Worst predictions : D4H20_fi_e127_s5_lowestPos.txt

rAtomId = 10145, atomId = 5551, opReactId = 2092 rxnConditionsId= 3, smi = c1cc[n:1]cc1 target = 1, prediction = 0.0275371507621, rank prediction = 1154 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7523, atomId = 5545, opReactId = 2092 rxnConditionsId= 2, smi = c1[cH:1]cncc1 target = 1, prediction = 0.0899455026048, rank prediction = 1336 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.191565322726, rank prediction = 1431 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4630, atomId = 10429, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:1] target = 1, prediction = 0.391847597976, rank prediction = 1508 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14574, atomId = 1026, opReactId = 1513 rxnConditionsId= 1, smi = C[C:1]#CC target = 1, prediction = 0.39540564357, rank prediction = 1511 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2572, atomId = 5322, opReactId = 2052 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[O:1]CCO4)O target = 1, prediction = 0.425420577109, rank prediction = 1520 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.546978702265, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2667, atomId = 12147, opReactId = 2845 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2 target = 1, prediction = 0.560723539147, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.594927744174, rank prediction = 1563 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.605059815655, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15813, atomId = 4608, opReactId = 1983 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.662744635843, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12210, atomId = 4256, opReactId = 1929 rxnConditionsId= 1, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.665226454066, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8644, atomId = 4996, opReactId = 2002 rxnConditionsId= 1, smi = C(C=O)[O:1]C(CO)[OH2+] target = 1, prediction = 0.690852164634, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4562, atomId = 8570, opReactId = 2441 rxnConditionsId= 6, smi = c1cnc[c-:1]c1N target = 1, prediction = 0.695880705638, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14642, atomId = 12541, opReactId = 2903 rxnConditionsId= 1, smi = CC([NH:1]O)[OH2+] target = 1, prediction = 0.708904166365, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13779, atomId = 8801, opReactId = 2479 rxnConditionsId= 3, smi = CCN(CC)C(C)(C#CC)[OH:1] target = 1, prediction = 0.715196879238, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17704, atomId = 10809, opReactId = 2715 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC=C(C)C target = 1, prediction = 0.76195114622, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2674, atomId = 3123, opReactId = 1800 rxnConditionsId= 1, smi = CC(=[CH2:1])Br target = 1, prediction = 0.770067616798, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8009, atomId = 4015, opReactId = 1915 rxnConditionsId= 1, smi = COC(=O)C1CCC(=[O+]CC[OH:1])CC1 target = 1, prediction = 0.776558143049, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7964, atomId = 2707, opReactId = 1770 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC[C+](C)C)C target = 1, prediction = 0.782153294516, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5698, atomId = 4608, opReactId = 1983 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.790289235144, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9599, atomId = 4256, opReactId = 1929 rxnConditionsId= 2, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.793925340175, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15809, atomId = 4616, opReactId = 1983 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.817114209885, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4883, atomId = 11464, opReactId = 2795 rxnConditionsId= 6, smi = [C-:1]#CCO target = 1, prediction = 0.846384943374, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8805, atomId = 5007, opReactId = 2033 rxnConditionsId= 2, smi = C[CH:1](CC(C)O)[OH2+] target = 1, prediction = 0.84650422971, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2165, atomId = 8415, opReactId = 2437 rxnConditionsId= 3, smi = [CH2:1]=CN1CCCCC1 target = 1, prediction = 0.852535618993, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.854810312857, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6709, atomId = 6060, opReactId = 2162 rxnConditionsId= 1, smi = CC[O:1]C(C=C)(O)O target = 1, prediction = 0.859237703885, rank prediction = 1628 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 = 0.864030560753, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9494, atomId = 3873, opReactId = 1892 rxnConditionsId= 1, smi = C1C([OH+]1)CCCC[OH:1] target = 1, prediction = 0.88073060324, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False