Misranked Orb Pair Display

OPReactantPairId: 3338, ReactionConditionsId: 2

NumPos: 2, numNeg: 1, Link

Pos data

C[CH+:20]OC1=CC=CC=C1.C[CH+]OC1=CC=CC=C1.C=CO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=COC1=CC=CC=C1

OrbPairId : 3923, Prediction : -26.511132

C[CH+:20]OC1=CC=CC=C1.C[CH+]OC1=CC=CC=C1.C=CO[C:11]1=[CH:10]C=CC=C1.C=COC1=CC=CC=C1

OrbPairId : 3924, Prediction : -25.205410

Neg data

C[CH+]Oc1ccccc1.C[CH+:20]OC1=CC=CC=C1.C=COc1ccccc1.[CH2:10]=[CH:11]OC1=CC=CC=C1

OrbPairId : 4043281, Prediction : -23.284053

OPReactantPairId: 2795, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CCO[C:20](=[O:21])CCC(=O)N(C)C.CCOC(=O)CCC(=O)N(C)C

OrbPairId : 2904, Prediction : -11.570465

Neg data

[Li]c1ccccc1.[Li:11][C:10]1=CC=CC=C1.CCOC(=O)CC[C:20](=[O:21])N(C)C.CCOC(=O)CCC(=O)N(C)C

OrbPairId : 3437537, Prediction : -11.505571

OPReactantPairId: 2552, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=C[C:20](=[O:21])Cl)O.C1=CC=C(C=C1)CC(=CC(=O)Cl)O

OrbPairId : 3278, Prediction : -26.719817

Neg data

[H:20][O:21]C(=CC(=O)Cl)CC1=CC=CC=C1.CC[O-:10].CC[O-].c1ccc(cc1)CC(=CC(=O)Cl)O

OrbPairId : 2473249, Prediction : -25.708004

OPReactantPairId: 2667, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

[H:20][OH2+:21].CCOC(=O)CC(C)(NC)[OH:10].CCOC(=O)CC(C)(NC)O.[OH3+]

OrbPairId : 2764, Prediction : -26.643178

Neg data

[H:20][OH2+:21].CCOC(=O)CC(C)([NH:10]C)O.CCOC(=O)CC(C)(NC)O.[OH3+]

OrbPairId : 2447223, Prediction : -23.611689

OPReactantPairId: 1814, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

CC[C:20]#[NH+:21].CCC#[NH+].CC[OH:10].CCO

OrbPairId : 1833, Prediction : -39.386115

Neg data

[H:20][N+:21]#CCC.CCC#[NH+].CC[OH:10].CCO

OrbPairId : 436118, Prediction : -35.061188

OPReactantPairId: 2552, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 2641, Prediction : -29.166180

Neg data

OrbPairId : 3318926, Prediction : -28.307710

OPReactantPairId: 1529, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

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

OrbPairId : 1525, Prediction : -29.825530

Neg data

OrbPairId : 20909, Prediction : -26.792296

OPReactantPairId: 2033, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

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

OrbPairId : 2066, Prediction : -27.443340

Neg data

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

OrbPairId : 945320, Prediction : -26.109264

OPReactantPairId: 3227, ReactionConditionsId: 2

NumPos: 1, numNeg: 1, Link

Pos data

CO[C:13]1=[C:12]([CH:11]=[CH:10]C(=C1)[N+](=O)[O-])Br.COC1=C(C=CC(=C1)[N+](=O)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 3638, Prediction : -29.336870

Neg data

COc1cc(ccc1Br)[N+](=O)[O-].COC1=C([CH:13]=[CH:12][C:11](=[CH:10]1)[N+](=O)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 3968804, Prediction : -28.113660

OPReactantPairId: 2066, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

[H:20][O+:21]=C(C)C1=CC=CC=C1.CC(=[OH+])C1=CC=CC=C1.[OH2:10].O

OrbPairId : 2102, Prediction : -20.031909

Neg data

CC(=[OH+])c1ccccc1.C[C:20](=[OH+:21])C1=CC=CC=C1.[OH2:10].O

OrbPairId : 981801, Prediction : -18.896168

OPReactantPairId: 3663, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

C1=CC=C(C=C1)CC(=C[C:20](=[O:21])Cl)O.C1=CC=C(C=C1)CC(=CC(=O)Cl)O.[OH-:10].[OH-]

OrbPairId : 4286, Prediction : -19.419617

Neg data

[H:20][O:21]C(=CC(=O)Cl)CC1=CC=CC=C1.c1ccc(cc1)CC(=CC(=O)Cl)O.[OH-:10].[OH-]

OrbPairId : 5085645, Prediction : -16.873926

OPReactantPairId: 1884, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

CC[NH2:10].CCN.C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 1909, Prediction : -36.158302

