Worst predictions : D4H0_fi_e125_s0_lowestPos.txt

rAtomId = 7123, atomId = 11986, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.00585338981154, rank prediction = 292 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6693, atomId = 5631, opReactId = 2091 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.134041836384, rank prediction = 1261 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9721, atomId = 6958, opReactId = 2258 rxnConditionsId= 3, smi = CCOC1([CH:1]=C[C-](C=C1)[N+](=O)[O-])I target = 1, prediction = 0.199525243856, rank prediction = 1331 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9501, atomId = 5631, opReactId = 2091 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.234791275095, rank prediction = 1369 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16253, atomId = 8635, opReactId = 2445 rxnConditionsId= 6, smi = c1cc([c-:1]nc1)N target = 1, prediction = 0.344666475863, rank prediction = 1445 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4051, atomId = 8256, opReactId = 2408 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N(C)C target = 1, prediction = 0.380421006984, rank prediction = 1472 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 = 0.526850349253, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2039, atomId = 1534, opReactId = 1491 rxnConditionsId= 1, smi = [CH2:1]=CCBr target = 1, prediction = 0.555974570344, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15910, atomId = 12793, opReactId = 2926 rxnConditionsId= 2, smi = [CH2:1]=CCCCOc1ccccc1 target = 1, prediction = 0.559225539434, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17579, atomId = 4706, opReactId = 1979 rxnConditionsId= 1, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.571342314326, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6054, atomId = 4969, opReactId = 2011 rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+] target = 1, prediction = 0.571656928559, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.573982450662, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12210, atomId = 4256, opReactId = 1929 rxnConditionsId= 1, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.595035786228, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18675, atomId = 2138, opReactId = 1635 rxnConditionsId= 1, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.600423206983, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4005, atomId = 4411, opReactId = 1842 rxnConditionsId= 1, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.654044388775, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4004, atomId = 4413, opReactId = 1842 rxnConditionsId= 1, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.65783505927, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7477, atomId = 4706, opReactId = 1979 rxnConditionsId= 2, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.658307958809, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6395, atomId = 9223, opReactId = 2528 rxnConditionsId= 3, smi = CCC(=[N-:1])C#CC target = 1, prediction = 0.666876202912, rank prediction = 1620 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10542, atomId = 12168, opReactId = 2848 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2Br target = 1, prediction = 0.673270635199, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9599, atomId = 4256, opReactId = 1929 rxnConditionsId= 2, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.679887742061, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2601, atomId = 2006, opReactId = 1720 rxnConditionsId= 1, smi = [cH:1]1ccccc1 target = 1, prediction = 0.684172359489, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8573, atomId = 2138, opReactId = 1635 rxnConditionsId= 2, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.684744400628, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13186, atomId = 3533, opReactId = 1739 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.69473654887, rank prediction = 1631 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14342, atomId = 4137, opReactId = 1898 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)Br target = 1, prediction = 0.695089888181, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9018, atomId = 3151, opReactId = 1768 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC=C(C)C)C target = 1, prediction = 0.717438814339, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14029, atomId = 4411, opReactId = 1842 rxnConditionsId= 2, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.732098924956, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14028, atomId = 4413, opReactId = 1842 rxnConditionsId= 2, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.735380369957, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7054, atomId = 12394, opReactId = 2881 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2[N+](=O)[O-] target = 1, prediction = 0.735710685517, rank prediction = 1644 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13172, atomId = 3548, opReactId = 1739 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C#N target = 1, prediction = 0.741585316449, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5090, atomId = 2006, opReactId = 1720 rxnConditionsId= 2, smi = [cH:1]1ccccc1 target = 1, prediction = 0.757945093931, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False