Worst predictions : D4H0_fi_e131_s6_lowestPos.txt

rAtomId = 9721, atomId = 6958, opReactId = 2258 rxnConditionsId= 3, smi = CCOC1([CH:1]=C[C-](C=C1)[N+](=O)[O-])I target = 1, prediction = 0.180497410107, rank prediction = 1249 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.212475423088, rank prediction = 1290 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3743, atomId = 2451, opReactId = 1543 rxnConditionsId= 1, smi = C[CH+]C([CH3:1])(C)C target = 1, prediction = 0.29504299752, rank prediction = 1358 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9776, atomId = 10303, opReactId = 2669 rxnConditionsId= 3, smi = C(CCN)CC(=O)[OH:1] target = 1, prediction = 0.342368857517, rank prediction = 1388 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.395102348562, rank prediction = 1418 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2667, atomId = 12147, opReactId = 2845 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2 target = 1, prediction = 0.548131568148, rank prediction = 1488 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8386, atomId = 5240, opReactId = 2036 rxnConditionsId= 2, smi = CC=C[CH:1](C)[OH2+] target = 1, prediction = 0.647250069342, rank prediction = 1530 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.695175547191, rank prediction = 1542 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14574, atomId = 1026, opReactId = 1513 rxnConditionsId= 1, smi = C[C:1]#CC target = 1, prediction = 0.70765863445, rank prediction = 1545 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.71934869564, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14212, atomId = 4603, opReactId = 1978 rxnConditionsId= 1, smi = C[CH:1]=CO target = 1, prediction = 0.738547002881, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14825, atomId = 4453, opReactId = 1948 rxnConditionsId= 1, smi = c1c[cH:1]c2ccccc2c1 target = 1, prediction = 0.753513786855, rank prediction = 1559 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8009, atomId = 4015, opReactId = 1915 rxnConditionsId= 1, smi = COC(=O)C1CCC(=[O+]CC[OH:1])CC1 target = 1, prediction = 0.754808920211, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3475, atomId = 10870, opReactId = 2732 rxnConditionsId= 1, smi = CC[C:1](C)(C(C)C)Br target = 1, prediction = 0.765164514484, rank prediction = 1566 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15994, atomId = 3101, opReactId = 1684 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])Cl target = 1, prediction = 0.769396793852, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7649, atomId = 4319, opReactId = 1880 rxnConditionsId= 1, smi = C[O:1]C(Cc1ccccc1)O target = 1, prediction = 0.777863672898, rank prediction = 1570 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2320, atomId = 10482, opReactId = 2681 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=O)[N-:1]C2CCCCC2 target = 1, prediction = 0.783250633709, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6953, atomId = 13455, opReactId = 2961 rxnConditionsId= 2, smi = CC[O:1]C(C(Cc1ccccc1)NC(=O)C)(O)O target = 1, prediction = 0.789112180723, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5196, atomId = 3077, opReactId = 1702 rxnConditionsId= 1, smi = Cc1ccc2ccccc2[cH:1]1 target = 1, prediction = 0.792247172889, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.796663811198, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8903, atomId = 2453, opReactId = 1586 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.799695556495, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.802814996224, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3401, atomId = 9515, opReactId = 2537 rxnConditionsId= 3, smi = [OH-:1] target = 1, prediction = 0.806641585565, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9738, atomId = 5618, opReactId = 2090 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.807387031472, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9890, atomId = 11674, opReactId = 2835 rxnConditionsId= 2, smi = COc1cc[cH:1]cc1Br target = 1, prediction = 0.810552141654, rank prediction = 1584 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17454, atomId = 4453, opReactId = 1948 rxnConditionsId= 2, smi = c1c[cH:1]c2ccccc2c1 target = 1, prediction = 0.810817639124, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1985, atomId = 1586, opReactId = 1540 rxnConditionsId= 1, smi = COC=[CH:1]c1ccccc1 target = 1, prediction = 0.812975302839, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15453, atomId = 5093, opReactId = 2041 rxnConditionsId= 1, smi = C[N:1]=CC=C target = 1, prediction = 0.832650984274, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15324, atomId = 3077, opReactId = 1702 rxnConditionsId= 2, smi = Cc1ccc2ccccc2[cH:1]1 target = 1, prediction = 0.842429218587, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16541, atomId = 6533, opReactId = 2217 rxnConditionsId= 1, smi = CCC(O)[O:1]C target = 1, prediction = 0.853191554809, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = False