Misranked Orb Pair Display

OPReactantPairId: 2784, ReactionConditionsId: 7

NumPos: 1, numNeg: 4

Pos data

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

OrbPairId : 2049, Prediction : 57.894215

Neg data

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

OrbPairId : 12256265, Prediction : 68.208706

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

OrbPairId : 12238845, Prediction : 65.705540

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

OrbPairId : 12238794, Prediction : 75.802574

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

OrbPairId : 12238773, Prediction : 73.239337

OPReactantPairId: 2448, ReactionConditionsId: 6

NumPos: 1, numNeg: 1

Pos data

[H:20][CH:21](CC#[C-])[CH2:22][Br:23].[C-]#CCCCBr.[NH2-:10].[NH2-]

OrbPairId : 1677, Prediction : 75.306374

Neg data

[C-]#CCC[CH2:20][Br:21].[C-]#CCCCBr.[NH2-:10].[NH2-]

OrbPairId : 11334567, Prediction : 76.538680

OPReactantPairId: 1834, ReactionConditionsId: 1

NumPos: 1, numNeg: 4

Pos data

[H:20][OH2+:21].C[C:10](=[CH:11]c1ccccc1)C.CC(=Cc1ccccc1)C.[OH3+]

OrbPairId : 997, Prediction : 61.201811

Neg data

[H:20][OH2+:21].CC(=Cc1c[cH:11][cH:10]cc1)C.CC(=Cc1ccccc1)C.[OH3+]

OrbPairId : 9945655, Prediction : 61.310027

[H:20][OH2+:21].C[C:10](=[CH:11][c:12]1[cH:13]cccc1)C.CC(=Cc1ccccc1)C.[OH3+]

OrbPairId : 9894316, Prediction : 63.115074

[H:20][OH2+:21].CC(=C[c:13]1[cH:12][cH:11][cH:10]cc1)C.CC(=Cc1ccccc1)C.[OH3+]

OrbPairId : 9903875, Prediction : 61.454425

[H:20][OH2+:21].C[C:11](=[CH:10]c1ccccc1)C.CC(=Cc1ccccc1)C.[OH3+]

OrbPairId : 9820155, Prediction : 64.281876

OPReactantPairId: 2464, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 1697, Prediction : 74.046735

Neg data

CC[CH:20](C)[Br:21].CCC(C)Br.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 11384751, Prediction : 75.294315

OPReactantPairId: 2739, ReactionConditionsId: 7

NumPos: 1, numNeg: 1

Pos data

[H:20][CH:21](C)[C:22](C)(Br)[Br:23].CCC(C)(Br)Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 1999, Prediction : 66.557467

Neg data

CC[C:20](C)([Br:21])Br.CCC(C)(Br)Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 12230560, Prediction : 66.769742

