Worst predictions : D4H0_un_e126_s4_lowestPos.txt

rAtomId = 1860, atomId = 8658, opReactId = 2446 rxnConditionsId= 3, smi = [Li]C(C)[CH:1]=C target = 1, prediction = 0.0706184759839, rank prediction = 888 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.0921564592215, rank prediction = 970 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12775, atomId = 8293, opReactId = 2407 rxnConditionsId= 1, smi = CN(C)C(=O)C[CH2:1]C(=O)OC target = 1, prediction = 0.187308077838, rank prediction = 1196 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17790, atomId = 8293, opReactId = 2407 rxnConditionsId= 3, smi = CN(C)C(=O)C[CH2:1]C(=O)OC target = 1, prediction = 0.246990424032, rank prediction = 1290 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.320645347923, rank prediction = 1361 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.322472936134, rank prediction = 1362 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5035, atomId = 1757, opReactId = 1569 rxnConditionsId= 1, smi = [CH3:1][CH+]c1ccccc1 target = 1, prediction = 0.357962874739, rank prediction = 1385 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14775, atomId = 5150, opReactId = 2040 rxnConditionsId= 2, smi = C1CC[C:1]2=[NH+]CCCC2C1 target = 1, prediction = 0.378502812746, rank prediction = 1403 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8012, atomId = 1969, opReactId = 1523 rxnConditionsId= 2, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.391765941638, rank prediction = 1409 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3205, atomId = 11872, opReactId = 2827 rxnConditionsId= 3, smi = CC(=O)ON=[CH:1]C(CO)O target = 1, prediction = 0.447215140276, rank prediction = 1450 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12229, atomId = 7948, opReactId = 2369 rxnConditionsId= 3, smi = [Li]O[C:1](CC#N)(c1ccccc1)N(C)C target = 1, prediction = 0.463240575493, rank prediction = 1458 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 = 0.475357866614, rank prediction = 1469 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10346, atomId = 4305, opReactId = 1807 rxnConditionsId= 2, smi = CC[C:1]#[NH+] target = 1, prediction = 0.475713796002, rank prediction = 1471 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6773, atomId = 3619, opReactId = 1735 rxnConditionsId= 1, smi = C[NH+]=CC=[CH2:1] target = 1, prediction = 0.480513944455, rank prediction = 1474 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.480527610507, rank prediction = 1475 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12035, atomId = 5150, opReactId = 2040 rxnConditionsId= 1, smi = C1CC[C:1]2=[NH+]CCCC2C1 target = 1, prediction = 0.491426374111, rank prediction = 1487 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18152, atomId = 1969, opReactId = 1523 rxnConditionsId= 1, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.505428490999, rank prediction = 1495 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16056, atomId = 10088, opReactId = 2602 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C(C)Br target = 1, prediction = 0.516880155082, rank prediction = 1506 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.532440262489, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14459, atomId = 6554, opReactId = 2230 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.547261191181, rank prediction = 1527 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18374, atomId = 1499, opReactId = 1474 rxnConditionsId= 2, smi = C[CH:1]=[NH+]C target = 1, prediction = 0.547579592907, rank prediction = 1528 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10181, atomId = 14867, opReactId = 3126 rxnConditionsId= 1, smi = CC(=O)CCC(=O)[OH:1] target = 1, prediction = 0.54933517256, rank prediction = 1531 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13551, atomId = 8462, opReactId = 2414 rxnConditionsId= 1, smi = CN(C)C(=O)CCC(=O)[CH:1](CC(=O)N(C)C)C(=O)OC target = 1, prediction = 0.559530390925, rank prediction = 1537 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2289, atomId = 9203, opReactId = 2520 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1F target = 1, prediction = 0.562471386034, rank prediction = 1539 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 = 0.563215042636, rank prediction = 1540 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2772, atomId = 4305, opReactId = 1807 rxnConditionsId= 1, smi = CC[C:1]#[NH+] target = 1, prediction = 0.590102396471, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15003, atomId = 5789, opReactId = 2126 rxnConditionsId= 3, smi = CC(=O)C[CH:1]=O target = 1, prediction = 0.606330548472, rank prediction = 1566 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7782, atomId = 9887, opReactId = 2586 rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)(C)Br target = 1, prediction = 0.609413218635, rank prediction = 1569 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14820, atomId = 15173, opReactId = 3153 rxnConditionsId= 1, smi = c1cc(ccc1[N+](=O)[O-])[OH:1] target = 1, prediction = 0.609676732385, rank prediction = 1570 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.62254478426, rank prediction = 1577 isPredictedFilled = False, isPredictedUnfilled = True