Worst predictions : D4H0_fi_e131_s9_lowestPos.txt

rAtomId = 6614, atomId = 1406, opReactId = 1596 rxnConditionsId= 8, smi = CC=[O:1] target = 1, prediction = 0.221598978922, rank prediction = 1331 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10729, atomId = 3394, opReactId = 1736 rxnConditionsId= 1, smi = [CH2:1]=CC=C target = 1, prediction = 0.289419702353, rank prediction = 1385 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12102, atomId = 8522, opReactId = 2424 rxnConditionsId= 3, smi = C1=[CH:1]C(C=C[C-]1[N+](=O)[O-])(C#N)I target = 1, prediction = 0.293545405266, rank prediction = 1390 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7735, atomId = 3734, opReactId = 1813 rxnConditionsId= 1, smi = CC(=[O:1])C=C target = 1, prediction = 0.298683832443, rank prediction = 1393 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3188, atomId = 10936, opReactId = 2725 rxnConditionsId= 1, smi = C=[CH:1][CH+]c1ccccc1 target = 1, prediction = 0.342506535503, rank prediction = 1437 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18539, atomId = 4985, opReactId = 2017 rxnConditionsId= 2, smi = [CH3:1]C1(CCC[CH+]1)C target = 1, prediction = 0.361491847164, 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 = 0.406552472077, rank prediction = 1478 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4562, atomId = 8570, opReactId = 2441 rxnConditionsId= 6, smi = c1cnc[c-:1]c1N target = 1, prediction = 0.410611112817, rank prediction = 1480 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9642, atomId = 5890, opReactId = 2141 rxnConditionsId= 3, smi = COc1cc[cH:1]cc1 target = 1, prediction = 0.482078250637, rank prediction = 1511 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.489976993341, rank prediction = 1514 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.517498796419, rank prediction = 1523 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2039, atomId = 1534, opReactId = 1491 rxnConditionsId= 1, smi = [CH2:1]=CCBr target = 1, prediction = 0.53695267671, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6154, atomId = 12803, opReactId = 2942 rxnConditionsId= 2, smi = [CH2:1]=CCCOc1ccccc1 target = 1, prediction = 0.56754015729, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1286, atomId = 11946, opReactId = 2831 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC([O-:1])(OCC2c3ccccc3-c4c2cccc4)ON5C(=O)CCC5=O target = 1, prediction = 0.598204861302, rank prediction = 1563 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5462, atomId = 13330, opReactId = 2978 rxnConditionsId= 2, smi = [CH2:1]=CCCc1ccccc1 target = 1, prediction = 0.598229789924, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18259, atomId = 2452, opReactId = 1542 rxnConditionsId= 1, smi = CC(C)(C)C=[CH2:1] target = 1, prediction = 0.607171144426, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13330, atomId = 3940, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.611144000685, rank prediction = 1572 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3925, atomId = 9136, opReactId = 2488 rxnConditionsId= 3, smi = CC(=O)CCC=C=[N-:1] target = 1, prediction = 0.61160124088, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13325, atomId = 3936, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.612998836324, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16015, atomId = 3927, opReactId = 1900 rxnConditionsId= 2, smi = [CH2:1]=CCc1ccccc1 target = 1, prediction = 0.624910320232, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17998, atomId = 11156, opReactId = 2759 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C target = 1, prediction = 0.659906466103, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10669, atomId = 2232, opReactId = 1619 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.669259000242, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9177, atomId = 1907, opReactId = 1710 rxnConditionsId= 1, smi = CC=C[N:1](C)C target = 1, prediction = 0.675932465905, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14351, atomId = 10787, opReactId = 2714 rxnConditionsId= 1, smi = CC(C)[CH:1](CC=C(C)C)Cl target = 1, prediction = 0.677394860347, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10651, atomId = 1231, opReactId = 1656 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C target = 1, prediction = 0.68497256688, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16009, atomId = 3940, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.688826944614, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16007, atomId = 3936, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.690498889459, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1457, atomId = 3188, opReactId = 1802 rxnConditionsId= 1, smi = CC[N:1](CC)C(C=C)(O)O target = 1, prediction = 0.704886011749, rank prediction = 1605 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10673, atomId = 2249, opReactId = 1619 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)[N+](=O)[O-] target = 1, prediction = 0.725273782721, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18363, atomId = 2232, opReactId = 1619 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.74026625677, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = False