Misranked Orb Pair Display

OPReactantPairId: 3047, ReactionConditionsId: 6

NumPos: 1, numNeg: 1

Pos data

CC([CH2:20][Br:21])[O-:10].CC(CBr)[O-]

OrbPairId : 2557, Prediction : 16.958458

Neg data

CC(CBr)[O-:10].CC([CH2:20][Br:21])[O-]

OrbPairId : 12856453, Prediction : 17.155479

OPReactantPairId: 3614, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

c1ccc(cc1)CC(=C[C:20](=[O:21])Cl)O.c1ccc(cc1)CC(=CC(=O)Cl)O.[OH-:10].[OH-]

OrbPairId : 3392, Prediction : 19.601789

Neg data

[H:20][O:21]C(=CC(=O)Cl)Cc1ccccc1.c1ccc(cc1)CC(=CC(=O)Cl)O.[OH-:10].[OH-]

OrbPairId : 14599225, Prediction : 20.295844

OPReactantPairId: 1802, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

C[CH+:20]CCC[c:11]1[cH:10]cccc1.C[CH+]CCCc1ccccc1

OrbPairId : 964, Prediction : 2.873798

Neg data

C[CH+:20]CCCc1c[cH:11][cH:10]cc1.C[CH+]CCCc1ccccc1

OrbPairId : 10148905, Prediction : 5.472341

C[CH+:20]CCC[c:13]1[cH:12][cH:11][cH:10]cc1.C[CH+]CCCc1ccccc1

OrbPairId : 10025916, Prediction : 4.733788

OPReactantPairId: 2237, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

[H:20][OH2+:21].COC[CH:11]=[CH2:10].COCC=C.[OH3+]

OrbPairId : 1444, Prediction : 5.629628

Neg data

[H:20][OH2+:21].C[O:10]CC=C.COCC=C.[OH3+]

OrbPairId : 10720317, Prediction : 7.986274

OPReactantPairId: 3414, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

C[CH:20]=[O:21].CC=O.[CH2-:10][N+](=O)[O-].[CH2-][N+](=O)[O-]

OrbPairId : 3173, Prediction : 28.606917

Neg data

CC=O.CC=O.[CH2-:10][N+:20](=[O:21])[O-].[CH2-][N+](=O)[O-]

OrbPairId : 14023243, Prediction : 34.358204

OPReactantPairId: 2601, ReactionConditionsId: 3

NumPos: 1, numNeg: 2

Pos data

CC[O-:10].CC[O-].CC(=O)[CH2:20][Br:21].CC(=O)CBr

OrbPairId : 1847, Prediction : 12.670810

Neg data

[H:20][CH:21]([C:22](=[O:23])C)Br.CC[O-:10].CC[O-].CC(=O)CBr

OrbPairId : 11804400, Prediction : 17.424038

CC[O-:10].CC[O-].C[C:20](=[O:21])CBr.CC(=O)CBr

OrbPairId : 11804371, Prediction : 15.391723

OPReactantPairId: 3568, ReactionConditionsId: 1

NumPos: 3, numNeg: 3

Pos data

CCC1CCCC([CH:20]1[Cl:21])C.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 3339, Prediction : 19.472789

[H:20][C:21]1(CCCC([CH:22]1[Cl:23])C)CC.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 3342, Prediction : 10.720447

[H:20][C:21]1(CCCC([CH:22]1[Cl:23])CC)C.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 3344, Prediction : 9.759682

Neg data

[H:20][C:21]1(C(CCCC1CC)C)Cl.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 14482652, Prediction : 15.444072

[H:20][C:21]1(CCCC(C1Cl)C)CC.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 14482629, Prediction : 14.922023

[H:20][C:21]1(CCCC(C1Cl)CC)C.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 14482587, Prediction : 13.834401

OPReactantPairId: 3430, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

CCO[C:20](=[O:21])C.CCOC(=O)C.[CH2-:10][N+](=O)[O-].[CH2-][N+](=O)[O-]

OrbPairId : 3190, Prediction : 27.821688

Neg data

CCOC(=O)C.CCOC(=O)C.[CH2-:10][N+:20](=[O:21])[O-].[CH2-][N+](=O)[O-]

OrbPairId : 14125592, Prediction : 34.358204

OPReactantPairId: 3564, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

[H:20][CH:21]1CCC[C:3]([CH:22]1[Br:23])([H:2])C.CC1CCCCC1Br.[OH-:10].[OH-]

OrbPairId : 3336, Prediction : 20.677002

Neg data

[H:20][C:21]1(CCCC[CH:22]1[Br:23])C.CC1CCCCC1Br.[OH-:10].[OH-]

OrbPairId : 14476780, Prediction : 21.281299

CC1CCCC[CH:20]1[Br:21].CC1CCCCC1Br.[OH-:10].[OH-]

OrbPairId : 14476744, Prediction : 23.121119

OPReactantPairId: 3228, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

[H:20][NH+:21](C(C)[O-])O.CC([NH2+]O)[O-].[NH2:10]O.NO

OrbPairId : 2958, Prediction : -3.543526

Neg data

[H:20][NH+:21](C(C)[O-])O.CC([NH2+]O)[O-:10].NO.NO

OrbPairId : 13304963, Prediction : -2.122051

OPReactantPairId: 3717, ReactionConditionsId: 2

NumPos: 2, numNeg: 1

Pos data

c1c[cH:10][c:11](cc1)Br.c1ccc(cc1)Br.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3518, Prediction : -7.270598

[cH:10]1[cH:11][cH:12][c:13](cc1)Br.c1ccc(cc1)Br.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3517, Prediction : -6.051151

Neg data

[cH:12]1[cH:13]cc([cH:10][cH:11]1)Br.c1ccc(cc1)Br.[N+:20](=[O:21])=O.[N+](=O)=O

OrbPairId : 14976130, Prediction : -7.018640

OPReactantPairId: 2707, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

c1ccc(cc1)[CH2:20][Br:21].c1ccc(cc1)CBr.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 2251, Prediction : 30.635309

Neg data

c1ccc(cc1)CBr.c1ccc(cc1)CBr.[CH-:10]([C:20]#[N:21])C#N.[CH-](C#N)C#N

OrbPairId : 12521724, Prediction : 30.740763

OPReactantPairId: 2319, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

C[OH:10].CO.c1ccc(cc1)[C:20](=[O:21])Cl.c1ccc(cc1)C(=O)Cl

OrbPairId : 1533, Prediction : -13.131037

Neg data

[H:20][O:21]C.C[OH:10].c1ccc(cc1)C(=O)Cl.c1ccc(cc1)C(=O)Cl

OrbPairId : 11157014, Prediction : -13.077306

OPReactantPairId: 2319, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

C[OH:10].CO.c1ccc(cc1)[C:20](=[O:21])Cl.c1ccc(cc1)C(=O)Cl

OrbPairId : 2252, Prediction : -13.207369

Neg data

[H:20][O:21]C.C[OH:10].c1ccc(cc1)C(=O)Cl.c1ccc(cc1)C(=O)Cl

OrbPairId : 11751827, Prediction : -13.206944

OPReactantPairId: 3134, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

[H:20][C:21](=[N:22][O:23]C(=O)C)C(CO)O.CC(=O)[O-:10].CC(=O)[O-].CC(=O)ON=CC(CO)O

OrbPairId : 2663, Prediction : -7.273015

Neg data

CC(=O)[O-].CC(=O)[O-].C[C:20](=[O:21])ON=CC(CO)[OH:10].CC(=O)ON=CC(CO)O

OrbPairId : 13144492, Prediction : -4.695238

OPReactantPairId: 2955, ReactionConditionsId: 3

NumPos: 2, numNeg: 1

Pos data

[H:20][C:21]1(CC=CC([CH:22]1[N+:23](C)(C)C)C)C.CC1CC=CC(C1[N+](C)(C)C)C.[OH-:10].[OH-]

OrbPairId : 2237, Prediction : 16.644225

[H:20][C:21]1(C=CCC([CH:22]1[N+:23](C)(C)C)C)C.CC1CC=CC(C1[N+](C)(C)C)C.[OH-:10].[OH-]

OrbPairId : 2234, Prediction : 14.633732

Neg data

[H:20][C:21]1(C(CC=CC1C)C)[N+](C)(C)C.CC1CC=CC(C1[N+](C)(C)C)C.[OH-:10].[OH-]

OrbPairId : 12554808, Prediction : 16.198574

OPReactantPairId: 2438, ReactionConditionsId: 6

NumPos: 2, numNeg: 7

Pos data

[H:20][C:21]1(CCCC([CH:22]1[Cl:23])CC)C.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 1668, Prediction : 11.895047

[H:20][C:21]1(CCCC([CH:22]1[Cl:23])C)CC.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 1665, Prediction : 12.890294

Neg data

CCC1CCCC([CH:20]1[Cl:21])C.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 11683995, Prediction : 20.987348

[H:20][C:21]1(C(CCCC1CC)C)Cl.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 11679775, Prediction : 17.503483

[H:20][C:21]1(CCCC(C1Cl)C)CC.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 11679709, Prediction : 17.015244

[H:20][C:21]1(CCCC(C1Cl)CC)C.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 11679646, Prediction : 15.903208

[H:20][CH:21]1CCC(C(C1CC)Cl)C.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 11679528, Prediction : 15.738253

[H:20][CH:21]1CCC(C(C1C)Cl)CC.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 11679465, Prediction : 15.802339

[H:20][CH:21]1CC(C(C(C1)CC)Cl)C.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 11679408, Prediction : 16.290314

OPReactantPairId: 3256, ReactionConditionsId: 2

NumPos: 1, numNeg: 5

Pos data

[H:10][CH:11]([CH+:20]C)Oc1ccccc1.C[CH+]COc1ccccc1

OrbPairId : 2990, Prediction : -3.281052

Neg data

C[CH+:20]COc1ccc[cH:11][cH:10]1.C[CH+]COc1ccccc1

OrbPairId : 13680307, Prediction : -0.275209

C[CH+:20]COc1c[cH:13][cH:12][cH:11][cH:10]1.C[CH+]COc1ccccc1

OrbPairId : 13614165, Prediction : -1.056022

C[CH+:20]COc1c[cH:11][cH:10]cc1.C[CH+]COc1ccccc1

OrbPairId : 13608208, Prediction : 6.368528

C[CH+:20]C[O:12][c:11]1[cH:10]cccc1.C[CH+]COc1ccccc1

OrbPairId : 13468557, Prediction : 2.999505

C[CH+:20]CO[c:13]1[cH:12][cH:11][cH:10]cc1.C[CH+]COc1ccccc1

OrbPairId : 13527484, Prediction : 5.885411

OPReactantPairId: 1802, ReactionConditionsId: 2

NumPos: 1, numNeg: 2

Pos data

C[CH+:20]CCC[c:11]1[cH:10]cccc1.C[CH+]CCCc1ccccc1

OrbPairId : 3054, Prediction : 2.788304

Neg data

C[CH+:20]CCCc1c[cH:11][cH:10]cc1.C[CH+]CCCc1ccccc1

OrbPairId : 10139790, Prediction : 5.383568

C[CH+:20]CCC[c:13]1[cH:12][cH:11][cH:10]cc1.C[CH+]CCCc1ccccc1

OrbPairId : 10020618, Prediction : 4.645641

OPReactantPairId: 3004, ReactionConditionsId: 1

NumPos: 2, numNeg: 1

Pos data

CC[CH+:20]O.CC[CH+]O.CC(C[OH:10])Br.CC(CO)Br

OrbPairId : 2491, Prediction : 15.379420

[H:20][CH:21](C)[CH+:22]O.CC[CH+]O.CC(C[OH:10])Br.CC(CO)Br

OrbPairId : 2490, Prediction : 12.205247

Neg data

CC[CH+:20][OH:10].CC[CH+]O.CC(CO)Br.CC(CO)Br

OrbPairId : 12779019, Prediction : 20.131730

OPReactantPairId: 2545, ReactionConditionsId: 3

NumPos: 2, numNeg: 4

Pos data

[H:20][C:21]1(CCCC([CH:22]1[Cl:23])C)CC.CCC1CCCC(C1Cl)C.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 1784, Prediction : 2.591038

[H:20][C:21]1(CCCC([CH:22]1[Cl:23])CC)C.CCC1CCCC(C1Cl)C.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 1785, Prediction : 1.524902

Neg data

CCC1CCCC([CH:20]1[Cl:21])C.CCC1CCCC(C1Cl)C.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 12196721, Prediction : 12.725633

[H:20][C:21]1(C(CCCC1CC)C)Cl.CCC1CCCC(C1Cl)C.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 12191315, Prediction : 7.165834

[H:20][C:21]1(CCCC(C1Cl)C)CC.CCC1CCCC(C1Cl)C.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 12191236, Prediction : 6.650050

[H:20][C:21]1(CCCC(C1Cl)CC)C.CCC1CCCC(C1Cl)C.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 12191149, Prediction : 5.447565

OPReactantPairId: 2707, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

c1ccc(cc1)[CH2:20][Br:21].c1ccc(cc1)CBr.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 1962, Prediction : 31.055078

Neg data

c1ccc(cc1)CBr.c1ccc(cc1)CBr.[CH-:10]([C:20]#[N:21])C#N.[CH-](C#N)C#N

OrbPairId : 12519635, Prediction : 31.133053

OPReactantPairId: 2525, ReactionConditionsId: 3

NumPos: 1, numNeg: 2

Pos data

[H:20][CH:21]1CCC[C:3]([CH:22]1[Br:23])([H:2])C.CC1CCCCC1Br.C[O-:10].C[O-]

OrbPairId : 1764, Prediction : 10.482521

Neg data

[H:20][C:21]1(CCCC[CH:22]1[Br:23])C.CC1CCCCC1Br.C[O-:10].C[O-]

OrbPairId : 11572214, Prediction : 11.155008

CC1CCCC[CH:20]1[Br:21].CC1CCCCC1Br.C[O-:10].C[O-]

