Worst predictions : D4H0_un_e128_s9_lowestPos.txt

rAtomId = 4989, atomId = 7853, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.177747408342, rank prediction = 1119 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4988, atomId = 7846, opReactId = 2354 rxnConditionsId= 1, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.216491690593, rank prediction = 1186 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12070, atomId = 3480, opReactId = 1849 rxnConditionsId= 1, smi = C=CC(=O)[NH2:1] target = 1, prediction = 0.234894516085, rank prediction = 1219 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17768, atomId = 7853, opReactId = 2354 rxnConditionsId= 3, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.234926437636, rank prediction = 1220 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4612, atomId = 7853, opReactId = 2354 rxnConditionsId= 6, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.253902517641, rank prediction = 1246 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17767, atomId = 7846, opReactId = 2354 rxnConditionsId= 3, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.281861848979, rank prediction = 1276 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4610, atomId = 7846, opReactId = 2354 rxnConditionsId= 6, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.303127023687, rank prediction = 1295 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.314412706491, rank prediction = 1306 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14775, atomId = 5150, opReactId = 2040 rxnConditionsId= 2, smi = C1CC[C:1]2=[NH+]CCCC2C1 target = 1, prediction = 0.364869210439, rank prediction = 1344 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12388, atomId = 8506, opReactId = 2443 rxnConditionsId= 6, smi = C1=CC#[C:1]N=C1 target = 1, prediction = 0.373549966135, rank prediction = 1350 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.382586619905, rank prediction = 1360 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7503, atomId = 7853, opReactId = 2354 rxnConditionsId= 7, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.446302569375, 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 = 0.447806064956, rank prediction = 1410 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2241, atomId = 14709, opReactId = 3110 rxnConditionsId= 1, smi = c1ccc(cc1)C(=O)[OH:1] target = 1, prediction = 0.449911041537, rank prediction = 1412 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12035, atomId = 5150, opReactId = 2040 rxnConditionsId= 1, smi = C1CC[C:1]2=[NH+]CCCC2C1 target = 1, prediction = 0.477518945499, rank prediction = 1432 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16480, atomId = 14105, opReactId = 3053 rxnConditionsId= 1, smi = CCO[CH:1]=O target = 1, prediction = 0.481249480735, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7502, atomId = 7846, opReactId = 2354 rxnConditionsId= 7, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.507457795074, rank prediction = 1451 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.518369771589, rank prediction = 1458 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12390, atomId = 8505, opReactId = 2443 rxnConditionsId= 6, smi = C1=C[C:1]#CN=C1 target = 1, prediction = 0.522959507144, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9132, atomId = 9153, opReactId = 2507 rxnConditionsId= 1, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.533863894463, rank prediction = 1475 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9372, atomId = 7105, opReactId = 2267 rxnConditionsId= 3, smi = C[C:1](=O)CCC(=O)c1ccccc1 target = 1, prediction = 0.537865334566, rank prediction = 1477 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.549481289796, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13358, atomId = 6516, opReactId = 2216 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.571586588854, rank prediction = 1499 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11676, atomId = 1694, opReactId = 1559 rxnConditionsId= 1, smi = COC(=[OH+])C=[CH2:1] target = 1, prediction = 0.587058514985, rank prediction = 1510 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18428, atomId = 5412, opReactId = 2080 rxnConditionsId= 7, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.594765405719, rank prediction = 1513 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15943, atomId = 6388, opReactId = 2198 rxnConditionsId= 1, smi = C1CC(=O)[CH2:1]C1O target = 1, prediction = 0.595816140628, rank prediction = 1514 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.604668244499, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6328, atomId = 1601, opReactId = 1691 rxnConditionsId= 1, smi = CC(=O)[OH:1] target = 1, prediction = 0.613471742785, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14136, atomId = 9153, opReactId = 2507 rxnConditionsId= 3, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.619316435825, rank prediction = 1525 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17181, atomId = 6516, opReactId = 2216 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.654597905661, rank prediction = 1538 isPredictedFilled = False, isPredictedUnfilled = True