Worst predictions : D4H10_fi_e125_s9_lowestPos.txt

rAtomId = 10145, atomId = 5551, opReactId = 2092 rxnConditionsId= 3, smi = c1cc[n:1]cc1 target = 1, prediction = 0.0319973813463, rank prediction = 1167 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7523, atomId = 5545, opReactId = 2092 rxnConditionsId= 2, smi = c1[cH:1]cncc1 target = 1, prediction = 0.0851959307703, rank prediction = 1301 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1914, atomId = 1762, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.107863558252, rank prediction = 1334 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4371, atomId = 1762, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.179511073406, rank prediction = 1400 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.230422175447, rank prediction = 1426 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.280564406834, rank prediction = 1454 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12623, atomId = 2623, opReactId = 1748 rxnConditionsId= 1, smi = C[C:1](=CCC[C+](C)C)C target = 1, prediction = 0.417527816564, rank prediction = 1495 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.458676288463, rank prediction = 1506 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17485, atomId = 2061, opReactId = 1717 rxnConditionsId= 1, smi = c1c[cH:1]c(cc1)CBr target = 1, prediction = 0.479474390507, rank prediction = 1512 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15768, atomId = 11168, opReactId = 2756 rxnConditionsId= 1, smi = CC(C)[CH:1](CC(C(C)C)Cl)Cl target = 1, prediction = 0.479877577597, rank prediction = 1513 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17472, atomId = 2056, opReactId = 1717 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)CBr target = 1, prediction = 0.507087611378, rank prediction = 1521 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17992, atomId = 5798, opReactId = 2114 rxnConditionsId= 6, smi = Cc1cccc([c-:1]1)N target = 1, prediction = 0.614869801704, rank prediction = 1543 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9738, atomId = 5618, opReactId = 2090 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.616534834716, rank prediction = 1547 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14834, atomId = 2061, opReactId = 1717 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CBr target = 1, prediction = 0.619556477531, rank prediction = 1548 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14826, atomId = 2056, opReactId = 1717 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CBr target = 1, prediction = 0.6446800594, rank prediction = 1556 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.676812250595, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.69931614531, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.700940955391, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1902, atomId = 1765, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.739043919801, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15453, atomId = 5093, opReactId = 2041 rxnConditionsId= 1, smi = C[N:1]=CC=C target = 1, prediction = 0.743697320084, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2907, atomId = 1608, opReactId = 1690 rxnConditionsId= 1, smi = C=CC=[O:1] target = 1, prediction = 0.781600272594, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16167, atomId = 1531, opReactId = 1527 rxnConditionsId= 1, smi = CCOC(=O)CCC(C)([OH2+])[O:1]CC target = 1, prediction = 0.809987711375, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.813431496811, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4360, atomId = 1765, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.830282470766, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5840, atomId = 5618, opReactId = 2090 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.834317060503, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.859953932874, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17199, atomId = 3637, opReactId = 1784 rxnConditionsId= 1, smi = C=CC([OH:1])(O)Cl target = 1, prediction = 0.874887701637, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7263, atomId = 1843, opReactId = 1581 rxnConditionsId= 1, smi = C[C:1]1(CCC(=O)C1)[OH2+] target = 1, prediction = 0.877168100091, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15147, atomId = 5060, opReactId = 2038 rxnConditionsId= 2, smi = C[CH:1](C1(CCCC1)C)[OH2+] target = 1, prediction = 0.882840449033, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18688, atomId = 2563, opReactId = 1774 rxnConditionsId= 3, smi = CC[NH:1]C(C)[OH2+] target = 1, prediction = 0.884215972957, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False