Misranked Orb Pair Display

OPReactantPairId: 3221, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

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 : 3607, Prediction : 50.778365

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 : 3855500, Prediction : 53.473038

OPReactantPairId: 2123, ReactionConditionsId: 6

NumPos: 1, numNeg: 3, Link

Pos data

[H:20][C:21]1=[C:22](C(=CC=C1)C)[I:23].CC1=CC=CC=C1I.[NH2-:10].[NH2-]

OrbPairId : 2161, Prediction : 61.499671

Neg data

[H:20][CH2:21][C:22]1=[C:23](C=CC=C1)I.Cc1ccccc1I.[NH2-:10].[NH2-]

OrbPairId : 1282533, Prediction : 68.410460

Cc1ccccc1I.C[C:21]1=[C:20](C=C[CH:23]=[CH:22]1)I.[NH2-:10].[NH2-]

OrbPairId : 1281863, Prediction : 66.795646

[H:20][CH2:21]C1=C(C=CC=C1)I.Cc1ccccc1I.[NH2-:10].[NH2-]

OrbPairId : 1280592, Prediction : 69.162278

OPReactantPairId: 2741, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

CC[CH2:20][Br:21].CCCBr.C1=CC2=C(C=C1)C(=O)[N-:10]C2=O.C1=CC2=C(C=C1)C(=O)[N-]C2=O

OrbPairId : 2847, Prediction : 72.010190

Neg data

[H:20][CH:21](C)[CH2:22][Br:23].CCCBr.c1ccc2c(c1)C(=O)[N-]C2=O.C1=CC2=C(C=C1)C(=O)[N-:10]C2=O

OrbPairId : 2770033, Prediction : 74.486041

OPReactantPairId: 1887, ReactionConditionsId: 1

NumPos: 2, numNeg: 1, Link

Pos data

[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N.[Br:20][Br:21].BrBr

OrbPairId : 1913, Prediction : 69.513569

C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N.[Br:20][Br:21].BrBr

OrbPairId : 1914, Prediction : 69.509829

Neg data

c1ccc2cc(ccc2c1)C#N.[CH:10]1=[CH:11]C2=C(C=C1)C=C(C=C2)C#N.[Br:20][Br:21].BrBr

OrbPairId : 635924, Prediction : 69.555161

OPReactantPairId: 2741, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 3453, Prediction : 74.809470

Neg data

OrbPairId : 2756015, Prediction : 75.221822

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 : 76.797357

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 : 77.412209

OPReactantPairId: 2075, ReactionConditionsId: 2

NumPos: 1, numNeg: 1, Link

Pos data

C1CC[C:20]2=[NH+:21]CCCC2C1.C1CCC2=[NH+]CCCC2C1.[OH2:10].O

OrbPairId : 3747, Prediction : 67.092685

Neg data

[H:20][N+:21]1=C2CCCCC2CCC1.C1CCC2=[NH+]CCCC2C1.[OH2:10].O

OrbPairId : 1519707, Prediction : 68.944072

OPReactantPairId: 2261, ReactionConditionsId: 2

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 3815, Prediction : 65.339735

Neg data

OrbPairId : 1355236, Prediction : 68.731160

OPReactantPairId: 3116, ReactionConditionsId: 6

NumPos: 1, numNeg: 1, Link

Pos data

[H-].[H-:10].[H:20][N:21](C)C(=O)C=C(CC1=CC=CC=C1)O.CNC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3475, Prediction : 78.621793

Neg data

[H-].[H-:10].[H:20][O:21]C(=CC(=O)NC)CC1=CC=CC=C1.CNC(=O)C=C(Cc1ccccc1)O

OrbPairId : 3467758, Prediction : 82.857403

OPReactantPairId: 2028, ReactionConditionsId: 2

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 3875, Prediction : 69.092693

Neg data

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

OrbPairId : 926138, Prediction : 70.688277

OPReactantPairId: 2172, ReactionConditionsId: 6

NumPos: 1, numNeg: 1, Link

Pos data

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

OrbPairId : 2216, Prediction : 52.394885

Neg data

[CH:11]1=[CH:10][CH:20]([N-]C=C1)[NH2:21].C1=CC([N-]C=C1)N

OrbPairId : 1183803, Prediction : 54.220061

OPReactantPairId: 1622, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

CC[OH:10].CCO.C[CH:20]=[NH+:21]C.CC=[NH+]C

OrbPairId : 1622, Prediction : 59.763109

Neg data

[H:20][N+:21](=CC)C.CC[OH:10].CCO.CC=[NH+]C

OrbPairId : 66856, Prediction : 60.245783

OPReactantPairId: 2028, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 2061, Prediction : 69.198782

