Worst predictions : D4H10_un_e126_s9_lowestPos.txt

rAtomId = 11350, atomId = 3790, opReactId = 1888 rxnConditionsId= 1, smi = [CH2:1]=CC#[NH+] target = 1, prediction = 0.182070029231, rank prediction = 1404 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5890, atomId = 10306, opReactId = 2661 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(CC)CC target = 1, prediction = 0.235469644992, rank prediction = 1440 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.237250282616, rank prediction = 1442 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3476, atomId = 3328, opReactId = 1734 rxnConditionsId= 1, smi = [CH2:1]1C[OH+]1 target = 1, prediction = 0.260515277075, rank prediction = 1450 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11189, atomId = 7186, opReactId = 2294 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.263572306692, rank prediction = 1453 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8742, atomId = 1321, opReactId = 1660 rxnConditionsId= 1, smi = C[CH2:1][CH+]OC target = 1, prediction = 0.349457454752, rank prediction = 1498 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6181, atomId = 7186, opReactId = 2294 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.371712683578, rank prediction = 1511 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7684, atomId = 10963, opReactId = 2731 rxnConditionsId= 1, smi = C[CH2:1][CH+]C target = 1, prediction = 0.385552010046, rank prediction = 1518 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 = 0.437278644995, rank prediction = 1542 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9372, atomId = 7105, opReactId = 2267 rxnConditionsId= 3, smi = C[C:1](=O)CCC(=O)c1ccccc1 target = 1, prediction = 0.496792019964, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2241, atomId = 14709, opReactId = 3110 rxnConditionsId= 1, smi = c1ccc(cc1)C(=O)[OH:1] target = 1, prediction = 0.503693148054, rank prediction = 1568 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14660, atomId = 3268, opReactId = 1824 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=O)NC target = 1, prediction = 0.520524689234, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16760, atomId = 14781, opReactId = 3121 rxnConditionsId= 1, smi = CCC(C)O[C:1](=O)C target = 1, prediction = 0.529071449042, rank prediction = 1579 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6500, atomId = 7043, opReactId = 2279 rxnConditionsId= 1, smi = C[C:1](=O)OC target = 1, prediction = 0.550450359531, rank prediction = 1586 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12070, atomId = 3480, opReactId = 1849 rxnConditionsId= 1, smi = C=CC(=O)[NH2:1] target = 1, prediction = 0.55348294445, rank prediction = 1591 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365 rxnConditionsId= 1, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.556651289371, rank prediction = 1593 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12694, atomId = 5758, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=C[C:1]#C1 target = 1, prediction = 0.573208378324, rank prediction = 1597 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15407, atomId = 7445, opReactId = 2305 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1cccc(c1)Br target = 1, prediction = 0.580907175822, rank prediction = 1599 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.626301904994, rank prediction = 1613 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15406, atomId = 7446, opReactId = 2305 rxnConditionsId= 3, smi = C[C:1](=O)c1cccc(c1)Br target = 1, prediction = 0.633627787882, rank prediction = 1614 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14562, atomId = 1664, opReactId = 1562 rxnConditionsId= 1, smi = CC=CC1[CH:1]([Br+]1)C target = 1, prediction = 0.666931489352, rank prediction = 1623 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11462, atomId = 7043, opReactId = 2279 rxnConditionsId= 3, smi = C[C:1](=O)OC target = 1, prediction = 0.670582519013, rank prediction = 1624 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365 rxnConditionsId= 3, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.677709646403, rank prediction = 1629 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3758, atomId = 7945, opReactId = 2377 rxnConditionsId= 1, smi = CCOC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.696536520473, rank prediction = 1636 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6435, atomId = 4502, opReactId = 1953 rxnConditionsId= 1, smi = [CH3:1]C#N target = 1, prediction = 0.711112936154, rank prediction = 1638 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4725, atomId = 8393, opReactId = 2434 rxnConditionsId= 1, smi = C(C[CH:1]=O)C[O-] target = 1, prediction = 0.724197553211, rank prediction = 1642 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5167, atomId = 6602, opReactId = 2222 rxnConditionsId= 3, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.729937854436, rank prediction = 1644 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9374, atomId = 7112, opReactId = 2267 rxnConditionsId= 3, smi = CC(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.744488355258, rank prediction = 1649 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12699, atomId = 5759, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=CC#[C:1]1 target = 1, prediction = 0.748853417885, rank prediction = 1650 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5645, atomId = 14302, opReactId = 3071 rxnConditionsId= 1, smi = CC1(CCCC(=O)[CH2:1]1)O target = 1, prediction = 0.75070394123, rank prediction = 1651 isPredictedFilled = False, isPredictedUnfilled = True