Worst predictions : D4H10_un_e127_s5_lowestPos.txt

rAtomId = 3584, atomId = 15042, opReactId = 3136 rxnConditionsId= 1, smi = CC1(C(=O)CCC1=O)CCC(=O)[CH2:1]CCc2cccc(c2)OC target = 1, prediction = 0.143285272365, rank prediction = 1227 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5112, atomId = 12134, opReactId = 2845 rxnConditionsId= 1, smi = c1ccc(cc1)[C:1](=O)Oc2ccccc2 target = 1, prediction = 0.153697056613, rank prediction = 1239 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11251, atomId = 13976, opReactId = 3040 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCC(=O)OCC target = 1, prediction = 0.202484435135, rank prediction = 1286 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12151, atomId = 12329, opReactId = 2875 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C)C(=O)OCC target = 1, prediction = 0.228190390145, rank prediction = 1303 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8379, atomId = 7840, opReactId = 2355 rxnConditionsId= 6, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.228291449029, rank prediction = 1304 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3154, atomId = 10789, opReactId = 2710 rxnConditionsId= 3, smi = C[CH2:1]C(CC)(C(C)C)[N+](C)(C)C target = 1, prediction = 0.347893580066, rank prediction = 1375 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.401871639079, rank prediction = 1402 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8899, atomId = 8334, opReactId = 2362 rxnConditionsId= 6, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.402982518381, rank prediction = 1405 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16056, atomId = 10088, opReactId = 2602 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C(C)Br target = 1, prediction = 0.421940962741, rank prediction = 1416 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17761, atomId = 12077, opReactId = 2839 rxnConditionsId= 1, smi = C(=O)(C(F)(F)F)[OH:1] target = 1, prediction = 0.469249778411, rank prediction = 1430 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12070, atomId = 3480, opReactId = 1849 rxnConditionsId= 1, smi = C=CC(=O)[NH2:1] target = 1, prediction = 0.477203371485, rank prediction = 1436 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2241, atomId = 14709, opReactId = 3110 rxnConditionsId= 1, smi = c1ccc(cc1)C(=O)[OH:1] target = 1, prediction = 0.482720452274, rank prediction = 1439 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2457, atomId = 2189, opReactId = 1538 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.494563191863, rank prediction = 1444 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6046, atomId = 7840, opReactId = 2355 rxnConditionsId= 7, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.530934184548, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.581124966656, rank prediction = 1483 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14975, atomId = 2189, opReactId = 1538 rxnConditionsId= 3, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.594673117438, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8815, atomId = 14371, opReactId = 3084 rxnConditionsId= 1, smi = C=C(CCC1CCCC[C:1]1=O)[O-] target = 1, prediction = 0.605560830761, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12692, atomId = 5809, opReactId = 2132 rxnConditionsId= 3, smi = CC(=O)CC=[NH+:1]C target = 1, prediction = 0.617883134448, rank prediction = 1503 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11212, atomId = 14592, opReactId = 3087 rxnConditionsId= 1, smi = C1CCC2([CH2:1]C(=O)CCC2C1)O target = 1, prediction = 0.622501542009, rank prediction = 1506 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.643786782053, rank prediction = 1518 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6911, atomId = 9248, opReactId = 2517 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1Cl target = 1, prediction = 0.658949643246, rank prediction = 1526 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2454, atomId = 2200, opReactId = 1538 rxnConditionsId= 1, smi = CC(=O)CC[CH:1]=O target = 1, prediction = 0.684718491641, rank prediction = 1533 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12986, atomId = 6208, opReactId = 2179 rxnConditionsId= 1, smi = CN(C)C(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.700961994709, rank prediction = 1535 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3011, atomId = 11118, opReactId = 2753 rxnConditionsId= 1, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.703028354811, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2000, atomId = 8889, opReactId = 2464 rxnConditionsId= 7, smi = [CH3:1]C(=O)CBr target = 1, prediction = 0.706465358552, rank prediction = 1538 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14850, atomId = 11149, opReactId = 2758 rxnConditionsId= 1, smi = CC(C)C(C[CH2:1][C+](C)C)Cl target = 1, prediction = 0.711250757764, rank prediction = 1541 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11148, atomId = 11118, opReactId = 2753 rxnConditionsId= 6, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.720546874635, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11372, atomId = 8334, opReactId = 2362 rxnConditionsId= 7, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.721064558318, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.736250982457, rank prediction = 1550 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5645, atomId = 14302, opReactId = 3071 rxnConditionsId= 1, smi = CC1(CCCC(=O)[CH2:1]1)O target = 1, prediction = 0.75120914134, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True