Worst predictions : D4H10_fi_e128_s8_lowestPos.txt

rAtomId = 11317, atomId = 4110, opReactId = 1931 rxnConditionsId= 1, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.0508539359513, rank prediction = 1144 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1077, atomId = 4110, opReactId = 1931 rxnConditionsId= 2, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.0744255367915, rank prediction = 1194 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17473, atomId = 10929, opReactId = 2724 rxnConditionsId= 1, smi = C=C[CH:1](c1ccccc1)Br target = 1, prediction = 0.202835802053, rank prediction = 1276 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16051, atomId = 10446, opReactId = 2673 rxnConditionsId= 3, smi = C(CC(=O)[OH:1])CN target = 1, prediction = 0.282340420635, rank prediction = 1310 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18572, atomId = 6076, opReactId = 2158 rxnConditionsId= 1, smi = C[CH:1](c1ccccc1)Br target = 1, prediction = 0.350605775212, rank prediction = 1327 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.389017215267, rank prediction = 1344 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 = 0.420949989654, rank prediction = 1355 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.482131266533, rank prediction = 1375 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17992, atomId = 5798, opReactId = 2114 rxnConditionsId= 6, smi = Cc1cccc([c-:1]1)N target = 1, prediction = 0.511773102684, rank prediction = 1385 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 = 0.523543153965, rank prediction = 1389 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17210, atomId = 1347, opReactId = 1667 rxnConditionsId= 3, smi = C[N:1](C)c1ccccc1 target = 1, prediction = 0.524709136264, rank prediction = 1390 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4562, atomId = 8570, opReactId = 2441 rxnConditionsId= 6, smi = c1cnc[c-:1]c1N target = 1, prediction = 0.546929132109, rank prediction = 1393 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10729, atomId = 3394, opReactId = 1736 rxnConditionsId= 1, smi = [CH2:1]=CC=C target = 1, prediction = 0.555205786685, rank prediction = 1398 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.59866549054, rank prediction = 1401 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.659790872616, rank prediction = 1412 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.661101016115, rank prediction = 1415 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18539, atomId = 4985, opReactId = 2017 rxnConditionsId= 2, smi = [CH3:1]C1(CCC[CH+]1)C target = 1, prediction = 0.662205719785, rank prediction = 1416 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18376, atomId = 8211, opReactId = 2389 rxnConditionsId= 3, smi = CCNC[CH:1]=C[N-]C target = 1, prediction = 0.664091603526, rank prediction = 1418 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14642, atomId = 12541, opReactId = 2903 rxnConditionsId= 1, smi = CC([NH:1]O)[OH2+] target = 1, prediction = 0.721480346608, rank prediction = 1426 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3856, atomId = 2647, opReactId = 1762 rxnConditionsId= 1, smi = C=CC[OH:1] target = 1, prediction = 0.77038438922, rank prediction = 1435 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3850, atomId = 2644, opReactId = 1762 rxnConditionsId= 1, smi = [CH2:1]=CCO target = 1, prediction = 0.776598324332, rank prediction = 1437 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16369, atomId = 1101, opReactId = 1595 rxnConditionsId= 1, smi = C(C(C(C(C(C=[OH+])O)O)O)[OH:1])O target = 1, prediction = 0.819268602897, rank prediction = 1443 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1362, atomId = 1494, opReactId = 1685 rxnConditionsId= 1, smi = CC(C)[CH:1](C)[OH2+] target = 1, prediction = 0.838851822261, rank prediction = 1449 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14342, atomId = 4137, opReactId = 1898 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)Br target = 1, prediction = 0.847835522007, rank prediction = 1450 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16283, atomId = 13394, opReactId = 2963 rxnConditionsId= 2, smi = CC[OH+]C(C(Cc1ccccc1)NC(=O)C)([OH:1])O target = 1, prediction = 0.850485839074, rank prediction = 1453 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14271, atomId = 3018, opReactId = 1796 rxnConditionsId= 1, smi = CC1C([OH+]1)CCCC[OH:1] target = 1, prediction = 0.866931220572, rank prediction = 1455 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6334, atomId = 1477, opReactId = 1478 rxnConditionsId= 1, smi = CC[NH+](CC)C(C)[NH:1]C target = 1, prediction = 0.869504848579, rank prediction = 1456 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15147, atomId = 5060, opReactId = 2038 rxnConditionsId= 2, smi = C[CH:1](C1(CCCC1)C)[OH2+] target = 1, prediction = 0.879861687633, rank prediction = 1459 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5767, atomId = 2041, opReactId = 1721 rxnConditionsId= 1, smi = CC(C#N)([OH:1])Cl target = 1, prediction = 0.880901454635, rank prediction = 1460 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12326, atomId = 1344, opReactId = 1482 rxnConditionsId= 1, smi = CCC1(C[O:1]1)C target = 1, prediction = 0.887974317099, rank prediction = 1462 isPredictedFilled = True, isPredictedUnfilled = False