Misranked Orb Pair Display

OPReactantPairId: 1587, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

C[C:20](=[OH+:21])C.CC(=[OH+])C.C[C:11](=[CH2:10])[OH:12].CC(=C)O

OrbPairId : 735, Prediction : -56.215598

Neg data

[H:20][O+:21]=C(C)C.CC(=[OH+])C.C[C:11](=[CH2:10])[OH:12].CC(=C)O

OrbPairId : 9302686, Prediction : -55.152793

OPReactantPairId: 2540, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 2403, Prediction : -75.351827

Neg data

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

OrbPairId : 11616698, Prediction : -72.442655

OPReactantPairId: 2409, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

CC[CH2:20][Br:21].CCCBr.c1ccc2c(c1)C(=O)[N-:10]C2=O.c1ccc2c(c1)C(=O)[N-]C2=O

OrbPairId : 2442, Prediction : -52.554891

Neg data

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

OrbPairId : 12346067, Prediction : -49.849813

OPReactantPairId: 1966, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 1139, Prediction : -58.467031

Neg data

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

OrbPairId : 10117306, Prediction : -58.404587

OPReactantPairId: 3325, ReactionConditionsId: 2

NumPos: 2, numNeg: 3

Pos data

C[CH+:20]Oc1ccccc1.C[CH+]Oc1ccccc1.C=CO[c:13]1[cH:12][cH:11][cH:10]cc1.C=COc1ccccc1

OrbPairId : 3071, Prediction : -59.675627

C[CH+:20]Oc1ccccc1.C[CH+]Oc1ccccc1.C=CO[c:11]1[cH:10]cccc1.C=COc1ccccc1

OrbPairId : 3072, Prediction : -59.537777

Neg data

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

OrbPairId : 13726929, Prediction : -59.445141

[H:20][CH2:21][CH+:22]Oc1ccccc1.C[CH+]Oc1ccccc1.[CH2:10]=[CH:11][O:12]c1ccccc1.C=COc1ccccc1

OrbPairId : 13902205, Prediction : -53.312580

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

OrbPairId : 13688818, Prediction : -54.648940

OPReactantPairId: 2033, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 1215, Prediction : -60.451819

Neg data

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

OrbPairId : 10768743, Prediction : -54.886955

OPReactantPairId: 2630, ReactionConditionsId: 1

NumPos: 1, numNeg: 5

Pos data

C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.[CH2:20]=[CH:21][C:22]#[N:23].C=CC#N

OrbPairId : 2292, Prediction : -85.957332

Neg data

C[C:11](=[CH2:10])N1CCCC1.CC(=C)N1CCCC1.[CH2:21]=[CH:20]C#N.C=CC#N

OrbPairId : 11896946, Prediction : -83.241637

C[C:21](=[CH2:20])N1CCCC1.CC(=C)N1CCCC1.C=CC#N.C=CC#N

OrbPairId : 11893914, Prediction : -79.637979

CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.[CH2:21]=[CH:20]C#N.C=CC#N

OrbPairId : 11907983, Prediction : -82.386023

CC(=C)N1CCCC1.CC(=C)N1CCCC1.[CH2:10]=[CH:11]C#N.[CH2:21]=[CH:20]C#N

OrbPairId : 11863098, Prediction : -85.835900

CC(=C)N1CCCC1.CC(=C)N1CCCC1.[CH2:21]=[CH:20]C#N.C=CC#N

OrbPairId : 11863085, Prediction : -73.315496

OPReactantPairId: 2630, ReactionConditionsId: 3

NumPos: 1, numNeg: 5

Pos data

C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.[CH2:20]=[CH:21][C:22]#[N:23].C=CC#N

OrbPairId : 1879, Prediction : -86.649012

Neg data

CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.[CH2:21]=[CH:20]C#N.C=CC#N

