Worst predictions : D4H10_fi_e133_s9_lowestPos.txt

rAtomId = 4011, atomId = 12111, opReactId = 2840 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)N target = 1, prediction = 0.109353969861, rank prediction = 1277 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4051, atomId = 8256, opReactId = 2408 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N(C)C target = 1, prediction = 0.192166242274, rank prediction = 1320 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.498762628006, rank prediction = 1403 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.519335430223, rank prediction = 1408 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7292, atomId = 12637, opReactId = 2912 rxnConditionsId= 2, smi = [CH2:1]=CCCCCc1ccccc1 target = 1, prediction = 0.543490744469, rank prediction = 1413 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.573099118804, rank prediction = 1420 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6054, atomId = 4969, opReactId = 2011 rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+] target = 1, prediction = 0.596421236096, rank prediction = 1424 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3856, atomId = 2647, opReactId = 1762 rxnConditionsId= 1, smi = C=CC[OH:1] target = 1, prediction = 0.667526062238, rank prediction = 1439 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.688946253201, rank prediction = 1444 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.699737457781, rank prediction = 1448 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.700222423011, rank prediction = 1450 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15453, atomId = 5093, opReactId = 2041 rxnConditionsId= 1, smi = C[N:1]=CC=C target = 1, prediction = 0.751499763369, rank prediction = 1456 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.764942135094, rank prediction = 1458 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2863, atomId = 5548, opReactId = 2087 rxnConditionsId= 1, smi = C=CC([NH2:1])(O)O target = 1, prediction = 0.769392954181, rank prediction = 1460 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3850, atomId = 2644, opReactId = 1762 rxnConditionsId= 1, smi = [CH2:1]=CCO target = 1, prediction = 0.783252932846, rank prediction = 1464 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1286, atomId = 11946, opReactId = 2831 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC([O-:1])(OCC2c3ccccc3-c4c2cccc4)ON5C(=O)CCC5=O target = 1, prediction = 0.818564893146, rank prediction = 1469 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.834691497539, rank prediction = 1473 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18446, atomId = 3686, opReactId = 1878 rxnConditionsId= 1, smi = C1C(O1)CCCCC[OH:1] target = 1, prediction = 0.845265193437, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18658, atomId = 3775, opReactId = 1832 rxnConditionsId= 1, smi = C(CC[OH:1])CC(=[OH+])O target = 1, prediction = 0.858439083059, rank prediction = 1479 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9945, atomId = 5296, opReactId = 2055 rxnConditionsId= 3, smi = CCNC(C)[OH:1] target = 1, prediction = 0.882254172488, rank prediction = 1484 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14712, atomId = 10415, opReactId = 2680 rxnConditionsId= 3, smi = CC=CC1CCCC(C1[N:1](C)C)C target = 1, prediction = 0.89100377949, rank prediction = 1485 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14342, atomId = 4137, opReactId = 1898 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)Br target = 1, prediction = 0.898224552004, rank prediction = 1489 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14212, atomId = 4603, opReactId = 1978 rxnConditionsId= 1, smi = C[CH:1]=CO target = 1, prediction = 0.899529301536, rank prediction = 1491 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9552, atomId = 1628, opReactId = 1556 rxnConditionsId= 1, smi = C1C(O1)C[OH:1] target = 1, prediction = 0.905221550542, rank prediction = 1495 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3040, atomId = 4866, opReactId = 1841 rxnConditionsId= 3, smi = CC[NH:1]C(C)(C)[OH2+] target = 1, prediction = 0.906962171999, rank prediction = 1496 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13514, atomId = 2099, opReactId = 1616 rxnConditionsId= 3, smi = C[OH:1] target = 1, prediction = 0.910389012291, rank prediction = 1498 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9511, atomId = 12439, opReactId = 2890 rxnConditionsId= 1, smi = [NH2:1]O target = 1, prediction = 0.917009799824, rank prediction = 1501 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3012, atomId = 12998, opReactId = 2935 rxnConditionsId= 2, smi = CC[OH+]C(C(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.92137000575, rank prediction = 1503 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5447, atomId = 3393, opReactId = 1730 rxnConditionsId= 1, smi = CCOC(CCC(=O)NC)([OH:1])[OH+]C target = 1, prediction = 0.925560542228, rank prediction = 1504 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10188, atomId = 8035, opReactId = 2373 rxnConditionsId= 3, smi = C[N-:1]C target = 1, prediction = 0.925642899277, rank prediction = 1505 isPredictedFilled = True, isPredictedUnfilled = False