Worst predictions : D4H20_un_e127_s3_lowestPos.txt

rAtomId = 17498, atomId = 5724, opReactId = 2107 rxnConditionsId= 6, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.0581473433582, rank prediction = 1024 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11550, atomId = 2107, opReactId = 1617 rxnConditionsId= 1, smi = CCC(C)(C(C)Br)[OH+:1]C target = 1, prediction = 0.114009172803, rank prediction = 1145 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14817, atomId = 5724, opReactId = 2107 rxnConditionsId= 7, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.207483607967, rank prediction = 1242 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16545, atomId = 8554, opReactId = 2439 rxnConditionsId= 6, smi = c1[cH:1]c(cnc1)Cl target = 1, prediction = 0.295300122174, rank prediction = 1316 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10091, atomId = 5591, opReactId = 2098 rxnConditionsId= 1, smi = c1cncc[c:1]1Cl target = 1, prediction = 0.373026179992, rank prediction = 1361 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18565, atomId = 5591, opReactId = 2098 rxnConditionsId= 6, smi = c1cncc[c:1]1Cl target = 1, prediction = 0.390360096123, rank prediction = 1374 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4229, atomId = 10752, opReactId = 2704 rxnConditionsId= 3, smi = CCC([CH3:1])[N+](C)(C)C target = 1, prediction = 0.403934305876, rank prediction = 1377 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11639, atomId = 10513, opReactId = 2674 rxnConditionsId= 3, smi = CCC([CH3:1])(C)[N+](C)(C)C target = 1, prediction = 0.453918451221, rank prediction = 1395 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.457313440773, rank prediction = 1397 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.467181045126, rank prediction = 1402 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4681, atomId = 5591, opReactId = 2098 rxnConditionsId= 3, smi = c1cncc[c:1]1Cl target = 1, prediction = 0.478666049905, rank prediction = 1410 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5049, atomId = 5501, opReactId = 2077 rxnConditionsId= 6, smi = CC=CC1CCC[CH2:1]C1Br target = 1, prediction = 0.532742580019, rank prediction = 1429 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2872, atomId = 14984, opReactId = 3129 rxnConditionsId= 1, smi = c1ccc(c(c1)[N+](=O)[O-])[OH:1] target = 1, prediction = 0.561467976848, rank prediction = 1436 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10297, atomId = 5186, opReactId = 2044 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+:1]2)O target = 1, prediction = 0.578026962709, rank prediction = 1448 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365 rxnConditionsId= 1, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.601941461043, rank prediction = 1456 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3233, atomId = 7427, opReactId = 2299 rxnConditionsId= 1, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.660699263255, rank prediction = 1473 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10876, atomId = 13699, opReactId = 3003 rxnConditionsId= 1, smi = CCO[C:1](=O)OCC target = 1, prediction = 0.667185401324, rank prediction = 1476 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3843, atomId = 14007, opReactId = 3038 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CO target = 1, prediction = 0.68491638697, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365 rxnConditionsId= 3, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.698642819735, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15943, atomId = 6388, opReactId = 2198 rxnConditionsId= 1, smi = C1CC(=O)[CH2:1]C1O target = 1, prediction = 0.709307456241, rank prediction = 1489 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7751, atomId = 7427, opReactId = 2299 rxnConditionsId= 3, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.741108533762, rank prediction = 1498 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1335, atomId = 13867, opReactId = 3019 rxnConditionsId= 1, smi = C1C[CH2:1]C(=O)C1 target = 1, prediction = 0.775948070561, rank prediction = 1501 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11153, atomId = 6388, opReactId = 2198 rxnConditionsId= 3, smi = C1CC(=O)[CH2:1]C1O target = 1, prediction = 0.776718877169, rank prediction = 1503 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10714, atomId = 13784, opReactId = 3012 rxnConditionsId= 1, smi = [CH3:1][N+](=O)[O-] target = 1, prediction = 0.777516128305, rank prediction = 1504 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14562, atomId = 1664, opReactId = 1562 rxnConditionsId= 1, smi = CC=CC1[CH:1]([Br+]1)C target = 1, prediction = 0.779524923325, rank prediction = 1507 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1951, atomId = 2921, opReactId = 1633 rxnConditionsId= 1, smi = c1ccc(cc1)[C:1]2=C[Br+]2 target = 1, prediction = 0.78000413371, rank prediction = 1508 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7974, atomId = 15006, opReactId = 3077 rxnConditionsId= 1, smi = C[CH:1](C=O)C(C)O target = 1, prediction = 0.793027957759, rank prediction = 1514 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2544, atomId = 5501, opReactId = 2077 rxnConditionsId= 7, smi = CC=CC1CCC[CH2:1]C1Br target = 1, prediction = 0.816061970293, rank prediction = 1518 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8133, atomId = 1772, opReactId = 1579 rxnConditionsId= 1, smi = C[C:1](=[OH+])CCC(=C)O target = 1, prediction = 0.821112132484, rank prediction = 1520 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11276, atomId = 9365, opReactId = 2525 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1ccccc1F)(c2ccccc2F)O target = 1, prediction = 0.825047687767, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True