Worst predictions : D4H10_un_e130_s1_lowestPos.txt

rAtomId = 17635, atomId = 11554, opReactId = 2808 rxnConditionsId= 3, smi = c1ccc2c(c1)-c3ccccc3C2CO[C:1](=O)ON4C(=O)CCC4=O target = 1, prediction = 0.157731839147, rank prediction = 1176 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12388, atomId = 8506, opReactId = 2443 rxnConditionsId= 6, smi = C1=CC#[C:1]N=C1 target = 1, prediction = 0.193182697332, rank prediction = 1200 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12390, atomId = 8505, opReactId = 2443 rxnConditionsId= 6, smi = C1=C[C:1]#CN=C1 target = 1, prediction = 0.28433738802, rank prediction = 1274 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.310193753594, rank prediction = 1285 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.332602147496, rank prediction = 1293 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3476, atomId = 3328, opReactId = 1734 rxnConditionsId= 1, smi = [CH2:1]1C[OH+]1 target = 1, prediction = 0.365155428116, rank prediction = 1312 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10934, atomId = 1573, opReactId = 1471 rxnConditionsId= 8, smi = [CH3:1]C=[OH+] target = 1, prediction = 0.368674989532, rank prediction = 1313 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11813, atomId = 15289, opReactId = 3165 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)NC(=O)OC[CH:1]3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.390057178622, rank prediction = 1325 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7365, atomId = 11185, opReactId = 2761 rxnConditionsId= 1, smi = CC(C)[C:1](C)(CC=NC)Br target = 1, prediction = 0.40094108123, rank prediction = 1330 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.406680983949, rank prediction = 1334 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12694, atomId = 5758, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=C[C:1]#C1 target = 1, prediction = 0.422041802107, rank prediction = 1337 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7684, atomId = 10963, opReactId = 2731 rxnConditionsId= 1, smi = C[CH2:1][CH+]C target = 1, prediction = 0.433578936351, rank prediction = 1345 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11639, atomId = 10513, opReactId = 2674 rxnConditionsId= 3, smi = CCC([CH3:1])(C)[N+](C)(C)C target = 1, prediction = 0.441380707324, rank prediction = 1346 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17761, atomId = 12077, opReactId = 2839 rxnConditionsId= 1, smi = C(=O)(C(F)(F)F)[OH:1] target = 1, prediction = 0.443379817113, rank prediction = 1348 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134 rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.491757335317, rank prediction = 1369 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15678, atomId = 11727, opReactId = 2833 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH2+:1]C([O-])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O target = 1, prediction = 0.500258020542, rank prediction = 1372 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12419, atomId = 14674, opReactId = 3113 rxnConditionsId= 1, smi = C[C:1](=O)CCCC=C(C)[O-] target = 1, prediction = 0.505764351594, rank prediction = 1377 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13017, atomId = 4449, opReactId = 1955 rxnConditionsId= 2, smi = C[C:1]#[NH+] target = 1, prediction = 0.508566621661, rank prediction = 1379 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5009, atomId = 4377, opReactId = 1927 rxnConditionsId= 1, smi = C[C:1]1=C[Br+]1 target = 1, prediction = 0.56473007959, rank prediction = 1392 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.574972503501, rank prediction = 1393 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1369, atomId = 5835, opReactId = 2134 rxnConditionsId= 3, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.578476507316, rank prediction = 1396 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5145, atomId = 2585, opReactId = 1760 rxnConditionsId= 1, smi = C=CC[CH2:1][OH2+] target = 1, prediction = 0.59649075648, rank prediction = 1402 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8729, atomId = 4402, opReactId = 1811 rxnConditionsId= 1, smi = C[C:1](C)(O)Br target = 1, prediction = 0.611964361851, rank prediction = 1407 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12699, atomId = 5759, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=CC#[C:1]1 target = 1, prediction = 0.65339402068, rank prediction = 1418 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5545, atomId = 4449, opReactId = 1955 rxnConditionsId= 1, smi = C[C:1]#[NH+] target = 1, prediction = 0.654574900657, rank prediction = 1419 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.674601309567, rank prediction = 1426 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.683007203366, rank prediction = 1428 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18668, atomId = 5952, opReactId = 2149 rxnConditionsId= 1, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.684985452198, rank prediction = 1429 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.709419336912, rank prediction = 1436 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10579, atomId = 9921, opReactId = 2592 rxnConditionsId= 7, smi = [CH3:1]C(=NC)C target = 1, prediction = 0.714815934672, rank prediction = 1437 isPredictedFilled = False, isPredictedUnfilled = True