Worst predictions : D4H20_fi_e130_s9_lowestPos.txt

rAtomId = 4051, atomId = 8256, opReactId = 2408 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N(C)C target = 1, prediction = 0.103630982872, rank prediction = 1541 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.190348836906, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13791, atomId = 10474, opReactId = 2677 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC[NH2:1] target = 1, prediction = 0.279141402527, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13003, atomId = 12549, opReactId = 2842 rxnConditionsId= 2, smi = COc1cc[cH:1]c(c1)[N+](=O)[O-] target = 1, prediction = 0.368515939143, rank prediction = 1677 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.564426444644, rank prediction = 1734 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2239, atomId = 15390, opReactId = 3175 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+]2)[O-:1] target = 1, prediction = 0.578037426164, rank prediction = 1738 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18572, atomId = 6076, opReactId = 2158 rxnConditionsId= 1, smi = C[CH:1](c1ccccc1)Br target = 1, prediction = 0.592146167122, rank prediction = 1742 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2907, atomId = 1608, opReactId = 1690 rxnConditionsId= 1, smi = C=CC=[O:1] target = 1, prediction = 0.616440658548, rank prediction = 1748 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18376, atomId = 8211, opReactId = 2389 rxnConditionsId= 3, smi = CCNC[CH:1]=C[N-]C target = 1, prediction = 0.625815205022, rank prediction = 1752 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3651, atomId = 2371, opReactId = 1654 rxnConditionsId= 1, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.740359664323, rank prediction = 1770 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.743626461867, rank prediction = 1771 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7964, atomId = 2707, opReactId = 1770 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC[C+](C)C)C target = 1, prediction = 0.771036569594, rank prediction = 1776 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13669, atomId = 2371, opReactId = 1654 rxnConditionsId= 2, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.842135117355, rank prediction = 1790 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14342, atomId = 4137, opReactId = 1898 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)Br target = 1, prediction = 0.858862288207, rank prediction = 1794 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3105, atomId = 1733, opReactId = 1573 rxnConditionsId= 1, smi = COc1[cH:1]cc2ccccc2c1Br target = 1, prediction = 0.860680796261, rank prediction = 1795 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12809, atomId = 5518, opReactId = 2083 rxnConditionsId= 2, smi = C1CCC2(C1)CCC[CH:1]2[OH2+] target = 1, prediction = 0.867047221306, rank prediction = 1796 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5968, atomId = 11349, opReactId = 2799 rxnConditionsId= 3, smi = CCC(C)[OH:1] target = 1, prediction = 0.872508348259, rank prediction = 1797 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9945, atomId = 5296, opReactId = 2055 rxnConditionsId= 3, smi = CCNC(C)[OH:1] target = 1, prediction = 0.874684900916, rank prediction = 1798 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2905, atomId = 5023, opReactId = 2014 rxnConditionsId= 2, smi = CC[C:1](C)(C)[OH2+] target = 1, prediction = 0.876426355515, rank prediction = 1799 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1202, atomId = 10297, opReactId = 2660 rxnConditionsId= 3, smi = CC=CC1CCCC(C1[NH2:1])C target = 1, prediction = 0.881185287352, rank prediction = 1800 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7839, atomId = 3493, opReactId = 1850 rxnConditionsId= 1, smi = CCOC(=O)CC(O)(O)[O:1]CC target = 1, prediction = 0.882709408293, rank prediction = 1802 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9527, atomId = 1618, opReactId = 1479 rxnConditionsId= 1, smi = CC1C([O:1]1)(C)C target = 1, prediction = 0.884720021364, rank prediction = 1803 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4419, atomId = 2097, opReactId = 1732 rxnConditionsId= 1, smi = CC1(C[O:1]1)C target = 1, prediction = 0.888610077212, rank prediction = 1805 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1117, atomId = 4584, opReactId = 1839 rxnConditionsId= 1, smi = C[C+](C)CCC[OH:1] target = 1, prediction = 0.89263574671, rank prediction = 1806 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17455, atomId = 8979, opReactId = 2480 rxnConditionsId= 3, smi = CC[N:1](CC)C(C)(C#CC)[OH2+] target = 1, prediction = 0.893672687193, rank prediction = 1807 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14902, atomId = 7594, opReactId = 2332 rxnConditionsId= 3, smi = CC(=[NH:1])[O-] target = 1, prediction = 0.899306630795, rank prediction = 1808 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2401, atomId = 2421, opReactId = 1535 rxnConditionsId= 1, smi = CCC1CCC(=[CH:1]1)C target = 1, prediction = 0.900013004154, rank prediction = 1809 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5447, atomId = 3393, opReactId = 1730 rxnConditionsId= 1, smi = CCOC(CCC(=O)NC)([OH:1])[OH+]C target = 1, prediction = 0.904830847812, rank prediction = 1810 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9493, atomId = 12420, opReactId = 2878 rxnConditionsId= 2, smi = CC[OH+]C(C(C)C(=O)OCC)([OH:1])O target = 1, prediction = 0.908553868008, rank prediction = 1812 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13136, atomId = 2032, opReactId = 1718 rxnConditionsId= 1, smi = CCC([NH:1]CC)[NH+](C)C target = 1, prediction = 0.91229840941, rank prediction = 1813 isPredictedFilled = True, isPredictedUnfilled = False