Worst predictions : D4H10_un_e132_s4_lowestPos.txt

rAtomId = 15974, atomId = 9498, opReactId = 2534 rxnConditionsId= 1, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.011178560143, rank prediction = 747 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10805, atomId = 9498, opReactId = 2534 rxnConditionsId= 3, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.0156918643593, rank prediction = 813 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7936, atomId = 6169, opReactId = 2173 rxnConditionsId= 3, smi = CCOC(=O)C[C:1](=O)C target = 1, prediction = 0.182988007213, rank prediction = 1275 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5890, atomId = 10306, opReactId = 2661 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(CC)CC target = 1, prediction = 0.191111539724, rank prediction = 1281 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.247151149778, rank prediction = 1312 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.435609804739, rank prediction = 1399 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3725, atomId = 14249, opReactId = 3068 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCCC(=O)C target = 1, prediction = 0.43908392752, rank prediction = 1400 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10437, atomId = 14808, opReactId = 3117 rxnConditionsId= 1, smi = C1C[CH:1]=CC(=O)C1 target = 1, prediction = 0.43924608465, rank prediction = 1401 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4483, atomId = 6342, opReactId = 2187 rxnConditionsId= 3, smi = CCOC(=O)CC(=[NH+:1]C)C target = 1, prediction = 0.450818222221, rank prediction = 1405 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.486144251125, rank prediction = 1423 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18531, atomId = 3497, opReactId = 1869 rxnConditionsId= 1, smi = C[CH2:1][CH+]O target = 1, prediction = 0.53926859485, rank prediction = 1439 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15525, atomId = 14974, opReactId = 3132 rxnConditionsId= 1, smi = COc1cccc(c1)CCCC(=O)C=[CH2:1] target = 1, prediction = 0.549645486067, rank prediction = 1445 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6773, atomId = 3619, opReactId = 1735 rxnConditionsId= 1, smi = C[NH+]=CC=[CH2:1] target = 1, prediction = 0.588609894157, rank prediction = 1461 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12229, atomId = 7948, opReactId = 2369 rxnConditionsId= 3, smi = [Li]O[C:1](CC#N)(c1ccccc1)N(C)C target = 1, prediction = 0.6039103401, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12311, atomId = 9103, opReactId = 2504 rxnConditionsId= 3, smi = c1ccc(cc1)C(=O)CC[CH:1]=O target = 1, prediction = 0.606121915417, rank prediction = 1469 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13473, atomId = 7319, opReactId = 2309 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1cccc(c1)Br)(c2cccc(c2)Br)O target = 1, prediction = 0.630166936998, rank prediction = 1480 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5049, atomId = 5501, opReactId = 2077 rxnConditionsId= 6, smi = CC=CC1CCC[CH2:1]C1Br target = 1, prediction = 0.638154409718, rank prediction = 1483 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16545, atomId = 8554, opReactId = 2439 rxnConditionsId= 6, smi = c1[cH:1]c(cnc1)Cl target = 1, prediction = 0.644783998512, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15458, atomId = 5099, opReactId = 2041 rxnConditionsId= 1, smi = CN=CC=[CH2:1] target = 1, prediction = 0.646791858337, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15189, atomId = 6135, opReactId = 2169 rxnConditionsId= 1, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.659756192511, rank prediction = 1490 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6849, atomId = 3913, opReactId = 1917 rxnConditionsId= 1, smi = CC[C:1](=O)C target = 1, prediction = 0.669482083331, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11048, atomId = 6839, opReactId = 2226 rxnConditionsId= 3, smi = CN(C)C(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.700734464966, rank prediction = 1505 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2519, atomId = 6134, opReactId = 2169 rxnConditionsId= 7, smi = [CH3:1]C(=O)Cc1ccccc1 target = 1, prediction = 0.723240757395, rank prediction = 1512 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10489, atomId = 5099, opReactId = 2041 rxnConditionsId= 3, smi = CN=CC=[CH2:1] target = 1, prediction = 0.723532328082, rank prediction = 1513 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13952, atomId = 7691, opReactId = 2337 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccncc1 target = 1, prediction = 0.738312989415, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10078, atomId = 6135, opReactId = 2169 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.739966072743, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14232, atomId = 5611, opReactId = 2097 rxnConditionsId= 1, smi = COC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.741966351394, rank prediction = 1518 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1927, atomId = 3913, opReactId = 1917 rxnConditionsId= 3, smi = CC[C:1](=O)C target = 1, prediction = 0.742475329146, rank prediction = 1520 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8726, atomId = 11008, opReactId = 2729 rxnConditionsId= 1, smi = CCN(CC)C(=O)CCCC(=[N+]1CCCC1)[CH3:1] target = 1, prediction = 0.74546022472, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7974, atomId = 15006, opReactId = 3077 rxnConditionsId= 1, smi = C[CH:1](C=O)C(C)O target = 1, prediction = 0.749410114388, rank prediction = 1524 isPredictedFilled = False, isPredictedUnfilled = True