Worst predictions : D4H20_fi_e132_s9_lowestPos.txt

rAtomId = 18755, atomId = 8402, opReactId = 2417 rxnConditionsId= 3, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.0418748234527, rank prediction = 1271 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6032, atomId = 8402, opReactId = 2417 rxnConditionsId= 1, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.10033652491, rank prediction = 1385 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1914, atomId = 1762, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.105816763681, rank prediction = 1393 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10744, atomId = 8263, opReactId = 2401 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N target = 1, prediction = 0.127594138742, rank prediction = 1409 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4371, atomId = 1762, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.184237048352, rank prediction = 1439 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1324, atomId = 12162, opReactId = 2862 rxnConditionsId= 2, smi = COc1[cH:1]cc(cc1)CBr target = 1, prediction = 0.297366022447, rank prediction = 1491 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1729, atomId = 1564, opReactId = 1500 rxnConditionsId= 1, smi = C[C:1](=CCCC[C+](C)C)C target = 1, prediction = 0.312057215623, rank prediction = 1497 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16051, atomId = 10446, opReactId = 2673 rxnConditionsId= 3, smi = C(CC(=O)[OH:1])CN target = 1, prediction = 0.342644413401, rank prediction = 1508 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12413, atomId = 5353, opReactId = 2064 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)(O)[O:1]CCO)O target = 1, prediction = 0.386017464886, rank prediction = 1522 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13884, atomId = 3399, opReactId = 1737 rxnConditionsId= 1, smi = C[CH+][CH:1]=C target = 1, prediction = 0.459491618744, rank prediction = 1540 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14965, atomId = 8774, opReactId = 2462 rxnConditionsId= 1, smi = CC(c1ccccc1)[CH:1](C)Br target = 1, prediction = 0.493667938827, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2667, atomId = 12147, opReactId = 2845 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2 target = 1, prediction = 0.549724361108, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.576304491152, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3743, atomId = 2451, opReactId = 1543 rxnConditionsId= 1, smi = C[CH+]C([CH3:1])(C)C target = 1, prediction = 0.596638861543, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17917, atomId = 7151, opReactId = 2274 rxnConditionsId= 3, smi = CC([CH:1]=C(c1ccc(cc1)I)[O-])(c2ccc(cc2)I)O target = 1, prediction = 0.632569386279, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16642, atomId = 3935, opReactId = 1901 rxnConditionsId= 1, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.641917169489, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18376, atomId = 8211, opReactId = 2389 rxnConditionsId= 3, smi = CCNC[CH:1]=C[N-]C target = 1, prediction = 0.654242314096, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18040, atomId = 1830, opReactId = 1506 rxnConditionsId= 1, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.703092652814, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13052, atomId = 2564, opReactId = 1665 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCCC[OH:1] target = 1, prediction = 0.715726010985, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1902, atomId = 1765, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.758040417969, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7964, atomId = 2707, opReactId = 1770 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC[C+](C)C)C target = 1, prediction = 0.769260701153, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14202, atomId = 3935, opReactId = 1901 rxnConditionsId= 2, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.774164863552, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14891, atomId = 1043, opReactId = 1553 rxnConditionsId= 1, smi = CC(=O)C[CH:1](c1ccccc1)[OH2+] target = 1, prediction = 0.786089218536, rank prediction = 1620 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15994, atomId = 3101, opReactId = 1684 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])Cl target = 1, prediction = 0.78973131655, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16892, atomId = 1830, opReactId = 1506 rxnConditionsId= 2, smi = CC(C)c1cc[cH:1]cc1 target = 1, prediction = 0.818779491001, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14271, atomId = 3018, opReactId = 1796 rxnConditionsId= 1, smi = CC1C([OH+]1)CCCC[OH:1] target = 1, prediction = 0.852601000938, rank prediction = 1636 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4360, atomId = 1765, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.856296114336, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12326, atomId = 1344, opReactId = 1482 rxnConditionsId= 1, smi = CCC1(C[O:1]1)C target = 1, prediction = 0.856518213086, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2165, atomId = 8415, opReactId = 2437 rxnConditionsId= 3, smi = [CH2:1]=CN1CCCCC1 target = 1, prediction = 0.857837824628, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10195, atomId = 4374, opReactId = 1933 rxnConditionsId= 1, smi = C=CC(=[O:1])O target = 1, prediction = 0.860922850265, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False