Neg data

CCN.CCN.[CH2:11]=[CH:10][C:20](=O)[Cl:21].C=CC(=O)Cl

OrbPairId : 590640, Prediction : -32.718424

OPReactantPairId: 3775, ReactionConditionsId: 3

NumPos: 1, numNeg: 4, Link

Pos data

[H:20][O+:21]=C1CCCCC1.C1CCC(=[OH+])CC1.C1=CC=[N:10]C=C1.C1=CC=NC=C1

OrbPairId : 4413, Prediction : -38.988583

Neg data

c1ccncc1.C1CC[C:20](=[OH+:21])CC1.C1CCC(=[OH+])CC1.[CH:12]1=[CH:13]C=N[CH:10]=[CH:11]1

OrbPairId : 5418615, Prediction : -36.512841

[H:20][O+:21]=C1CCCCC1.c1ccncc1.C1CCC(=[OH+])CC1.[CH:12]1=[CH:13]C=N[CH:10]=[CH:11]1

OrbPairId : 5416546, Prediction : -35.516904

c1ccncc1.C1CC[C:20](=[OH+:21])CC1.C1CCC(=[OH+])CC1.[CH:10]1=[CH:11]C=NC=C1

OrbPairId : 5411447, Prediction : -37.864082

[H:20][O+:21]=C1CCCCC1.c1ccncc1.C1CCC(=[OH+])CC1.[CH:10]1=[CH:11]C=NC=C1

OrbPairId : 5409319, Prediction : -36.750521

OPReactantPairId: 2019, ReactionConditionsId: 2

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 3881, Prediction : -29.604066

Neg data

OrbPairId : 909648, Prediction : -23.769733

OPReactantPairId: 1884, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 2562, Prediction : -38.688494

Neg data

OrbPairId : 595465, Prediction : -35.629369

OPReactantPairId: 2817, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.COC(=O)C1CC[C:20](=[O:21])CC1.COC(=O)C1CCC(=O)CC1

OrbPairId : 2927, Prediction : -12.943165

Neg data

[Li]c1ccccc1.[Li:11][C:10]1=CC=CC=C1.CO[C:20](=[O:21])C1CCC(=O)CC1.COC(=O)C1CCC(=O)CC1

OrbPairId : 3024165, Prediction : -11.793382

OPReactantPairId: 2723, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

CC[OH:10].CCO.C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 2826, Prediction : -43.010182

Neg data

CCO.CCO.[CH2:11]=[CH:10][C:20](=O)[Cl:21].C=CC(=O)Cl

OrbPairId : 2531520, Prediction : -35.629369

OPReactantPairId: 2723, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 3235, Prediction : -40.604675

Neg data

OrbPairId : 2525954, Prediction : -32.718424

OPReactantPairId: 2394, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

CCO[C:20]1([CH2:21]C1C)[O-:10].CCOC1(CC1C)[O-]

OrbPairId : 3389, Prediction : -37.377924

Neg data

CCOC1(CC1C)[O-:10].CC[O:21][C:20]1(CC1C)[O-]

OrbPairId : 1813698, Prediction : -33.316696

OPReactantPairId: 2738, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

[H:20][OH2+:21].CCC(C)(N1CCCC1)[OH:10].CCC(C)(N1CCCC1)O.[OH3+]

OrbPairId : 2843, Prediction : -26.509266

Neg data

[H:20][OH2+:21].CCC(C)([N:10]1CCCC1)O.CCC(C)(N1CCCC1)O.[OH3+]

OrbPairId : 2610121, Prediction : -25.312324

OPReactantPairId: 1538, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

[H:20][O+:21]=CCCBr.C(CBr)C=[OH+].[Br-:10].[Br-]

OrbPairId : 1534, Prediction : -13.758111

Neg data

C(CBr)[CH:20]=[OH+:21].C(CBr)C=[OH+].[Br-:10].[Br-]

OrbPairId : 6009, Prediction : -7.013438

OPReactantPairId: 2394, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 2466, Prediction : -40.207272

Neg data

OrbPairId : 1812271, Prediction : -36.240918

OPReactantPairId: 1486, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

CC(C)C[CH2:20][OH2+:21].CC(C)CC[OH2+].[Br-:10].[Br-]

OrbPairId : 1476, Prediction : -11.465347

Neg data

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

OrbPairId : 84150, Prediction : -9.550842

OPReactantPairId: 3326, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

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

OrbPairId : 3910, Prediction : -35.530261

Neg data

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

OrbPairId : 4030790, Prediction : -33.817264

OPReactantPairId: 2019, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 2052, Prediction : -29.120563

Neg data

OrbPairId : 909613, Prediction : -23.195097

OPReactantPairId: 2253, ReactionConditionsId: 2

NumPos: 1, numNeg: 1, Link

Pos data

C1C[CH2:10][C:11]2(C1)CCC[CH+:20]2.C1CCC2(C1)CCC[CH+]2

OrbPairId : 2306, Prediction : -40.771806

Neg data

C1CC[C:11]2(C1)[CH2:10]CC[CH+:20]2.C1CCC2(C1)CCC[CH+]2

OrbPairId : 1423795, Prediction : -40.425577