Worst predictions : D4H0_fi_e127_s2_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 = 0.00648171193266, rank prediction = 387 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6742, atomId = 3914, opReactId = 1917 rxnConditionsId= 8, smi = CCC(=[O:1])C target = 1, prediction = 0.109498474704, rank prediction = 1374 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4953, atomId = 2484, opReactId = 1501 rxnConditionsId= 1, smi = CC1(CCC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.18264546339, rank prediction = 1475 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.223213989841, rank prediction = 1520 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7735, atomId = 3734, opReactId = 1813 rxnConditionsId= 1, smi = CC(=[O:1])C=C target = 1, prediction = 0.248851216125, rank prediction = 1542 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17977, atomId = 15352, opReactId = 3169 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.317295455743, rank prediction = 1597 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12228, atomId = 9181, opReactId = 2511 rxnConditionsId= 3, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.319977036926, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17992, atomId = 5798, opReactId = 2114 rxnConditionsId= 6, smi = Cc1cccc([c-:1]1)N target = 1, prediction = 0.394879065778, rank prediction = 1650 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.433884293366, rank prediction = 1669 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6910, atomId = 9181, opReactId = 2511 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.463743663099, rank prediction = 1684 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2520, atomId = 2333, opReactId = 1603 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.536098894069, rank prediction = 1721 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1324, atomId = 12162, opReactId = 2862 rxnConditionsId= 2, smi = COc1[cH:1]cc(cc1)CBr target = 1, prediction = 0.540188224509, rank prediction = 1726 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2388, atomId = 8813, opReactId = 2468 rxnConditionsId= 1, smi = CC(C)[CH:1](C)Br target = 1, prediction = 0.582101401016, rank prediction = 1744 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15931, atomId = 1453, opReactId = 1520 rxnConditionsId= 1, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.590989061811, rank prediction = 1750 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10132, atomId = 2333, opReactId = 1603 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.625142684126, rank prediction = 1770 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15935, atomId = 1463, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.629456802194, rank prediction = 1772 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15930, atomId = 1459, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.648401393905, rank prediction = 1777 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.649948732252, rank prediction = 1780 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5274, atomId = 2507, opReactId = 1622 rxnConditionsId= 1, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.653684287292, rank prediction = 1781 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10542, atomId = 12168, opReactId = 2848 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2Br target = 1, prediction = 0.654217081542, rank prediction = 1782 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4438, atomId = 2532, opReactId = 1615 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.659299102979, rank prediction = 1783 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 = 0.665815601055, rank prediction = 1785 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18340, atomId = 1453, opReactId = 1520 rxnConditionsId= 2, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.675867093694, rank prediction = 1788 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13186, atomId = 3533, opReactId = 1739 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.684220581926, rank prediction = 1796 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18352, atomId = 1463, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.710265611878, rank prediction = 1802 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5260, atomId = 2502, opReactId = 1622 rxnConditionsId= 1, smi = CC(=O)c1ccc2[cH:1]cccc2c1 target = 1, prediction = 0.711531236774, rank prediction = 1804 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18333, atomId = 1459, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.726871423389, rank prediction = 1809 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15261, atomId = 2507, opReactId = 1622 rxnConditionsId= 2, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.731463578018, rank prediction = 1812 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12059, atomId = 2532, opReactId = 1615 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.736326017031, rank prediction = 1813 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13172, atomId = 3548, opReactId = 1739 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C#N target = 1, prediction = 0.739007935649, rank prediction = 1814 isPredictedFilled = True, isPredictedUnfilled = False