Neg data

OrbPairId : 923137, Prediction : 70.856384

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 : 87.984414

Neg data

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

OrbPairId : 84150, Prediction : 92.401023

OPReactantPairId: 1887, ReactionConditionsId: 2

NumPos: 2, numNeg: 1, Link

Pos data

OrbPairId : 3639, Prediction : 69.314699

OrbPairId : 3640, Prediction : 69.311197

Neg data

OrbPairId : 634549, Prediction : 69.356590

OPReactantPairId: 3491, ReactionConditionsId: 2

NumPos: 2, numNeg: 2, Link

Pos data

C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N

OrbPairId : 4097, Prediction : 70.861636

C[CH+:20]C.C[CH+]C.C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N

OrbPairId : 4100, Prediction : 70.840777

Neg data

C[CH+:20]C.C[CH+]C.c1ccc2cc(ccc2c1)C#N.C1=CC2=C(C=C1)[CH:10]=[C:11](C=C2)C#N

OrbPairId : 4835015, Prediction : 71.289393

C[CH+:20]C.C[CH+]C.c1ccc2cc(ccc2c1)C#N.[CH:10]1=[CH:11]C2=C(C=C1)C=C(C=C2)C#N

OrbPairId : 4587563, Prediction : 70.843776

OPReactantPairId: 3083, ReactionConditionsId: 1

NumPos: 1, numNeg: 3, Link

Pos data

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

OrbPairId : 3329, Prediction : 54.191001

Neg data

C=C[CH+]c1ccccc1.C=C[CH+:20][C:13]1=[CH:12][CH:11]=[CH:10]C=C1

OrbPairId : 3547044, Prediction : 61.501029

C=C[CH+]c1ccccc1.C=C[CH+:20][C:11]1=[CH:10]C=CC=C1

OrbPairId : 3535978, Prediction : 55.305432

C=C[CH+]c1ccccc1.C=C[CH+:20][C:12]1=[CH:13]C=C[CH:10]=[CH:11]1

OrbPairId : 3522847, Prediction : 55.805583

OPReactantPairId: 2075, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 2112, Prediction : 67.198221

Neg data

OrbPairId : 1485159, Prediction : 69.105931

OPReactantPairId: 2642, ReactionConditionsId: 3

NumPos: 1, numNeg: 1, Link

Pos data

C[C:20](=[O:21])CC1=CC=NC=C1.CC(=O)CC1=CC=NC=C1.[CH2-:10]C1=CC=NC=C1.[CH2-]C1=CC=NC=C1

OrbPairId : 2739, Prediction : 76.008336

Neg data

CC(=O)Cc1ccncc1.CC(=O)Cc1ccncc1.[CH2-]c1ccncc1.[CH2-:10][C:20]1=[CH:21][CH:22]=[N:23]C=C1

OrbPairId : 2324234, Prediction : 76.788749

OPReactantPairId: 3381, ReactionConditionsId: 2

NumPos: 1, numNeg: 1, Link

Pos data

C[CH+:20]CCCO[C:11]1=[CH:10]C=CC=C1.C[CH+]CCCOC1=CC=CC=C1

OrbPairId : 3972, Prediction : 67.005573

Neg data

C[CH+]CCCOc1ccccc1.C[CH+:20]CCCO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1

OrbPairId : 4283434, Prediction : 68.156586

OPReactantPairId: 2874, ReactionConditionsId: 8

NumPos: 1, numNeg: 1, Link

Pos data

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

OrbPairId : 2997, Prediction : 74.310091

Neg data

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

OrbPairId : 2952229, Prediction : 77.113721

OPReactantPairId: 2261, ReactionConditionsId: 1

NumPos: 1, numNeg: 1, Link

Pos data

OrbPairId : 2318, Prediction : 65.415333

Neg data

OrbPairId : 1351621, Prediction : 68.871443