Worst predictions : D4H10_un_e132_s0_lowestPos.txt

rAtomId = 1860, atomId = 8658, opReactId = 2446 rxnConditionsId= 3, smi = [Li]C(C)[CH:1]=C target = 1, prediction = 0.0481624647648, rank prediction = 1124 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0677572932321, rank prediction = 1182 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17016, atomId = 10739, opReactId = 2703 rxnConditionsId= 3, smi = C[CH:1]1CC=CC(C1[N+](C)(C)C)C target = 1, prediction = 0.0875285980592, rank prediction = 1225 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.316671105317, rank prediction = 1432 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12207, atomId = 1402, opReactId = 1596 rxnConditionsId= 1, smi = [CH3:1]C=O target = 1, prediction = 0.437758564108, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.497419376503, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17031, atomId = 10743, opReactId = 2703 rxnConditionsId= 3, smi = CC1CC=C[CH:1](C1[N+](C)(C)C)C target = 1, prediction = 0.515081884939, rank prediction = 1513 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17111, atomId = 1402, opReactId = 1596 rxnConditionsId= 3, smi = [CH3:1]C=O target = 1, prediction = 0.526021646367, rank prediction = 1515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13358, atomId = 6516, opReactId = 2216 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.551704677606, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2289, atomId = 9203, opReactId = 2520 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1F target = 1, prediction = 0.611205116864, rank prediction = 1542 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.645509895109, rank prediction = 1555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17181, atomId = 6516, opReactId = 2216 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.676758671499, rank prediction = 1565 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4725, atomId = 8393, opReactId = 2434 rxnConditionsId= 1, smi = C(C[CH:1]=O)C[O-] target = 1, prediction = 0.691349146364, rank prediction = 1569 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15522, atomId = 1086, opReactId = 1492 rxnConditionsId= 1, smi = CC(C)C[CH2:1][OH2+] target = 1, prediction = 0.695078572063, rank prediction = 1570 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16790, atomId = 13062, opReactId = 2945 rxnConditionsId= 2, smi = CCOC(=O)C(Cc1ccccc1)(C([OH2+:1])(O)OCC)NC(=O)C target = 1, prediction = 0.711884774661, rank prediction = 1575 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12209, atomId = 1404, opReactId = 1596 rxnConditionsId= 1, smi = C[CH:1]=O target = 1, prediction = 0.723447518013, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.731049082569, rank prediction = 1579 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6789, atomId = 1402, opReactId = 1596 rxnConditionsId= 7, smi = [CH3:1]C=O target = 1, prediction = 0.741506451987, rank prediction = 1583 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17508, atomId = 8393, opReactId = 2434 rxnConditionsId= 3, smi = C(C[CH:1]=O)C[O-] target = 1, prediction = 0.752448902891, rank prediction = 1589 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15685, atomId = 10356, opReactId = 2655 rxnConditionsId= 3, smi = C[NH+:1](C)c1ccccc1 target = 1, prediction = 0.760749652963, rank prediction = 1590 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9044, atomId = 14400, opReactId = 3075 rxnConditionsId= 1, smi = CC[CH:1]=O target = 1, prediction = 0.765193761609, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13372, atomId = 11099, opReactId = 2749 rxnConditionsId= 1, smi = C[CH2:1]C=[N+]1CCCCC1 target = 1, prediction = 0.777844996522, rank prediction = 1594 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17115, atomId = 1404, opReactId = 1596 rxnConditionsId= 3, smi = C[CH:1]=O target = 1, prediction = 0.781686424628, rank prediction = 1595 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11638, atomId = 5801, opReactId = 2131 rxnConditionsId= 1, smi = C[CH:1](C)CBr target = 1, prediction = 0.785613464399, rank prediction = 1596 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2287, atomId = 9204, opReactId = 2520 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1F target = 1, prediction = 0.799716196962, rank prediction = 1598 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18578, atomId = 10838, opReactId = 2713 rxnConditionsId= 1, smi = [CH3:1]C(=[N+]1CCCC1)CCCC(=O)C target = 1, prediction = 0.803062287993, rank prediction = 1599 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12393, atomId = 5252, opReactId = 2047 rxnConditionsId= 1, smi = C[NH+:1]=CCCO target = 1, prediction = 0.805736275322, rank prediction = 1600 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14820, atomId = 15173, opReactId = 3153 rxnConditionsId= 1, smi = c1cc(ccc1[N+](=O)[O-])[OH:1] target = 1, prediction = 0.812139001663, rank prediction = 1602 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10627, atomId = 5408, opReactId = 2068 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(=[OH+:1])CC3)O target = 1, prediction = 0.814599198217, rank prediction = 1603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14497, atomId = 1837, opReactId = 1707 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1=[N+]2CCCC2 target = 1, prediction = 0.818704074954, rank prediction = 1604 isPredictedFilled = False, isPredictedUnfilled = True