions : D4H0_un_e129_s0_lowestPos.txt

rAtomId = 14511, atomId = 5743, opReactId = 2110 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br target = 1, prediction = 0.0301439633098, rank prediction = 565 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5890, atomId = 10306, opReactId = 2661 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(CC)CC target = 1, prediction = 0.183308728495, rank prediction = 1116 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.212147524058, rank prediction = 1157 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.222450151018, rank prediction = 1172 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17635, atomId = 11554, opReactId = 2808 rxnConditionsId= 3, smi = c1ccc2c(c1)-c3ccccc3C2CO[C:1](=O)ON4C(=O)CCC4=O target = 1, prediction = 0.260903164657, rank prediction = 1214 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11550, atomId = 2107, opReactId = 1617 rxnConditionsId= 1, smi = CCC(C)(C(C)Br)[OH+:1]C target = 1, prediction = 0.273918900439, rank prediction = 1229 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.287710497481, rank prediction = 1242 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5035, atomId = 1757, opReactId = 1569 rxnConditionsId= 1, smi = [CH3:1][CH+]c1ccccc1 target = 1, prediction = 0.355661259355, rank prediction = 1292 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.404806805778, rank prediction = 1326 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10876, atomId = 13699, opReactId = 3003 rxnConditionsId= 1, smi = CCO[C:1](=O)OCC target = 1, prediction = 0.420899311867, rank prediction = 1334 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10346, atomId = 4305, opReactId = 1807 rxnConditionsId= 2, smi = CC[C:1]#[NH+] target = 1, prediction = 0.465591781855, rank prediction = 1370 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12178, atomId = 14108, opReactId = 3054 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CCC1(CCCCC1=O)C target = 1, prediction = 0.481576526142, rank prediction = 1378 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9372, atomId = 7105, opReactId = 2267 rxnConditionsId= 3, smi = C[C:1](=O)CCC(=O)c1ccccc1 target = 1, prediction = 0.526027731942, rank prediction = 1400 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16760, atomId = 14781, opReactId = 3121 rxnConditionsId= 1, smi = CCC(C)O[C:1](=O)C target = 1, prediction = 0.539697282291, rank prediction = 1412 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2872, atomId = 14984, opReactId = 3129 rxnConditionsId= 1, smi = c1ccc(c(c1)[N+](=O)[O-])[OH:1] target = 1, prediction = 0.544317248103, rank prediction = 1418 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11695, atomId = 13794, opReactId = 3010 rxnConditionsId= 1, smi = CC([CH2:1]C#N)O target = 1, prediction = 0.546147947682, rank prediction = 1421 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2772, atomId = 4305, opReactId = 1807 rxnConditionsId= 1, smi = CC[C:1]#[NH+] target = 1, prediction = 0.583215298097, rank prediction = 1447 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3233, atomId = 7427, opReactId = 2299 rxnConditionsId= 1, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.586551849076, rank prediction = 1449 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.587395741814, rank prediction = 1453 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14950, atomId = 7579, opReactId = 2323 rxnConditionsId= 3, smi = CC#C[C:1](=O)C target = 1, prediction = 0.611020180065, rank prediction = 1469 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4517, atomId = 14194, opReactId = 3066 rxnConditionsId= 1, smi = CC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.636677073416, rank prediction = 1478 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.649555220966, rank prediction = 1480 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15353, atomId = 3123, opReactId = 1800 rxnConditionsId= 6, smi = CC(=[CH2:1])Br target = 1, prediction = 0.650261760589, rank prediction = 1481 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14232, atomId = 5611, opReactId = 2097 rxnConditionsId= 1, smi = COC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.653968885708, rank prediction = 1482 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7751, atomId = 7427, opReactId = 2299 rxnConditionsId= 3, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.666999209503, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7974, atomId = 15006, opReactId = 3077 rxnConditionsId= 1, smi = C[CH:1](C=O)C(C)O target = 1, prediction = 0.692552561297, rank prediction = 1495 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3518, atomId = 2283, opReactId = 1533 rxnConditionsId= 1, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.695383535613, rank prediction = 1496 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15269, atomId = 10821, opReactId = 2712 rxnConditionsId= 1, smi = [CH3:1]C(=[N+]1CCCC1)CCCC(=O)N target = 1, prediction = 0.700994184232, rank prediction = 1500 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15571, atomId = 5433, opReactId = 2062 rxnConditionsId= 2, smi = C[CH:1]([NH2+]C)O target = 1, prediction = 0.703096821013, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12837, atomId = 10964, opReactId = 2737 rxnConditionsId= 1, smi = [CH3:1]C(=[N+]1CCCC1)CCCC=NC target = 1, prediction = 0.70348910906, rank prediction = 1503 isPredictedFilled = False, isPredictedUnfilled = True