Worst predictions : D4H0_un_e125_s0_lowestPos.txt

rAtomId = 8899, atomId = 8334, opReactId = 2362 rxnConditionsId= 6, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.239896299596, rank prediction = 1282 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5145, atomId = 2585, opReactId = 1760 rxnConditionsId= 1, smi = C=CC[CH2:1][OH2+] target = 1, prediction = 0.359102198436, rank prediction = 1371 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9788, atomId = 2935, opReactId = 1664 rxnConditionsId= 1, smi = CCC=C[CH+][CH3:1] target = 1, prediction = 0.374889650382, rank prediction = 1379 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11263, atomId = 11311, opReactId = 2778 rxnConditionsId= 1, smi = CC(C)(C#N)[OH:1] target = 1, prediction = 0.389215233022, rank prediction = 1393 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11372, atomId = 8334, opReactId = 2362 rxnConditionsId= 7, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.417904315695, rank prediction = 1407 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18668, atomId = 5952, opReactId = 2149 rxnConditionsId= 1, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.421122051539, rank prediction = 1409 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10876, atomId = 13699, opReactId = 3003 rxnConditionsId= 1, smi = CCO[C:1](=O)OCC target = 1, prediction = 0.429074144363, rank prediction = 1418 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11796, atomId = 6122, opReactId = 2168 rxnConditionsId= 1, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.434520512364, rank prediction = 1421 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14656, atomId = 5578, opReactId = 2101 rxnConditionsId= 7, smi = [CH3:1]c1ccncc1 target = 1, prediction = 0.456006690874, rank prediction = 1433 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10579, atomId = 9921, opReactId = 2592 rxnConditionsId= 7, smi = [CH3:1]C(=NC)C target = 1, prediction = 0.478185893281, rank prediction = 1453 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11428, atomId = 5772, opReactId = 2137 rxnConditionsId= 3, smi = C[CH2:1]CBr target = 1, prediction = 0.501559082914, rank prediction = 1465 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2872, atomId = 14984, opReactId = 3129 rxnConditionsId= 1, smi = c1ccc(c(c1)[N+](=O)[O-])[OH:1] target = 1, prediction = 0.502015274266, rank prediction = 1466 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13654, atomId = 5952, opReactId = 2149 rxnConditionsId= 3, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.506502267611, rank prediction = 1469 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.518390782399, rank prediction = 1479 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17055, atomId = 6122, opReactId = 2168 rxnConditionsId= 3, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.520176194592, rank prediction = 1480 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7132, atomId = 11984, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)[C:1](=[OH+])OCc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.522809398021, rank prediction = 1481 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9372, atomId = 7105, opReactId = 2267 rxnConditionsId= 3, smi = C[C:1](=O)CCC(=O)c1ccccc1 target = 1, prediction = 0.531097788138, rank prediction = 1485 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13358, atomId = 6516, opReactId = 2216 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.570708301988, rank prediction = 1514 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14820, atomId = 15173, opReactId = 3153 rxnConditionsId= 1, smi = c1cc(ccc1[N+](=O)[O-])[OH:1] target = 1, prediction = 0.585558083918, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3011, atomId = 11118, opReactId = 2753 rxnConditionsId= 1, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.595955819144, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15943, atomId = 6388, opReactId = 2198 rxnConditionsId= 1, smi = C1CC(=O)[CH2:1]C1O target = 1, prediction = 0.611004520234, rank prediction = 1537 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9244, atomId = 8595, opReactId = 2433 rxnConditionsId= 1, smi = C[C:1](=O)C(C)(C)CC[O-] target = 1, prediction = 0.621759545965, rank prediction = 1539 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8726, atomId = 11008, opReactId = 2729 rxnConditionsId= 1, smi = CCN(CC)C(=O)CCCC(=[N+]1CCCC1)[CH3:1] target = 1, prediction = 0.624133482098, rank prediction = 1541 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17181, atomId = 6516, opReactId = 2216 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.652244780706, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9470, atomId = 13945, opReactId = 3035 rxnConditionsId= 1, smi = CC1(CCC(=O)[CH2:1]1)O target = 1, prediction = 0.653039609679, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13955, atomId = 14482, opReactId = 3090 rxnConditionsId= 1, smi = CC(C)C(=O)[CH:1](c1ccccc1)C(Cc2ccccc2)(C(C)C)O target = 1, prediction = 0.677139737296, rank prediction = 1566 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11153, atomId = 6388, opReactId = 2198 rxnConditionsId= 3, smi = C1CC(=O)[CH2:1]C1O target = 1, prediction = 0.689057374519, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6054, atomId = 4969, opReactId = 2011 rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+] target = 1, prediction = 0.690359079024, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3873, atomId = 8595, opReactId = 2433 rxnConditionsId= 3, smi = C[C:1](=O)C(C)(C)CC[O-] target = 1, prediction = 0.698718482357, rank prediction = 1575 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9374, atomId = 7112, opReactId = 2267 rxnConditionsId= 3, smi = CC(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.69971921327, rank prediction = 1576 isPredictedFilled = False, isPredictedUnfilled = True