Worst predictions : D4H20_un_e125_s8_lowestPos.txt

rAtomId = 17635, atomId = 11554, opReactId = 2808 rxnConditionsId= 3, smi = c1ccc2c(c1)-c3ccccc3C2CO[C:1](=O)ON4C(=O)CCC4=O target = 1, prediction = 0.185354240884, rank prediction = 1334 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12151, atomId = 12329, opReactId = 2875 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C)C(=O)OCC target = 1, prediction = 0.187457901354, rank prediction = 1336 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.201677754577, rank prediction = 1348 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.270472703538, rank prediction = 1397 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2783, atomId = 3922, opReactId = 1918 rxnConditionsId= 1, smi = CC(C1(CCC[OH+:1]1)C)Br target = 1, prediction = 0.305445570239, rank prediction = 1417 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 = 0.36801409615, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099 rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC target = 1, prediction = 0.403002517451, rank prediction = 1469 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.439717812069, rank prediction = 1485 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099 rxnConditionsId= 1, smi = CC[C:1](=O)OCC target = 1, prediction = 0.534365050613, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10406, atomId = 7260, opReactId = 2287 rxnConditionsId= 1, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.5358021895, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6500, atomId = 7043, opReactId = 2279 rxnConditionsId= 1, smi = C[C:1](=O)OC target = 1, prediction = 0.546996043943, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4046, atomId = 9811, opReactId = 2578 rxnConditionsId= 1, smi = C[CH2:1]C(=O)N(C)C target = 1, prediction = 0.61367309607, rank prediction = 1548 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18734, atomId = 11207, opReactId = 2766 rxnConditionsId= 1, smi = C[CH:1](CBr)O target = 1, prediction = 0.614507191746, rank prediction = 1549 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15597, atomId = 7260, opReactId = 2287 rxnConditionsId= 3, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.638588054836, rank prediction = 1555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13021, atomId = 10059, opReactId = 2599 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CC target = 1, prediction = 0.654430430137, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11462, atomId = 7043, opReactId = 2279 rxnConditionsId= 3, smi = C[C:1](=O)OC target = 1, prediction = 0.683828816285, rank prediction = 1565 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8239, atomId = 5664, opReactId = 2105 rxnConditionsId= 6, smi = CC1=C[N-][CH:1](C=C1)N target = 1, prediction = 0.690493913423, rank prediction = 1567 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1272, atomId = 7042, opReactId = 2279 rxnConditionsId= 7, smi = [CH3:1]C(=O)OC target = 1, prediction = 0.711446351676, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6318, atomId = 5636, opReactId = 2094 rxnConditionsId= 6, smi = C1=C[CH:1]([N-]C=C1)N target = 1, prediction = 0.729499838887, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10554, atomId = 12487, opReactId = 2896 rxnConditionsId= 1, smi = CC(=[NH+:1]O)C target = 1, prediction = 0.729998219329, rank prediction = 1579 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11638, atomId = 5801, opReactId = 2131 rxnConditionsId= 1, smi = C[CH:1](C)CBr target = 1, prediction = 0.770269050753, rank prediction = 1588 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.79396202446, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18016, atomId = 6821, opReactId = 2252 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(=O)Cc1ccccc1 target = 1, prediction = 0.805118138475, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16193, atomId = 9652, opReactId = 2555 rxnConditionsId= 8, smi = C[CH:1]([OH2+])O target = 1, prediction = 0.806230386996, rank prediction = 1593 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11438, atomId = 1702, opReactId = 1697 rxnConditionsId= 1, smi = C(CBr)C=[OH+:1] target = 1, prediction = 0.818813844983, rank prediction = 1599 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14869, atomId = 13766, opReactId = 3011 rxnConditionsId= 1, smi = C[CH:1]([CH-]C#N)O target = 1, prediction = 0.821388829005, rank prediction = 1600 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2024, atomId = 5272, opReactId = 2046 rxnConditionsId= 2, smi = C1CCC(=[OH+:1])C(C1)CCCN target = 1, prediction = 0.832659861008, rank prediction = 1602 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7676, atomId = 4751, opReactId = 2004 rxnConditionsId= 1, smi = C[C:1](=O)OC(=O)CCC=O target = 1, prediction = 0.837258283318, rank prediction = 1603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16856, atomId = 5801, opReactId = 2131 rxnConditionsId= 3, smi = C[CH:1](C)CBr target = 1, prediction = 0.840300784881, rank prediction = 1604 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5348, atomId = 3714, opReactId = 1884 rxnConditionsId= 1, smi = c1ccc(cc1)CC=[OH+:1] target = 1, prediction = 0.842456188861, rank prediction = 1605 isPredictedFilled = False, isPredictedUnfilled = True