Worst predictions : D4H20_un_e129_s4_lowestPos.txt

rAtomId = 1411, atomId = 6959, opReactId = 2257 rxnConditionsId= 1, smi = c1c[c:1](ccc1[N+](=O)[O-])I target = 1, prediction = 0.0219069312757, rank prediction = 942 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13933, atomId = 6959, opReactId = 2257 rxnConditionsId= 3, smi = c1c[c:1](ccc1[N+](=O)[O-])I target = 1, prediction = 0.0321256701923, rank prediction = 1032 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17498, atomId = 5724, opReactId = 2107 rxnConditionsId= 6, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.0572571608353, rank prediction = 1153 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14817, atomId = 5724, opReactId = 2107 rxnConditionsId= 7, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.192853376144, rank prediction = 1366 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3154, atomId = 10789, opReactId = 2710 rxnConditionsId= 3, smi = C[CH2:1]C(CC)(C(C)C)[N+](C)(C)C target = 1, prediction = 0.203190334995, rank prediction = 1373 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8379, atomId = 7840, opReactId = 2355 rxnConditionsId= 6, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.272393352428, rank prediction = 1429 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12207, atomId = 1402, opReactId = 1596 rxnConditionsId= 1, smi = [CH3:1]C=O target = 1, prediction = 0.425871225959, rank prediction = 1495 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.430549637768, rank prediction = 1497 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7226, atomId = 15320, opReactId = 3168 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC(=O)OC[CH:1]2c3ccccc3-c4c2cccc4 target = 1, prediction = 0.453575971291, rank prediction = 1512 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10579, atomId = 9921, opReactId = 2592 rxnConditionsId= 7, smi = [CH3:1]C(=NC)C target = 1, prediction = 0.463407159536, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4271, atomId = 9508, opReactId = 2538 rxnConditionsId= 1, smi = C(C[CH2:1]C=O)CC[O-] target = 1, prediction = 0.489180445264, rank prediction = 1534 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365 rxnConditionsId= 1, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.491663681583, rank prediction = 1538 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.523174180233, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17111, atomId = 1402, opReactId = 1596 rxnConditionsId= 3, smi = [CH3:1]C=O target = 1, prediction = 0.523325799413, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2053, atomId = 5934, opReactId = 2147 rxnConditionsId= 1, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.525276766991, rank prediction = 1560 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.531999144655, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.546049346618, rank prediction = 1566 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12070, atomId = 3480, opReactId = 1849 rxnConditionsId= 1, smi = C=CC(=O)[NH2:1] target = 1, prediction = 0.546370381744, rank prediction = 1567 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12250, atomId = 11269, opReactId = 2764 rxnConditionsId= 6, smi = CC([CH:1](C)Br)[O-] target = 1, prediction = 0.562326234034, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6046, atomId = 7840, opReactId = 2355 rxnConditionsId= 7, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.564945592579, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365 rxnConditionsId= 3, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.590124972922, rank prediction = 1586 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.615397701232, rank prediction = 1593 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7064, atomId = 5934, opReactId = 2147 rxnConditionsId= 3, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.621416705518, rank prediction = 1594 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.623114378991, rank prediction = 1595 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6849, atomId = 3913, opReactId = 1917 rxnConditionsId= 1, smi = CC[C:1](=O)C target = 1, prediction = 0.640498098679, rank prediction = 1600 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6435, atomId = 4502, opReactId = 1953 rxnConditionsId= 1, smi = [CH3:1]C#N target = 1, prediction = 0.643225684038, rank prediction = 1601 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.644340904826, rank prediction = 1602 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16633, atomId = 11125, opReactId = 2754 rxnConditionsId= 6, smi = CCO[C:1](=O)CCC[O-] target = 1, prediction = 0.645557616735, rank prediction = 1603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6861, atomId = 3912, opReactId = 1917 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C target = 1, prediction = 0.66899485735, rank prediction = 1610 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5167, atomId = 6602, opReactId = 2222 rxnConditionsId= 3, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.700021943705, rank prediction = 1615 isPredictedFilled = False, isPredictedUnfilled = True