Worst predictions : D4H0_fi_e126_s2_lowestPos.txt

rAtomId = 7796, atomId = 2897, opReactId = 1662 rxnConditionsId= 1, smi = C[CH:1]=CC=CC target = 1, prediction = 0.165960900367, rank prediction = 1221 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6614, atomId = 1406, opReactId = 1596 rxnConditionsId= 8, smi = CC=[O:1] target = 1, prediction = 0.225128009341, rank prediction = 1287 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14095, atomId = 8077, opReactId = 2390 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)O target = 1, prediction = 0.307264951855, rank prediction = 1339 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9759, atomId = 4880, opReactId = 1658 rxnConditionsId= 1, smi = C[CH+][CH2:1]OC target = 1, prediction = 0.31550628029, rank prediction = 1345 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12228, atomId = 9181, opReactId = 2511 rxnConditionsId= 3, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.323726497247, rank prediction = 1352 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15768, atomId = 11168, opReactId = 2756 rxnConditionsId= 1, smi = CC(C)[CH:1](CC(C(C)C)Cl)Cl target = 1, prediction = 0.328420843371, rank prediction = 1356 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4051, atomId = 8256, opReactId = 2408 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N(C)C target = 1, prediction = 0.342448033022, rank prediction = 1372 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.395383471047, rank prediction = 1400 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2155, atomId = 4880, opReactId = 1658 rxnConditionsId= 2, smi = C[CH+][CH2:1]OC target = 1, prediction = 0.398244405895, rank prediction = 1404 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13791, atomId = 10474, opReactId = 2677 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC[NH2:1] target = 1, prediction = 0.471141585323, rank prediction = 1434 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6910, atomId = 9181, opReactId = 2511 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.473355822141, rank prediction = 1436 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11551, atomId = 11745, opReactId = 2834 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)NC([O-:1])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O target = 1, prediction = 0.477990367511, rank prediction = 1439 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7404, atomId = 2462, opReactId = 1544 rxnConditionsId= 1, smi = C[CH:1]=Cc1ccccc1 target = 1, prediction = 0.481226831355, rank prediction = 1443 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.492456751233, rank prediction = 1448 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15931, atomId = 1453, opReactId = 1520 rxnConditionsId= 1, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.497508329833, rank prediction = 1454 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2572, atomId = 5322, opReactId = 2052 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[O:1]CCO4)O target = 1, prediction = 0.509370393743, rank prediction = 1457 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.57563432587, rank prediction = 1484 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18340, atomId = 1453, opReactId = 1520 rxnConditionsId= 2, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.587041557142, rank prediction = 1486 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17704, atomId = 10809, opReactId = 2715 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC=C(C)C target = 1, prediction = 0.595134442567, rank prediction = 1489 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.607240049495, rank prediction = 1492 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17864, atomId = 2279, opReactId = 1532 rxnConditionsId= 1, smi = CC#[CH:1] target = 1, prediction = 0.622131635342, rank prediction = 1496 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15930, atomId = 1459, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.631881616412, rank prediction = 1499 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15935, atomId = 1463, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.644506187271, rank prediction = 1503 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 = 0.672539929503, rank prediction = 1509 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13779, atomId = 8801, opReactId = 2479 rxnConditionsId= 3, smi = CCN(CC)C(C)(C#CC)[OH:1] target = 1, prediction = 0.688088993573, rank prediction = 1514 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15489, atomId = 7967, opReactId = 2367 rxnConditionsId= 3, smi = C(C=C=[N-:1])C#N target = 1, prediction = 0.694927664988, rank prediction = 1518 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.696034514245, rank prediction = 1519 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14212, atomId = 4603, opReactId = 1978 rxnConditionsId= 1, smi = C[CH:1]=CO target = 1, prediction = 0.697655802958, rank prediction = 1520 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6902, atomId = 1121, opReactId = 1497 rxnConditionsId= 1, smi = CC[C:1](=C(C)CC)C target = 1, prediction = 0.709857546732, rank prediction = 1523 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18333, atomId = 1459, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.711362976607, rank prediction = 1526 isPredictedFilled = True, isPredictedUnfilled = False