Worst predictions : D4H20_fi_e125_s5_lowestPos.txt

rAtomId = 16051, atomId = 10446, opReactId = 2673 rxnConditionsId= 3, smi = C(CC(=O)[OH:1])CN target = 1, prediction = 0.366750698426, rank prediction = 1445 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.446941684754, rank prediction = 1473 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12593, atomId = 3895, opReactId = 1893 rxnConditionsId= 1, smi = C[CH+]CCCCc1[cH:1]cccc1 target = 1, prediction = 0.520263368575, rank prediction = 1486 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18376, atomId = 8211, opReactId = 2389 rxnConditionsId= 3, smi = CCNC[CH:1]=C[N-]C target = 1, prediction = 0.54212824139, rank prediction = 1492 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2990, atomId = 2957, opReactId = 1727 rxnConditionsId= 1, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.627955528708, rank prediction = 1509 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18102, atomId = 8627, opReactId = 2444 rxnConditionsId= 6, smi = c1c[c-:1]c(nc1)N target = 1, prediction = 0.637358047559, rank prediction = 1513 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.674589195931, rank prediction = 1517 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.682389345969, rank prediction = 1519 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17210, atomId = 1347, opReactId = 1667 rxnConditionsId= 3, smi = C[N:1](C)c1ccccc1 target = 1, prediction = 0.68569281034, rank prediction = 1521 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10167, atomId = 3895, opReactId = 1893 rxnConditionsId= 2, smi = C[CH+]CCCCc1[cH:1]cccc1 target = 1, prediction = 0.690112856353, rank prediction = 1523 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17917, atomId = 7151, opReactId = 2274 rxnConditionsId= 3, smi = CC([CH:1]=C(c1ccc(cc1)I)[O-])(c2ccc(cc2)I)O target = 1, prediction = 0.709102134753, rank prediction = 1526 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14642, atomId = 12541, opReactId = 2903 rxnConditionsId= 1, smi = CC([NH:1]O)[OH2+] target = 1, prediction = 0.735064714967, rank prediction = 1528 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16369, atomId = 1101, opReactId = 1595 rxnConditionsId= 1, smi = C(C(C(C(C(C=[OH+])O)O)O)[OH:1])O target = 1, prediction = 0.751837429653, rank prediction = 1534 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4301, atomId = 3237, opReactId = 1688 rxnConditionsId= 1, smi = CC(=O)CCC([OH2+])[O:1]CCO target = 1, prediction = 0.754532687942, rank prediction = 1536 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.762038227322, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10536, atomId = 2957, opReactId = 1727 rxnConditionsId= 2, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.774666675322, rank prediction = 1542 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9747, atomId = 4952, opReactId = 2000 rxnConditionsId= 1, smi = C(C=O)[OH:1] target = 1, prediction = 0.793546488818, rank prediction = 1547 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.817933881117, rank prediction = 1554 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13482, atomId = 5593, opReactId = 2099 rxnConditionsId= 6, smi = [CH:1]1=C[N-]C=CC1(N)Cl target = 1, prediction = 0.832329841288, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10195, atomId = 4374, opReactId = 1933 rxnConditionsId= 1, smi = C=CC(=[O:1])O target = 1, prediction = 0.852265859496, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11482, atomId = 12883, opReactId = 2933 rxnConditionsId= 2, smi = CCOC(=O)C(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.855725778678, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1550, atomId = 10868, opReactId = 2720 rxnConditionsId= 1, smi = CC(C)[C:1](C)(Cc1ccccc1)Br target = 1, prediction = 0.858878760978, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11658, atomId = 5378, opReactId = 2066 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)([OH:1])[OH+]CCO)O target = 1, prediction = 0.859865411616, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7654, atomId = 5223, opReactId = 2049 rxnConditionsId= 1, smi = CCC([OH:1])O target = 1, prediction = 0.90013445261, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14198, atomId = 2062, opReactId = 1716 rxnConditionsId= 1, smi = CC[NH+](CC)C(C)[N:1](C)C target = 1, prediction = 0.907508068294, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2401, atomId = 2421, opReactId = 1535 rxnConditionsId= 1, smi = CCC1CCC(=[CH:1]1)C target = 1, prediction = 0.912099510925, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3628, atomId = 4549, opReactId = 1814 rxnConditionsId= 1, smi = CCNC(CCC(=O)OC(=O)C)([OH:1])Cl target = 1, prediction = 0.912350193549, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5365, atomId = 6486, opReactId = 2207 rxnConditionsId= 1, smi = CC1([OH+]CC[O:1]1)C target = 1, prediction = 0.912973304607, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4326, atomId = 8441, opReactId = 2415 rxnConditionsId= 3, smi = C[N-]C=[CH:1]CC#N target = 1, prediction = 0.920331040148, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7425, atomId = 3909, opReactId = 1887 rxnConditionsId= 1, smi = CCNC(CCC(=O)OCC)([OH:1])Cl target = 1, prediction = 0.9248188232, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False