Worst predictions : D4H10_fi_e133_s3_lowestPos.txt

rAtomId = 18755, atomId = 8402, opReactId = 2417 rxnConditionsId= 3, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.0709150067788, rank prediction = 1299 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6032, atomId = 8402, opReactId = 2417 rxnConditionsId= 1, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.0934433824404, rank prediction = 1332 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.190733145466, rank prediction = 1415 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7796, atomId = 2897, opReactId = 1662 rxnConditionsId= 1, smi = C[CH:1]=CC=CC target = 1, prediction = 0.2684164965, rank prediction = 1458 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3743, atomId = 2451, opReactId = 1543 rxnConditionsId= 1, smi = C[CH+]C([CH3:1])(C)C target = 1, prediction = 0.59255045452, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1213, atomId = 11172, opReactId = 2757 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC(C(C)C)Cl target = 1, prediction = 0.620323406183, rank prediction = 1538 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15813, atomId = 4608, opReactId = 1983 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.656118185807, rank prediction = 1543 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11563, atomId = 8185, opReactId = 2396 rxnConditionsId= 3, smi = CC1CCCCC1(N2CCCC2)[OH:1] target = 1, prediction = 0.674461913723, rank prediction = 1545 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18675, atomId = 2138, opReactId = 1635 rxnConditionsId= 1, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.697098688012, rank prediction = 1547 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.707869510322, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.717646467912, rank prediction = 1552 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10669, atomId = 2232, opReactId = 1619 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.727546574732, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14082, atomId = 6219, opReactId = 2180 rxnConditionsId= 3, smi = CCOC(=O)CC(C)(NC)[OH:1] target = 1, prediction = 0.730777373863, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7964, atomId = 2707, opReactId = 1770 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC[C+](C)C)C target = 1, prediction = 0.734889436327, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16167, atomId = 1531, opReactId = 1527 rxnConditionsId= 1, smi = CCOC(=O)CCC(C)([OH2+])[O:1]CC target = 1, prediction = 0.759120084417, rank prediction = 1563 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2944, atomId = 1565, opReactId = 1498 rxnConditionsId= 1, smi = CC(=[CH:1]CCC=C(C)C)C target = 1, prediction = 0.774907572774, rank prediction = 1566 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18007, atomId = 8809, opReactId = 2478 rxnConditionsId= 3, smi = CCC(C)(N1CCCC1)[OH:1] target = 1, prediction = 0.77883924776, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6953, atomId = 13455, opReactId = 2961 rxnConditionsId= 2, smi = CC[O:1]C(C(Cc1ccccc1)NC(=O)C)(O)O target = 1, prediction = 0.779659055727, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5698, atomId = 4608, opReactId = 1983 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.780173876916, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.78567262944, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15809, atomId = 4616, opReactId = 1983 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.804319419231, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8573, atomId = 2138, opReactId = 1635 rxnConditionsId= 2, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.811562113181, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14887, atomId = 3351, opReactId = 1831 rxnConditionsId= 1, smi = CC(C)[O:1]C(C)(C)Br target = 1, prediction = 0.81159633509, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11482, atomId = 12883, opReactId = 2933 rxnConditionsId= 2, smi = CCOC(=O)C(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.813176974151, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18363, atomId = 2232, opReactId = 1619 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.831617215813, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2846, atomId = 1444, opReactId = 1489 rxnConditionsId= 1, smi = CCC(=[CH:1]C)C target = 1, prediction = 0.835546636469, rank prediction = 1584 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12401, atomId = 3831, opReactId = 1902 rxnConditionsId= 1, smi = CC[O:1]C(C)[OH2+] target = 1, prediction = 0.850369198273, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12668, atomId = 3765, opReactId = 1828 rxnConditionsId= 1, smi = CCNC(CCC(=O)NC)([OH:1])[OH+]CC target = 1, prediction = 0.850499131081, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10673, atomId = 2249, opReactId = 1619 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)[N+](=O)[O-] target = 1, prediction = 0.850662159785, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7344, atomId = 12452, opReactId = 2894 rxnConditionsId= 1, smi = CC(C)(NO)[OH:1] target = 1, prediction = 0.869824980957, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False