Worst predictions : D4H10_un_e134_s1_lowestPos.txt

rAtomId = 11550, atomId = 2107, opReactId = 1617 rxnConditionsId= 1, smi = CCC(C)(C(C)Br)[OH+:1]C target = 1, prediction = 0.0985335633917, rank prediction = 1238 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 = 0.10049265226, rank prediction = 1250 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10934, atomId = 1573, opReactId = 1471 rxnConditionsId= 8, smi = [CH3:1]C=[OH+] target = 1, prediction = 0.194296710187, rank prediction = 1370 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5890, atomId = 10306, opReactId = 2661 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(CC)CC target = 1, prediction = 0.204867361545, rank prediction = 1379 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.252510417984, rank prediction = 1419 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652 rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C target = 1, prediction = 0.286174966974, rank prediction = 1438 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 = 0.288835783704, rank prediction = 1440 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11760, atomId = 7124, opReactId = 2270 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1ccc(cc1)I)(c2ccc(cc2)I)O target = 1, prediction = 0.337111371702, rank prediction = 1472 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 = 0.489913749263, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13473, atomId = 7319, opReactId = 2309 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1cccc(c1)Br)(c2cccc(c2)Br)O target = 1, prediction = 0.593610468475, rank prediction = 1571 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17342, atomId = 11387, opReactId = 2789 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)CC(=O)[OH:1] target = 1, prediction = 0.598817061593, rank prediction = 1574 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.611004718642, rank prediction = 1580 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15817, atomId = 1355, opReactId = 1567 rxnConditionsId= 1, smi = C[C:1](=O)C target = 1, prediction = 0.647062468425, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16633, atomId = 11125, opReactId = 2754 rxnConditionsId= 6, smi = CCO[C:1](=O)CCC[O-] target = 1, prediction = 0.659612501997, rank prediction = 1601 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15812, atomId = 1353, opReactId = 1567 rxnConditionsId= 1, smi = [CH3:1]C(=O)C target = 1, prediction = 0.664444966301, rank prediction = 1605 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12692, atomId = 5809, opReactId = 2132 rxnConditionsId= 3, smi = CC(=O)CC=[NH+:1]C target = 1, prediction = 0.669198222012, rank prediction = 1607 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5049, atomId = 5501, opReactId = 2077 rxnConditionsId= 6, smi = CC=CC1CCC[CH2:1]C1Br target = 1, prediction = 0.676000551734, rank prediction = 1610 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6865, atomId = 13669, opReactId = 2995 rxnConditionsId= 1, smi = CC(=O)[NH2:1] target = 1, prediction = 0.702269082732, rank prediction = 1619 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18786, atomId = 2540, opReactId = 1752 rxnConditionsId= 1, smi = [OH2:1] target = 1, prediction = 0.70782864503, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 8901, atomId = 9863, opReactId = 2584 rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)C target = 1, prediction = 0.712009729766, rank prediction = 1622 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18061, atomId = 6372, opReactId = 2194 rxnConditionsId= 1, smi = C=C(CC[CH:1]=O)[O-] target = 1, prediction = 0.715351248819, rank prediction = 1623 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3312, atomId = 1355, opReactId = 1567 rxnConditionsId= 3, smi = C[C:1](=O)C target = 1, prediction = 0.720981351447, rank prediction = 1627 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13967, atomId = 2540, opReactId = 1752 rxnConditionsId= 6, smi = [OH2:1] target = 1, prediction = 0.721241928463, rank prediction = 1628 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3310, atomId = 1353, opReactId = 1567 rxnConditionsId= 3, smi = [CH3:1]C(=O)C target = 1, prediction = 0.728168471011, rank prediction = 1629 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.73315574476, rank prediction = 1634 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7974, atomId = 15006, opReactId = 3077 rxnConditionsId= 1, smi = C[CH:1](C=O)C(C)O target = 1, prediction = 0.740786837754, rank prediction = 1636 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17729, atomId = 4309, opReactId = 1945 rxnConditionsId= 2, smi = CC(N(C)C)[OH2+:1] target = 1, prediction = 0.763231913605, rank prediction = 1640 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12799, atomId = 6372, opReactId = 2194 rxnConditionsId= 3, smi = C=C(CC[CH:1]=O)[O-] target = 1, prediction = 0.775320063025, rank prediction = 1643 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16484, atomId = 9075, opReactId = 2501 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1 target = 1, prediction = 0.790548389979, rank prediction = 1649 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1607, atomId = 13523, opReactId = 2970 rxnConditionsId= 2, smi = CC(NC(Cc1ccccc1)C(=O)O)([OH2+:1])O target = 1, prediction = 0.803912676173, rank prediction = 1652 isPredictedFilled = False, isPredictedUnfilled = True