OrbPairId : 11996431, Prediction : -83.056339

C[C:11](=[CH2:10])N1CCCC1.CC(=C)N1CCCC1.[CH2:21]=[CH:20]C#N.C=CC#N

OrbPairId : 11964282, Prediction : -83.891984

C[C:21](=[CH2:20])N1CCCC1.CC(=C)N1CCCC1.C=CC#N.C=CC#N

OrbPairId : 11955506, Prediction : -80.288378

CC(=C)N1CCCC1.CC(=C)N1CCCC1.[CH2:10]=[CH:11]C#N.[CH2:21]=[CH:20]C#N

OrbPairId : 11865366, Prediction : -86.484867

CC(=C)N1CCCC1.CC(=C)N1CCCC1.[CH2:21]=[CH:20]C#N.C=CC#N

OrbPairId : 11865320, Prediction : -73.964666

OPReactantPairId: 2474, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

C[C:20](=[O:21])C.CC(=O)C.[CH2-:10]c1ccncc1.[CH2-]c1ccncc1

OrbPairId : 1706, Prediction : -43.453893

Neg data

CC(=O)C.CC(=O)C.[CH2-:10][c:20]1[cH:21][cH:22][n:23]cc1.[CH2-]c1ccncc1

OrbPairId : 11534732, Prediction : -43.180349

OPReactantPairId: 2033, ReactionConditionsId: 2

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 2836, Prediction : -60.595335

Neg data

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

OrbPairId : 10777820, Prediction : -55.084049

OPReactantPairId: 1435, ReactionConditionsId: 2

NumPos: 2, numNeg: 1

Pos data

C[CH+:20][C:11]1(CCC[CH2:10]1)C.C[CH+]C1(CCCC1)C

OrbPairId : 1213, Prediction : -74.500462

C[CH+:20][C:11]1(CCCC1)[CH3:10].C[CH+]C1(CCCC1)C

OrbPairId : 1214, Prediction : -74.000276

Neg data

[H:10][CH2:11][CH+:20]C1(CCCC1)C.C[CH+]C1(CCCC1)C

OrbPairId : 9183988, Prediction : -73.006354

OPReactantPairId: 2639, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

[Li:11][CH:10]=C.[Li]C=C.c1c[cH:20][n:21]cc1.c1ccncc1

OrbPairId : 1888, Prediction : -44.688340

Neg data

[Li:11][CH:10]=C.[Li]C=C.[cH:20]1[cH:21][cH:22][n:23]cc1.c1ccncc1

OrbPairId : 11907138, Prediction : -43.166256

OPReactantPairId: 2748, ReactionConditionsId: 8

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 2011, Prediction : -44.141355

Neg data

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

OrbPairId : 12170536, Prediction : -42.666272

OPReactantPairId: 1381, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 510, Prediction : -33.432023

Neg data

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

OrbPairId : 9219373, Prediction : -29.859780

OPReactantPairId: 2201, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

[Li:11][c:10]1ccccc1.[Li]c1ccccc1.COC(=O)C1CC[C:20](=[O:21])CC1.COC(=O)C1CCC(=O)CC1

OrbPairId : 1407, Prediction : -39.422848

Neg data

[Li:11][c:10]1ccccc1.[Li]c1ccccc1.CO[C:20](=[O:21])C1CCC(=O)CC1.COC(=O)C1CCC(=O)CC1

OrbPairId : 11078982, Prediction : -35.605215

OPReactantPairId: 2409, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

CC[CH2:20][Br:21].CCCBr.c1ccc2c(c1)C(=O)[N-:10]C2=O.c1ccc2c(c1)C(=O)[N-]C2=O

OrbPairId : 1631, Prediction : -52.801256

Neg data

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

OrbPairId : 12300842, Prediction : -50.110696

OPReactantPairId: 3481, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 3245, Prediction : -47.474756

Neg data

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

OrbPairId : 14245918, Prediction : -46.555642

OPReactantPairId: 2767, ReactionConditionsId: 3

NumPos: 1, numNeg: 2

Pos data

[H:20][O:21]C(=O)C=C.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.C=CC(=O)O

OrbPairId : 2032, Prediction : -81.092993

Neg data

[H:20][O:21]C(=O)C=C.CC(=C)N1CCCC1.CC(=C)N1CCCC1.C=CC(=O)[OH:10]

OrbPairId : 12459434, Prediction : -79.596538

C[C:21](=[CH2:20])N1CCCC1.CC(=C)N1CCCC1.C=CC(=O)O.C=CC(=O)O

OrbPairId : 12230450, Prediction : -80.288378

OPReactantPairId: 2117, ReactionConditionsId: 6

NumPos: 2, numNeg: 2

Pos data

Cc1cc[cH:20][n:21]c1.Cc1cccnc1.[NH2-:10].[NH2-]

OrbPairId : 1306, Prediction : -54.723216

Cc1ccc[n:21][cH:20]1.Cc1cccnc1.[NH2-:10].[NH2-]

OrbPairId : 1307, Prediction : -63.079026

Neg data

Cc1[cH:20][cH:21]cnc1.Cc1cccnc1.[NH2-:10].[NH2-]

OrbPairId : 10471683, Prediction : -62.490892

[H:20][CH2:21]c1cccnc1.Cc1cccnc1.[NH2-:10].[NH2-]

OrbPairId : 10471355, Prediction : -52.417079

OPReactantPairId: 2459, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

[Li:11][c:10]1ccccc1.[Li]c1ccccc1.CN(C)[C:20](=[O:21])CC#N.CN(C)C(=O)CC#N

OrbPairId : 1689, Prediction : -38.632336

Neg data

[H:20][CH:21](C#N)C(=O)N(C)C.[Li:11][c:10]1ccccc1.[Li]c1ccccc1.CN(C)C(=O)CC#N

OrbPairId : 11563038, Prediction : -37.118429

OPReactantPairId: 3477, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

CCC1([CH:20]([O:21]1)C)C.CCC1(C(O1)C)C.[OH-:10].[OH-]

OrbPairId : 3241, Prediction : -43.719964

Neg data

CC[C:20]1(C([O:21]1)C)C.CCC1(C(O1)C)C.[OH-:10].[OH-]

OrbPairId : 14233450, Prediction : -43.654599

OPReactantPairId: 2643, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

CCC1([CH:20]([O:21]1)C)C.CCC1(C(O1)C)C.CC[O-:10].CC[O-]

OrbPairId : 1891, Prediction : -55.536241

Neg data

CC[C:20]1(C([O:21]1)C)C.CCC1(C(O1)C)C.CC[O-:10].CC[O-]

OrbPairId : 12041874, Prediction : -55.294588

OPReactantPairId: 2643, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

CCC1([CH:20]([O:21]1)C)C.CCC1(C(O1)C)C.CC[O-:10].CC[O-]

OrbPairId : 3128, Prediction : -55.129177

Neg data

CC[C:20]1(C([O:21]1)C)C.CCC1(C(O1)C)C.CC[O-:10].CC[O-]

OrbPairId : 12041605, Prediction : -54.901450

OPReactantPairId: 1876, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

CCCN1[C:20](=[OH+:21])c2ccccc2C1=O.CCCN1C(=[OH+])c2ccccc2C1=O.[OH2:10].O

OrbPairId : 1042, Prediction : -46.156285

Neg data

[H:20][O+:21]=C1c2ccccc2C(=O)N1CCC.CCCN1C(=[OH+])c2ccccc2C1=O.[OH2:10].O

OrbPairId : 15410271, Prediction : -45.931089

OPReactantPairId: 1588, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

[H:20][Br:21].C([CH:10]=[CH:11][OH:12])Br.C(C=CO)Br.Br

OrbPairId : 736, Prediction : -60.971781

Neg data

[CH2:20]([CH:10]=[CH:11]O)[Br:21].C(C=CO)Br.Br.Br

OrbPairId : 9312252, Prediction : -60.151080

OPReactantPairId: 1972, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 1923, Prediction : -53.586511

Neg data

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

OrbPairId : 10131233, Prediction : -52.952000

OPReactantPairId: 3618, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

[H:20][NH:21]C(=O)CCNC(=O)C=C.C=CC(=O)NCCC(=O)N.[OH-:10].[OH-]

OrbPairId : 3396, Prediction : -47.647319

Neg data

C=CC(=O)NCC[C:20](=[O:21])N.C=CC(=O)NCCC(=O)N.[OH-:10].[OH-]

OrbPairId : 14620408, Prediction : -47.249202

OPReactantPairId: 3343, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 3091, Prediction : -60.802539

Neg data

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

OrbPairId : 13742505, Prediction : -56.901393

OPReactantPairId: 1876, ReactionConditionsId: 2

NumPos: 1, numNeg: 1

Pos data

CCCN1[C:20](=[OH+:21])c2ccccc2C1=O.CCCN1C(=[OH+])c2ccccc2C1=O.[OH2:10].O

OrbPairId : 2911, Prediction : -46.399822

Neg data

[H:20][O+:21]=C1c2ccccc2C(=O)N1CCC.CCCN1C(=[OH+])c2ccccc2C1=O.[OH2:10].O

OrbPairId : 12152774, Prediction : -46.173146

OPReactantPairId: 1435, ReactionConditionsId: 1

NumPos: 2, numNeg: 1

Pos data

C[CH+:20][C:11]1(CCC[CH2:10]1)C.C[CH+]C1(CCCC1)C

OrbPairId : 564, Prediction : -74.380311

C[CH+:20][C:11]1(CCCC1)[CH3:10].C[CH+]C1(CCCC1)C

OrbPairId : 565, Prediction : -73.880827

Neg data

[H:10][CH2:11][CH+:20]C1(CCCC1)C.C[CH+]C1(CCCC1)C

OrbPairId : 9183965, Prediction : -72.884675

OPReactantPairId: 2412, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

C[C:20](=[O:21])Cc1ccncc1.CC(=O)Cc1ccncc1.[CH2-:10]c1ccncc1.[CH2-]c1ccncc1

OrbPairId : 1634, Prediction : -45.338147

Neg data

CC(=O)Cc1ccncc1.CC(=O)Cc1ccncc1.[CH2-:10][c:20]1[cH:21][cH:22][n:23]cc1.[CH2-]c1ccncc1

OrbPairId : 11374986, Prediction : -43.180349

OPReactantPairId: 2622, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

[H:20][CH:21](C)[CH2:22][Br:23].CCCBr.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 1870, Prediction : -51.024645

Neg data

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

OrbPairId : 11859154, Prediction : -49.277871

OPReactantPairId: 1577, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 724, Prediction : -72.647877

Neg data

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

OrbPairId : 9277784, Prediction : -72.442655

OPReactantPairId: 2797, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

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

OrbPairId : 2062, Prediction : -43.464608

Neg data

[H:20][C:21](CC)([N+:22](=[O:23])[O-])Br.CCC([N+](=O)[O-])Br.[OH-:10].[OH-]

OrbPairId : 12280568, Prediction : -31.521926

CC[CH:20]([N+](=O)[O-])[Br:21].CCC([N+](=O)[O-])Br.[OH-:10].[OH-]

OrbPairId : 12280392, Prediction : -34.164637

OPReactantPairId: 1797, ReactionConditionsId: 1

NumPos: 1, numNeg: 2

Pos data

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

OrbPairId : 958, Prediction : -67.445308

Neg data

C[CH+:20]C[OH:10].C[CH+]CO

OrbPairId : 9726032, Prediction : -55.699819

C[CH+:20][CH2:11][OH:10].C[CH+]CO

OrbPairId : 9722911, Prediction : -57.215351

OPReactantPairId: 3392, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

[H:20][NH:21]C(=O)CCNC(=O)C=C.CC[O-:10].CC[O-].C=CC(=O)NCCC(=O)N

OrbPairId : 3149, Prediction : -60.960471

Neg data

CC[O-:10].CC[O-].C=CC(=O)NCC[C:20](=[O:21])N.C=CC(=O)NCCC(=O)N

OrbPairId : 14294734, Prediction : -57.592537