Worst predictions : D4H10_fi_e132_s7_lowestPos.txt

rAtomId = 10145, atomId = 5551, opReactId = 2092 rxnConditionsId= 3, smi = c1cc[n:1]cc1 target = 1, prediction = 0.0242584041236, rank prediction = 1254 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7523, atomId = 5545, opReactId = 2092 rxnConditionsId= 2, smi = c1[cH:1]cncc1 target = 1, prediction = 0.0429362027795, rank prediction = 1349 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.230971730336, rank prediction = 1524 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17474, atomId = 3053, opReactId = 1791 rxnConditionsId= 1, smi = CC(=C)C[OH:1] target = 1, prediction = 0.459742620562, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11671, atomId = 2348, opReactId = 1750 rxnConditionsId= 1, smi = CC1(CC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.503345047691, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12201, atomId = 5650, opReactId = 2113 rxnConditionsId= 6, smi = Cc1ccc[c-:1]c1N target = 1, prediction = 0.585679987017, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12868, atomId = 2774, opReactId = 1776 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.592209552127, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2239, atomId = 15390, opReactId = 3175 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+]2)[O-:1] target = 1, prediction = 0.635820770372, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8827, atomId = 8578, opReactId = 2442 rxnConditionsId= 6, smi = c1cncc([c-:1]1)N target = 1, prediction = 0.646988545571, rank prediction = 1620 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.673361449304, rank prediction = 1624 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5462, atomId = 13330, opReactId = 2978 rxnConditionsId= 2, smi = [CH2:1]=CCCc1ccccc1 target = 1, prediction = 0.677221234839, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13325, atomId = 3936, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.697385567505, rank prediction = 1631 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11115, atomId = 12777, opReactId = 2920 rxnConditionsId= 2, smi = [CH2:1]=CCOc1ccccc1 target = 1, prediction = 0.698215537286, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13330, atomId = 3940, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.699466920608, rank prediction = 1633 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16015, atomId = 3927, opReactId = 1900 rxnConditionsId= 2, smi = [CH2:1]=CCc1ccccc1 target = 1, prediction = 0.72839670679, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.737562184492, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11371, atomId = 10800, opReactId = 2711 rxnConditionsId= 1, smi = C[CH:1](C(C)(C)C)Br target = 1, prediction = 0.740059788392, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15711, atomId = 2774, opReactId = 1776 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.746533987878, rank prediction = 1644 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 = 0.752371737142, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11116, atomId = 12784, opReactId = 2920 rxnConditionsId= 2, smi = C=CCOc1cc[cH:1]cc1 target = 1, prediction = 0.79030596741, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18007, atomId = 8809, opReactId = 2478 rxnConditionsId= 3, smi = CCC(C)(N1CCCC1)[OH:1] target = 1, prediction = 0.817008250338, rank prediction = 1662 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11719, atomId = 5126, opReactId = 2042 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCCN2)[OH:1] target = 1, prediction = 0.817312558171, rank prediction = 1663 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16007, atomId = 3936, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.821554170049, rank prediction = 1665 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16009, atomId = 3940, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.823138684885, rank prediction = 1667 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7746, atomId = 3234, opReactId = 1689 rxnConditionsId= 1, smi = CC(=O)CCC=[O+]CC[OH:1] target = 1, prediction = 0.842729602893, rank prediction = 1674 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.8549604014, rank prediction = 1676 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18446, atomId = 3686, opReactId = 1878 rxnConditionsId= 1, smi = C1C(O1)CCCCC[OH:1] target = 1, prediction = 0.856688839348, rank prediction = 1678 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4888, atomId = 10897, opReactId = 2721 rxnConditionsId= 1, smi = CC(C)(C)[OH:1] target = 1, prediction = 0.873118872978, rank prediction = 1681 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4549, atomId = 1808, opReactId = 1503 rxnConditionsId= 1, smi = C(CC[OH:1])CC=[OH+] target = 1, prediction = 0.879370678411, rank prediction = 1683 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3040, atomId = 4866, opReactId = 1841 rxnConditionsId= 3, smi = CC[NH:1]C(C)(C)[OH2+] target = 1, prediction = 0.894981869278, rank prediction = 1689 isPredictedFilled = True, isPredictedUnfilled = False