Worst predictions : D4H10_fi_e131_s2_lowestPos.txt

rAtomId = 6693, atomId = 5631, opReactId = 2091 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.019062959455, rank prediction = 1157 isPredictedFilled = True, isPredictedUnfilled = False

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 = 0.0264082915031, rank prediction = 1209 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 = 0.0527040015976, rank prediction = 1304 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11236, atomId = 6011, opReactId = 2155 rxnConditionsId= 3, smi = CC(=[O:1])[O-] target = 1, prediction = 0.0553738042388, rank prediction = 1311 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6019, atomId = 6011, opReactId = 2155 rxnConditionsId= 1, smi = CC(=[O:1])[O-] target = 1, prediction = 0.120331215924, rank prediction = 1412 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.16695827252, rank prediction = 1449 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.208907063185, rank prediction = 1475 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3385, atomId = 11779, opReactId = 2818 rxnConditionsId= 3, smi = CCC(=O)[OH:1] target = 1, prediction = 0.356878871631, rank prediction = 1531 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.392406581278, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4630, atomId = 10429, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:1] target = 1, prediction = 0.397691583106, rank prediction = 1540 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.415676274901, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14965, atomId = 8774, opReactId = 2462 rxnConditionsId= 1, smi = CC(c1ccccc1)[CH:1](C)Br target = 1, prediction = 0.463486987624, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.514070124519, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13566, atomId = 11045, opReactId = 2744 rxnConditionsId= 1, smi = C[CH:1](CO)Br target = 1, prediction = 0.549667637928, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9579, atomId = 3201, opReactId = 1818 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)Br target = 1, prediction = 0.564909639801, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6842, atomId = 1225, opReactId = 1655 rxnConditionsId= 1, smi = C[O:1]CC=C target = 1, prediction = 0.590674737913, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14520, atomId = 13190, opReactId = 2949 rxnConditionsId= 2, smi = CCOC(=O)C(Cc1ccccc1)(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.599759963845, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11658, atomId = 5378, opReactId = 2066 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)([OH:1])[OH+]CCO)O target = 1, prediction = 0.614329065806, rank prediction = 1594 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1919, atomId = 3201, opReactId = 1818 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)Br target = 1, prediction = 0.697700484168, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17704, atomId = 10809, opReactId = 2715 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC=C(C)C target = 1, prediction = 0.717261094649, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6709, atomId = 6060, opReactId = 2162 rxnConditionsId= 1, smi = CC[O:1]C(C=C)(O)O target = 1, prediction = 0.735702388533, rank prediction = 1615 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3856, atomId = 2647, opReactId = 1762 rxnConditionsId= 1, smi = C=CC[OH:1] target = 1, prediction = 0.739764042355, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9581, atomId = 3203, opReactId = 1818 rxnConditionsId= 1, smi = c1c[cH:1]c(cc1)Br target = 1, prediction = 0.741344208702, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6837, atomId = 1228, opReactId = 1655 rxnConditionsId= 1, smi = COCC=[CH2:1] target = 1, prediction = 0.744159593195, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.745705385411, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.750181733711, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11137, atomId = 3576, opReactId = 1851 rxnConditionsId= 1, smi = CC[O:1]C(CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.765463423092, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3850, atomId = 2644, opReactId = 1762 rxnConditionsId= 1, smi = [CH2:1]=CCO target = 1, prediction = 0.78165027583, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4983, atomId = 7855, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCCC([CH:1]1Cl)C target = 1, prediction = 0.804146991951, rank prediction = 1633 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14342, atomId = 4137, opReactId = 1898 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)Br target = 1, prediction = 0.806542715366, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False