OPReactantPairId: 1947, ReactionConditionsId: 2

NumPos: 1, numNeg: 4

Pos data

C[CH+:20]CC[c:11]1[cH:10]cccc1.C[CH+]CCc1ccccc1

OrbPairId : 3068, Prediction : 55.052366

Neg data

C[CH+:20]CCc1ccc[cH:11][cH:10]1.C[CH+]CCc1ccccc1

OrbPairId : 10203080, Prediction : 58.968901

C[CH+:20]CCc1c[cH:13][cH:12][cH:11][cH:10]1.C[CH+]CCc1ccccc1

OrbPairId : 10169598, Prediction : 58.173943

C[CH+:20]CCc1c[cH:11][cH:10]cc1.C[CH+]CCc1ccccc1

OrbPairId : 10165855, Prediction : 63.937065

C[CH+:20]CC[c:13]1[cH:12][cH:11][cH:10]cc1.C[CH+]CCc1ccccc1

OrbPairId : 10130814, Prediction : 63.175321

OPReactantPairId: 1493, ReactionConditionsId: 1

NumPos: 2, numNeg: 1

Pos data

c1[cH:10][cH:11][c:12]([c:13](c1)O)Br.c1ccc(c(c1)O)Br.[Br:20][Br:21].BrBr

OrbPairId : 629, Prediction : 55.229029

[cH:11]1[cH:10]cc([c:13]([cH:12]1)O)Br.c1ccc(c(c1)O)Br.[Br:20][Br:21].BrBr

OrbPairId : 632, Prediction : 60.281235

Neg data

[cH:11]1ccc(c([cH:10]1)O)Br.c1ccc(c(c1)O)Br.[Br:20][Br:21].BrBr

OrbPairId : 9214709, Prediction : 56.542176

OPReactantPairId: 1389, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

C[C:10](=[CH:11]CCC[C+:20](C)C)C.CC(=CCCC[C+](C)C)C

OrbPairId : 518, Prediction : 56.869228

Neg data

C[C:11](=[CH:10]CCC[C+:20](C)C)C.CC(=CCCC[C+](C)C)C

OrbPairId : 9196942, Prediction : 58.155254

OPReactantPairId: 1570, ReactionConditionsId: 1

NumPos: 1, numNeg: 4

Pos data

[H:20][Br:21].C[C:10](=[CH:11]c1ccccc1)C.CC(=Cc1ccccc1)C.Br

OrbPairId : 719, Prediction : 59.622721

Neg data

[H:20][Br:21].CC(=Cc1c[cH:11][cH:10]cc1)C.CC(=Cc1ccccc1)C.Br

OrbPairId : 9766635, Prediction : 59.853696

[H:20][Br:21].C[C:10](=[CH:11][c:12]1[cH:13]cccc1)C.CC(=Cc1ccccc1)C.Br

OrbPairId : 9602885, Prediction : 61.650595

[H:20][Br:21].CC(=C[c:13]1[cH:12][cH:11][cH:10]cc1)C.CC(=Cc1ccccc1)C.Br

OrbPairId : 9635841, Prediction : 59.955360

[H:20][Br:21].C[C:11](=[CH:10]c1ccccc1)C.CC(=Cc1ccccc1)C.Br

OrbPairId : 9371923, Prediction : 62.715639

OPReactantPairId: 2108, ReactionConditionsId: 6

NumPos: 1, numNeg: 1

Pos data

[H:20][CH:21](C)[C:22](C)(Br)[Br:23].CCC(C)(Br)Br.[NH2-:10].[NH2-]

OrbPairId : 1297, Prediction : 74.938435

Neg data

CC[C:20](C)([Br:21])Br.CCC(C)(Br)Br.[NH2-:10].[NH2-]

OrbPairId : 10404222, Prediction : 75.155079

OPReactantPairId: 3063, ReactionConditionsId: 6

NumPos: 1, numNeg: 1

Pos data

[H-].[H-:10].[H:20][O:21]CC(=O)OC(=O)C.CC(=O)OC(=O)CO

OrbPairId : 2579, Prediction : 83.914540

Neg data

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

OrbPairId : 12891286, Prediction : 85.370710

OPReactantPairId: 1454, ReactionConditionsId: 1

NumPos: 2, numNeg: 1

Pos data

C[CH+:20]c1ccccc1.C[CH+]c1ccccc1.C=C[c:13]1[cH:12][cH:11][cH:10]cc1.C=Cc1ccccc1

OrbPairId : 585, Prediction : 63.967579

C[CH+:20]c1ccccc1.C[CH+]c1ccccc1.C=C[c:11]1[cH:10]cccc1.C=Cc1ccccc1

OrbPairId : 587, Prediction : 63.870044

Neg data

C[CH+:20]c1ccccc1.C[CH+]c1ccccc1.[CH2:10]=[CH:11][c:12]1[cH:13]cccc1.C=Cc1ccccc1

OrbPairId : 10491706, Prediction : 66.330044

OPReactantPairId: 2661, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

[Li:11][c:10]1ccccc1.[Li]c1ccccc1.c1ccc(cc1)C(=O)CC[CH:20]=[O:21].c1ccc(cc1)C(=O)CCC=O

OrbPairId : 1912, Prediction : 81.122627

Neg data

[Li:11][c:10]1ccccc1.[Li]c1ccccc1.c1ccc(cc1)[C:20](=[O:21])CCC=O.c1ccc(cc1)C(=O)CCC=O

OrbPairId : 11955199, Prediction : 81.796343

OPReactantPairId: 2841, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 2112, Prediction : 78.922135

Neg data

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

OrbPairId : 12364266, Prediction : 80.060566

OPReactantPairId: 1425, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

CC[NH2:10].CCN.CC(=O)CC[CH:20]=[O:21].CC(=O)CCC=O

OrbPairId : 554, Prediction : 49.022916

Neg data

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

OrbPairId : 9148392, Prediction : 49.483386

OPReactantPairId: 2121, ReactionConditionsId: 6

NumPos: 1, numNeg: 3

Pos data

[H:20][CH:21](C[O-])[CH2:22][Br:23].C(C[O-])CBr.[NH2-:10].[NH2-]

OrbPairId : 1312, Prediction : 67.425610

Neg data

C(C[O-:10])CBr.C(C[O-])[CH2:20][Br:21].[NH2-].[NH2-]

OrbPairId : 10410333, Prediction : 75.384438

C(C[O-:10])[CH2:20][Br:21].C(C[O-])CBr.[NH2-].[NH2-]

OrbPairId : 10410287, Prediction : 72.832317

C(C[O-])[CH2:20][Br:21].C(C[O-])CBr.[NH2-:10].[NH2-]

