Worst predictions : D4H20_fi_e131_s4_lowestPos.txt

rAtomId = 10744, atomId = 8263, opReactId = 2401 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N target = 1, prediction = 0.107717766983, rank prediction = 1368 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.189405662608, rank prediction = 1430 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.194632484523, rank prediction = 1433 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5593, atomId = 2942, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.20021646034, rank prediction = 1437 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8088, atomId = 2942, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.205309149326, rank prediction = 1441 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4953, atomId = 2484, opReactId = 1501 rxnConditionsId= 1, smi = CC1(CCC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.32788492085, rank prediction = 1494 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8085, atomId = 2946, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.356460772274, rank prediction = 1504 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5589, atomId = 2946, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.35854292953, rank prediction = 1505 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1532, atomId = 5249, opReactId = 2054 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[OH+]CC[O:1]4)O target = 1, prediction = 0.363876037235, rank prediction = 1508 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4950, atomId = 3826, opReactId = 1905 rxnConditionsId= 1, smi = CCC#[N:1] target = 1, prediction = 0.36780998947, rank prediction = 1510 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6434, atomId = 4504, opReactId = 1953 rxnConditionsId= 1, smi = CC#[N:1] target = 1, prediction = 0.424713361229, rank prediction = 1528 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10842, atomId = 3154, opReactId = 1678 rxnConditionsId= 1, smi = C[C:1](=Cc1ccccc1)C target = 1, prediction = 0.496237583615, rank prediction = 1545 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12210, atomId = 4256, opReactId = 1929 rxnConditionsId= 1, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.521978617477, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2462, atomId = 3826, opReactId = 1905 rxnConditionsId= 2, smi = CCC#[N:1] target = 1, prediction = 0.543541845381, rank prediction = 1556 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3994, atomId = 4504, opReactId = 1953 rxnConditionsId= 2, smi = CC#[N:1] target = 1, prediction = 0.599242985518, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9599, atomId = 4256, opReactId = 1929 rxnConditionsId= 2, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.693695876534, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18675, atomId = 2138, opReactId = 1635 rxnConditionsId= 1, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.713039343243, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1213, atomId = 11172, opReactId = 2757 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC(C(C)C)Cl target = 1, prediction = 0.730377928734, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3651, atomId = 2371, opReactId = 1654 rxnConditionsId= 1, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.765843254933, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14891, atomId = 1043, opReactId = 1553 rxnConditionsId= 1, smi = CC(=O)C[CH:1](c1ccccc1)[OH2+] target = 1, prediction = 0.768375287376, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5274, atomId = 2507, opReactId = 1622 rxnConditionsId= 1, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.771742351187, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6176, atomId = 13115, opReactId = 2951 rxnConditionsId= 2, smi = CC[OH+]C(C(Cc1ccccc1)(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.774242399588, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.778281228446, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9747, atomId = 4952, opReactId = 2000 rxnConditionsId= 1, smi = C(C=O)[OH:1] target = 1, prediction = 0.796098385657, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13052, atomId = 2564, opReactId = 1665 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCCC[OH:1] target = 1, prediction = 0.796827988034, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8573, atomId = 2138, opReactId = 1635 rxnConditionsId= 2, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.833647485332, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.834908298736, rank prediction = 1627 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2144, atomId = 5483, opReactId = 2073 rxnConditionsId= 1, smi = CC[OH+]C(C)(C)[O:1]CC target = 1, prediction = 0.845435015303, rank prediction = 1630 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8805, atomId = 5007, opReactId = 2033 rxnConditionsId= 2, smi = C[CH:1](CC(C)O)[OH2+] target = 1, prediction = 0.850175170468, rank prediction = 1633 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14271, atomId = 3018, opReactId = 1796 rxnConditionsId= 1, smi = CC1C([OH+]1)CCCC[OH:1] target = 1, prediction = 0.856441210151, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False