Worst predictions : D4H20_un_e129_s6_lowestPos.txt

rAtomId = 1860, atomId = 8658, opReactId = 2446 rxnConditionsId= 3, smi = [Li]C(C)[CH:1]=C target = 1, prediction = 0.0469775257075, rank prediction = 1054 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4973, atomId = 8565, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=CC#[C:1]1 target = 1, prediction = 0.09004627765, rank prediction = 1149 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.163222499733, rank prediction = 1231 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2493, atomId = 7896, opReactId = 2366 rxnConditionsId= 3, smi = CN(C)[C:1](=O)CC#N target = 1, prediction = 0.179422214306, rank prediction = 1246 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11251, atomId = 13976, opReactId = 3040 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCC(=O)OCC target = 1, prediction = 0.233435466323, rank prediction = 1281 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10730, atomId = 11097, opReactId = 2750 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=O)[NH:1]C2=O target = 1, prediction = 0.294243462494, rank prediction = 1317 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.308686186503, rank prediction = 1328 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4229, atomId = 10752, opReactId = 2704 rxnConditionsId= 3, smi = CCC([CH3:1])[N+](C)(C)C target = 1, prediction = 0.331276070152, rank prediction = 1347 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.411435286253, rank prediction = 1380 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8461, atomId = 5683, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cccn[cH:1]1 target = 1, prediction = 0.48049627195, rank prediction = 1407 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12692, atomId = 5809, opReactId = 2132 rxnConditionsId= 3, smi = CC(=O)CC=[NH+:1]C target = 1, prediction = 0.501941477744, rank prediction = 1413 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18305, atomId = 14140, opReactId = 3049 rxnConditionsId= 1, smi = CCOC(=C[CH:1](c1ccccc1)O)[O-] target = 1, prediction = 0.510571564678, rank prediction = 1416 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8456, atomId = 5680, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cc[cH:1]nc1 target = 1, prediction = 0.511067923367, rank prediction = 1417 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7132, atomId = 11984, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)[C:1](=[OH+])OCc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.521613709452, rank prediction = 1421 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17585, atomId = 9817, opReactId = 2579 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccn1 target = 1, prediction = 0.622320249129, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18390, atomId = 12600, opReactId = 2904 rxnConditionsId= 1, smi = CC=[NH+:1]O target = 1, prediction = 0.657078470195, rank prediction = 1471 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18061, atomId = 6372, opReactId = 2194 rxnConditionsId= 1, smi = C=C(CC[CH:1]=O)[O-] target = 1, prediction = 0.679701810582, rank prediction = 1476 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4976, atomId = 8564, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=C[C:1]#C1 target = 1, prediction = 0.690750499467, rank prediction = 1480 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18668, atomId = 5952, opReactId = 2149 rxnConditionsId= 1, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.693220534086, rank prediction = 1481 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 = 0.707917862985, rank prediction = 1485 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17117, atomId = 6270, opReactId = 2181 rxnConditionsId= 6, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.741484399864, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181 rxnConditionsId= 1, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.748188396396, rank prediction = 1491 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13654, atomId = 5952, opReactId = 2149 rxnConditionsId= 3, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.756196013286, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12799, atomId = 6372, opReactId = 2194 rxnConditionsId= 3, smi = C=C(CC[CH:1]=O)[O-] target = 1, prediction = 0.75783474707, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7031, atomId = 6270, opReactId = 2181 rxnConditionsId= 3, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.797372294198, rank prediction = 1501 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2305, atomId = 8873, opReactId = 2474 rxnConditionsId= 3, smi = CCOC(=O)C[CH2:1]Cl target = 1, prediction = 0.799180701028, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1643, atomId = 13714, opReactId = 2998 rxnConditionsId= 1, smi = CC(=O)[CH2:1]C(C)(C)O target = 1, prediction = 0.807345109844, rank prediction = 1503 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16070, atomId = 8786, opReactId = 2466 rxnConditionsId= 3, smi = C(CO)[CH:1]=O target = 1, prediction = 0.808263475333, rank prediction = 1504 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6416, atomId = 2725, opReactId = 1546 rxnConditionsId= 1, smi = C[CH2:1][CH+]c1ccccc1 target = 1, prediction = 0.826083133802, rank prediction = 1510 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8872, atomId = 11486, opReactId = 2803 rxnConditionsId= 6, smi = CO[CH:1](CC1OCCO1)[O-] target = 1, prediction = 0.842886480289, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True