Worst predictions : D4H10_fi_e134_s2_lowestPos.txt

rAtomId = 12228, atomId = 9181, opReactId = 2511 rxnConditionsId= 3, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.14119318144, rank prediction = 1372 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6910, atomId = 9181, opReactId = 2511 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.261644731968, rank prediction = 1439 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13003, atomId = 12549, opReactId = 2842 rxnConditionsId= 2, smi = COc1cc[cH:1]c(c1)[N+](=O)[O-] target = 1, prediction = 0.33623509841, rank prediction = 1475 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9278, atomId = 12787, opReactId = 2921 rxnConditionsId= 2, smi = C[CH+][CH2:1]Oc1ccccc1 target = 1, prediction = 0.393534503005, rank prediction = 1492 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 = 0.418815475016, rank prediction = 1508 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13884, atomId = 3399, opReactId = 1737 rxnConditionsId= 1, smi = C[CH+][CH:1]=C target = 1, prediction = 0.428051772298, rank prediction = 1510 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17485, atomId = 2061, opReactId = 1717 rxnConditionsId= 1, smi = c1c[cH:1]c(cc1)CBr target = 1, prediction = 0.435028672474, rank prediction = 1515 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16253, atomId = 8635, opReactId = 2445 rxnConditionsId= 6, smi = c1cc([c-:1]nc1)N target = 1, prediction = 0.478306033623, rank prediction = 1532 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17472, atomId = 2056, opReactId = 1717 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)CBr target = 1, prediction = 0.479724673568, rank prediction = 1533 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14023, atomId = 3465, opReactId = 1870 rxnConditionsId= 1, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.529294262675, rank prediction = 1548 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.552891694556, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14834, atomId = 2061, opReactId = 1717 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CBr target = 1, prediction = 0.590851302249, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13052, atomId = 2564, opReactId = 1665 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCCC[OH:1] target = 1, prediction = 0.628578172706, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14826, atomId = 2056, opReactId = 1717 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CBr target = 1, prediction = 0.632372415984, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3856, atomId = 2647, opReactId = 1762 rxnConditionsId= 1, smi = C=CC[OH:1] target = 1, prediction = 0.63824580841, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18376, atomId = 8211, opReactId = 2389 rxnConditionsId= 3, smi = CCNC[CH:1]=C[N-]C target = 1, prediction = 0.646399012018, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6478, atomId = 3465, opReactId = 1870 rxnConditionsId= 2, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.676883893942, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.677139580877, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9747, atomId = 4952, opReactId = 2000 rxnConditionsId= 1, smi = C(C=O)[OH:1] target = 1, prediction = 0.742578176658, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14891, atomId = 1043, opReactId = 1553 rxnConditionsId= 1, smi = CC(=O)C[CH:1](c1ccccc1)[OH2+] target = 1, prediction = 0.753455230843, rank prediction = 1605 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16274, atomId = 5767, opReactId = 2118 rxnConditionsId= 1, smi = CC(=O)OC(C=C)([OH:1])O target = 1, prediction = 0.785871743119, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3850, atomId = 2644, opReactId = 1762 rxnConditionsId= 1, smi = [CH2:1]=CCO target = 1, prediction = 0.791248606752, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8731, atomId = 4404, opReactId = 1811 rxnConditionsId= 1, smi = CC(C)([OH:1])Br target = 1, prediction = 0.800445328648, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7746, atomId = 3234, opReactId = 1689 rxnConditionsId= 1, smi = CC(=O)CCC=[O+]CC[OH:1] target = 1, prediction = 0.806475071313, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.836823612287, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17998, atomId = 11156, opReactId = 2759 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C target = 1, prediction = 0.85009728039, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10354, atomId = 1883, opReactId = 1705 rxnConditionsId= 3, smi = CC1CCCCC1([N:1]2CCCC2)[OH2+] target = 1, prediction = 0.855597214797, rank prediction = 1624 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14586, atomId = 4743, opReactId = 1969 rxnConditionsId= 1, smi = C[C+](C)CCCC[OH:1] target = 1, prediction = 0.858653980341, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4584, atomId = 9793, opReactId = 2576 rxnConditionsId= 1, smi = C[C-:1](C#N)Br target = 1, prediction = 0.862717544927, rank prediction = 1627 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1550, atomId = 10868, opReactId = 2720 rxnConditionsId= 1, smi = CC(C)[C:1](C)(Cc1ccccc1)Br target = 1, prediction = 0.89267803832, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = True