Worst predictions : D4H0_fi_e125_s2_lowestPos.txt

rAtomId = 6742, atomId = 3914, opReactId = 1917 rxnConditionsId= 8, smi = CCC(=[O:1])C target = 1, prediction = 0.139978744278, rank prediction = 1274 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12228, atomId = 9181, opReactId = 2511 rxnConditionsId= 3, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.317253776641, rank prediction = 1442 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9776, atomId = 10303, opReactId = 2669 rxnConditionsId= 3, smi = C(CCN)CC(=O)[OH:1] target = 1, prediction = 0.32685445739, rank prediction = 1449 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1729, atomId = 1564, opReactId = 1500 rxnConditionsId= 1, smi = C[C:1](=CCCC[C+](C)C)C target = 1, prediction = 0.355904721409, rank prediction = 1471 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13566, atomId = 11045, opReactId = 2744 rxnConditionsId= 1, smi = C[CH:1](CO)Br target = 1, prediction = 0.418751550404, rank prediction = 1505 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6910, atomId = 9181, opReactId = 2511 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.457191422873, rank prediction = 1522 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13791, atomId = 10474, opReactId = 2677 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC[NH2:1] target = 1, prediction = 0.501750602882, rank prediction = 1542 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7404, atomId = 2462, opReactId = 1544 rxnConditionsId= 1, smi = C[CH:1]=Cc1ccccc1 target = 1, prediction = 0.511189106801, rank prediction = 1549 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12413, atomId = 5353, opReactId = 2064 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)(O)[O:1]CCO)O target = 1, prediction = 0.513792227836, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12868, atomId = 2774, opReactId = 1776 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.561764393023, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11371, atomId = 10800, opReactId = 2711 rxnConditionsId= 1, smi = C[CH:1](C(C)(C)C)Br target = 1, prediction = 0.594222272197, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = True

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 = 0.594676822352, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15813, atomId = 4608, opReactId = 1983 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.619339195097, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15711, atomId = 2774, opReactId = 1776 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.644247601037, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10669, atomId = 2232, opReactId = 1619 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.663259101524, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15809, atomId = 4616, opReactId = 1983 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.674709283804, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3651, atomId = 2371, opReactId = 1654 rxnConditionsId= 1, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.69513390284, rank prediction = 1637 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5698, atomId = 4608, opReactId = 1983 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.696833995404, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10673, atomId = 2249, opReactId = 1619 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)[N+](=O)[O-] target = 1, prediction = 0.715194360435, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7964, atomId = 2707, opReactId = 1770 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC[C+](C)C)C target = 1, prediction = 0.72615243589, rank prediction = 1650 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18363, atomId = 2232, opReactId = 1619 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.735629335771, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5693, atomId = 4616, opReactId = 1983 rxnConditionsId= 2, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.745562721388, rank prediction = 1655 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14212, atomId = 4603, opReactId = 1978 rxnConditionsId= 1, smi = C[CH:1]=CO target = 1, prediction = 0.749058251838, rank prediction = 1657 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.753563339289, rank prediction = 1660 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13669, atomId = 2371, opReactId = 1654 rxnConditionsId= 2, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.763100571185, rank prediction = 1664 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17356, atomId = 1394, opReactId = 1593 rxnConditionsId= 1, smi = Cc1cc[cH:1]c2c1cccc2 target = 1, prediction = 0.76451212324, rank prediction = 1666 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11137, atomId = 3576, opReactId = 1851 rxnConditionsId= 1, smi = CC[O:1]C(CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.772148377008, rank prediction = 1668 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18368, atomId = 2249, opReactId = 1619 rxnConditionsId= 2, smi = c1ccc2cc(ccc2[cH:1]1)[N+](=O)[O-] target = 1, prediction = 0.780103505064, rank prediction = 1671 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6176, atomId = 13115, opReactId = 2951 rxnConditionsId= 2, smi = CC[OH+]C(C(Cc1ccccc1)(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.780385119542, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8243, atomId = 12213, opReactId = 2852 rxnConditionsId= 2, smi = c1ccc(c([cH:1]1)CC[C+]=O)Br target = 1, prediction = 0.793801634981, rank prediction = 1676 isPredictedFilled = True, isPredictedUnfilled = False