Worst predictions : D4H0_un_e133_s5_lowestPos.txt

rAtomId = 14511, atomId = 5743, opReactId = 2110 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br target = 1, prediction = 0.0303460898822, rank prediction = 600 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.100194099331, rank prediction = 996 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.21229003251, rank prediction = 1223 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.29681361969, rank prediction = 1314 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11251, atomId = 13976, opReactId = 3040 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCC(=O)OCC target = 1, prediction = 0.36863474856, rank prediction = 1355 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6731, atomId = 6614, opReactId = 2242 rxnConditionsId= 1, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.389979631424, rank prediction = 1365 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5508, atomId = 11668, opReactId = 2830 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH2+:1]C([O-])(OCC2c3ccccc3-c4c2cccc4)ON5C(=O)CCC5=O target = 1, prediction = 0.441695297608, rank prediction = 1392 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.456421173155, rank prediction = 1404 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.468387245581, rank prediction = 1412 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1633, atomId = 6614, opReactId = 2242 rxnConditionsId= 3, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.475717649316, rank prediction = 1415 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.496725435261, rank prediction = 1426 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 = 0.515015363148, rank prediction = 1436 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5796, atomId = 9145, opReactId = 2506 rxnConditionsId= 1, smi = [CH3:1]C(=O)N(C)C target = 1, prediction = 0.525758338377, rank prediction = 1443 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.53779378433, rank prediction = 1450 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1590, atomId = 7253, opReactId = 2288 rxnConditionsId= 3, smi = [CH2:1]=CBr target = 1, prediction = 0.55619352284, rank prediction = 1461 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10458, atomId = 3344, opReactId = 1699 rxnConditionsId= 1, smi = CC1CCCC[C:1]1=O target = 1, prediction = 0.58075985959, rank prediction = 1479 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14950, atomId = 7579, opReactId = 2323 rxnConditionsId= 3, smi = CC#C[C:1](=O)C target = 1, prediction = 0.600068693277, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18457, atomId = 9145, opReactId = 2506 rxnConditionsId= 3, smi = [CH3:1]C(=O)N(C)C target = 1, prediction = 0.611427498485, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15353, atomId = 3123, opReactId = 1800 rxnConditionsId= 6, smi = CC(=[CH2:1])Br target = 1, prediction = 0.629488528614, rank prediction = 1500 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5334, atomId = 10166, opReactId = 2626 rxnConditionsId= 3, smi = [CH3:1]I target = 1, prediction = 0.629856222058, rank prediction = 1501 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8742, atomId = 1321, opReactId = 1660 rxnConditionsId= 1, smi = C[CH2:1][CH+]OC target = 1, prediction = 0.629888558676, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3687, atomId = 14202, opReactId = 3059 rxnConditionsId= 1, smi = C[CH:1]1C(=O)CCC2(C1(CCCC2)O)C target = 1, prediction = 0.646173993586, rank prediction = 1512 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1335, atomId = 13867, opReactId = 3019 rxnConditionsId= 1, smi = C1C[CH2:1]C(=O)C1 target = 1, prediction = 0.655638234943, rank prediction = 1515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15801, atomId = 3344, opReactId = 1699 rxnConditionsId= 3, smi = CC1CCCC[C:1]1=O target = 1, prediction = 0.66286444688, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181 rxnConditionsId= 1, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.670449473883, rank prediction = 1519 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17928, atomId = 7149, opReactId = 2274 rxnConditionsId= 3, smi = C[C:1](C=C(c1ccc(cc1)I)[O-])(c2ccc(cc2)I)O target = 1, prediction = 0.679993122913, rank prediction = 1520 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9689, atomId = 5912, opReactId = 2135 rxnConditionsId= 1, smi = CC1C[C:1]1=O target = 1, prediction = 0.687777831255, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6318, atomId = 5636, opReactId = 2094 rxnConditionsId= 6, smi = C1=C[CH:1]([N-]C=C1)N target = 1, prediction = 0.689108360317, rank prediction = 1526 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4622, atomId = 10424, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)O[C:1](=O)CCCN target = 1, prediction = 0.713049626048, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9534, atomId = 10989, opReactId = 2736 rxnConditionsId= 1, smi = CCC1CC[CH2:1][C+](C1)C target = 1, prediction = 0.71777608717, rank prediction = 1531 isPredictedFilled = False, isPredictedUnfilled = True