OrbPairId : 11572113, Prediction : 14.110352

OPReactantPairId: 2972, ReactionConditionsId: 1

NumPos: 1, numNeg: 12

Pos data

[H:10][C:11](C)([CH+:20]C)c1ccccc1.C[CH+]C(C)c1ccccc1

OrbPairId : 2282, Prediction : -10.379893

Neg data

[H:10][CH2:11][CH+:20]C(C)c1ccccc1.C[CH+]C(C)c1ccccc1

OrbPairId : 12962710, Prediction : -10.371414

C[CH+]C(C)c1ccc[cH:11][cH:10]1.C[CH+:20]C(C)c1ccccc1

OrbPairId : 12920518, Prediction : -9.493161

C[CH+:20]C(C)c1ccc[cH:11][cH:10]1.C[CH+]C(C)c1ccccc1

OrbPairId : 12920451, Prediction : -4.204326

C[CH+:20]C(C)c1c[cH:13][cH:12][cH:11][cH:10]1.C[CH+]C(C)c1ccccc1

OrbPairId : 12839339, Prediction : -4.367537

C[CH+]C(C)c1c[cH:11][cH:10]cc1.C[CH+:20]C(C)c1ccccc1

OrbPairId : 12830208, Prediction : -9.272337

C[CH+:20]C(C)c1c[cH:11][cH:10]cc1.C[CH+]C(C)c1ccccc1

OrbPairId : 12830136, Prediction : 1.480523

C[CH+:20]C(C)c1c[cH:10][cH:11]cc1.C[CH+]C(C)c1ccccc1

OrbPairId : 12794333, Prediction : -10.234561

C[CH+:20]C(C)c1ccc[cH:10][cH:11]1.C[CH+]C(C)c1ccccc1

OrbPairId : 12885097, Prediction : -6.439469

C[CH+:20]C(C)[c:13]1[cH:12][cH:11][cH:10]cc1.C[CH+]C(C)c1ccccc1

OrbPairId : 12748709, Prediction : 1.906382

C[CH+:20]C(C)[c:11]1[cH:10]cccc1.C[CH+]C(C)c1ccccc1

OrbPairId : 12740317, Prediction : -4.697148

C[CH+]C(C)[c:12]1[cH:13]cc[cH:10][cH:11]1.C[CH+:20]C(C)c1ccccc1

OrbPairId : 12731688, Prediction : -4.385207

C[CH+:20]C(C)[c:12]1[cH:13]cc[cH:10][cH:11]1.C[CH+]C(C)c1ccccc1

OrbPairId : 12731608, Prediction : -7.466730

OPReactantPairId: 3370, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

C[C:20](=[O:21])C.CC(=O)C.[CH2-:10][N+](=O)[O-].[CH2-][N+](=O)[O-]

OrbPairId : 3124, Prediction : 28.482752

Neg data

CC(=O)C.CC(=O)C.[CH2-:10][N+:20](=[O:21])[O-].[CH2-][N+](=O)[O-]

OrbPairId : 13869087, Prediction : 34.358204

OPReactantPairId: 1544, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

[H:20][Br:21].COC[CH:11]=[CH2:10].COCC=C.Br

OrbPairId : 691, Prediction : 0.812581

Neg data

[H:20][Br:21].C[O:10]CC=C.COCC=C.Br

OrbPairId : 9233228, Prediction : 5.662105

OPReactantPairId: 1732, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

[H:20][OH+:21]C(C)(C)Br.CC(C)([OH2+])Br.[OH2:10].O

OrbPairId : 888, Prediction : 25.955555

Neg data

[H:20][OH+:21][C:22](C)(C)[Br:23].CC(C)([OH2+])Br.[OH2:10].O

OrbPairId : 9587178, Prediction : 32.623978

OPReactantPairId: 2799, ReactionConditionsId: 7

NumPos: 2, numNeg: 10

Pos data

[H:20][C:21]1(CCCC([CH:22]1[Cl:23])C)CC.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 2064, Prediction : 4.743505

[H:20][C:21]1(CCCC([CH:22]1[Cl:23])CC)C.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 2065, Prediction : 3.687239

Neg data

CCC1CCCC([CH:20]1[Cl:21])C.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12486600, Prediction : 14.187707

[H:20][C:21]1(C(CCCC1CC)C)Cl.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484410, Prediction : 9.433194

[H:20][C:21]1(CCCC(C1Cl)C)CC.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484373, Prediction : 8.867385

[H:20][C:21]1(CCCC(C1Cl)CC)C.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484345, Prediction : 7.697149

[H:20][CH:21](C)C1CCCC(C1Cl)C.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484313, Prediction : 5.979196

[H:20][CH:21]1CCC(C(C1CC)Cl)C.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484284, Prediction : 7.523410

[H:20][CH:21]1CCC(C(C1C)Cl)CC.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484249, Prediction : 7.587211

[H:20][CH:21]1CC(C(C(C1)CC)Cl)C.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484223, Prediction : 8.104161

[H:20][CH2:21]C1CCCC(C1Cl)CC.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484184, Prediction : 5.616748

[H:20][CH2:21]CC1CCCC(C1Cl)C.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12484150, Prediction : 6.261798

OPReactantPairId: 1441, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

C1[CH:20]([OH+:21]1)CO.C1C([OH+]1)CO.C1C(O1)C[OH:10].C1C(O1)CO

OrbPairId : 571, Prediction : 14.106824

Neg data

C1[CH:20]([OH+:21]1)CO.C1C([OH+]1)CO.C1C([O:10]1)CO.C1C(O1)CO

OrbPairId : 9229322, Prediction : 15.180921