OrbPairId : 10397243, Prediction : 76.539832

OPReactantPairId: 1947, ReactionConditionsId: 1

NumPos: 1, numNeg: 4

Pos data

C[CH+:20]CC[c:11]1[cH:10]cccc1.C[CH+]CCc1ccccc1

OrbPairId : 1117, Prediction : 55.231299

Neg data

C[CH+:20]CCc1c[cH:11][cH:10]cc1.C[CH+]CCc1ccccc1

OrbPairId : 10166307, Prediction : 64.128717

C[CH+:20]CCc1ccc[cH:11][cH:10]1.C[CH+]CCc1ccccc1

OrbPairId : 10204165, Prediction : 59.152006

C[CH+:20]CCc1c[cH:13][cH:12][cH:11][cH:10]1.C[CH+]CCc1ccccc1

OrbPairId : 10170242, Prediction : 58.354311

C[CH+:20]CC[c:13]1[cH:12][cH:11][cH:10]cc1.C[CH+]CCc1ccccc1

OrbPairId : 10130216, Prediction : 63.364283

OPReactantPairId: 1493, ReactionConditionsId: 2

NumPos: 2, numNeg: 3

Pos data

c1[cH:10][cH:11][c:12]([c:13](c1)O)Br.c1ccc(c(c1)O)Br.[Br:20][Br:21].BrBr

OrbPairId : 2694, Prediction : 55.120808

[cH:11]1[cH:10]cc([c:13]([cH:12]1)O)Br.c1ccc(c(c1)O)Br.[Br:20][Br:21].BrBr

OrbPairId : 2696, Prediction : 60.161600

Neg data

[cH:11]1ccc(c([cH:10]1)O)Br.c1ccc(c(c1)O)Br.[Br:20][Br:21].BrBr

OrbPairId : 9214498, Prediction : 56.429761

[cH:12]1[cH:11][cH:10]c(c([cH:13]1)O)Br.c1ccc(c(c1)O)Br.[Br:20][Br:21].BrBr

OrbPairId : 9182952, Prediction : 55.652028

[cH:10]1ccc(c([cH:11]1)O)Br.c1ccc(c(c1)O)Br.[Br:20][Br:21].BrBr

OrbPairId : 9175033, Prediction : 57.814341

OPReactantPairId: 2158, ReactionConditionsId: 3

NumPos: 1, numNeg: 1

Pos data

[Li:11][c:10]1ccccc1.[Li]c1ccccc1.CC(=O)CC[CH:20]=[O:21].CC(=O)CCC=O

OrbPairId : 1354, Prediction : 81.133951

Neg data

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

OrbPairId : 10683628, Prediction : 81.502961

OPReactantPairId: 3009, ReactionConditionsId: 6

NumPos: 1, numNeg: 1

Pos data

[H-].[H-:10].[H:20][N:21](C)C(=O)C=C(Cc1ccccc1)O.CNC(=O)C=C(Cc1ccccc1)O

OrbPairId : 2500, Prediction : 79.279057

Neg data

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

OrbPairId : 12730497, Prediction : 83.627565

OPReactantPairId: 2931, ReactionConditionsId: 3

NumPos: 1, numNeg: 4

Pos data

C1CCC(CC1)NC(=NC2CCCCC2)O[C:20](=[O:21])CCC[NH2:10].C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCN

OrbPairId : 2208, Prediction : 48.243603

Neg data

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:10].C1CCC(CC1)N[C:20](=[N:21]C2CCCCC2)OC(=O)CCCN

OrbPairId : 13196707, Prediction : 51.359654

C1CCC(CC1)N[C:20](=[N:21]C2CCCCC2)OC(=O)CCC[NH2:10].C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCN

OrbPairId : 13196653, Prediction : 48.589530

C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:10].C1CCC(CC1)NC(=NC2CCCCC2)O[C:20](=[O:21])CCCN

OrbPairId : 13196517, Prediction : 49.502822

C1CCC(CC1)[NH:12][C:11](=[N:10]C2CCCCC2)OC(=O)CCCN.C1CCC(CC1)N[C:20](=[N:21]C2CCCCC2)OC(=O)CCCN

OrbPairId : 12693458, Prediction : 48.927526

OPReactantPairId: 2757, ReactionConditionsId: 7

NumPos: 1, numNeg: 2

Pos data

[H:20][CH:21](CC#[C-])[CH2:22][Br:23].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.[C-]#CCCCBr

OrbPairId : 2021, Prediction : 66.916040

Neg data

CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.[C-]#CCC[CH2:20][Br:21].[C-]#CCCCBr

OrbPairId : 12274451, Prediction : 68.228176

CC(C)[N-]C(C)C.CC(C)[N-]C(C)C.[C-:10]#[C:11]CCCBr.[C-]#CCC[CH2:20][Br:21]

OrbPairId : 12183757, Prediction : 67.990216

OPReactantPairId: 2714, ReactionConditionsId: 1

NumPos: 1, numNeg: 9

Pos data

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

OrbPairId : 1970, Prediction : 68.102630

Neg data

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

OrbPairId : 12154564, Prediction : 71.782509

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

OrbPairId : 12154477, Prediction : 71.782509

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

OrbPairId : 12154256, Prediction : 72.010615

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

OrbPairId : 12154107, Prediction : 71.742099

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

OrbPairId : 12154041, Prediction : 73.257341

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

OrbPairId : 12152986, Prediction : 71.233779

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

OrbPairId : 12086591, Prediction : 78.644250

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

OrbPairId : 12086476, Prediction : 78.763873

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

OrbPairId : 12086422, Prediction : 78.563862

OPReactantPairId: 1454, ReactionConditionsId: 2

NumPos: 2, numNeg: 1

Pos data

C[CH+:20]c1ccccc1.C[CH+]c1ccccc1.C=C[c:13]1[cH:12][cH:11][cH:10]cc1.C=Cc1ccccc1

OrbPairId : 3055, Prediction : 63.775340

C[CH+:20]c1ccccc1.C[CH+]c1ccccc1.C=C[c:11]1[cH:10]cccc1.C=Cc1ccccc1

OrbPairId : 3059, Prediction : 63.675971

Neg data

C[CH+:20]c1ccccc1.C[CH+]c1ccccc1.[CH2:10]=[CH:11][c:12]1[cH:13]cccc1.C=Cc1ccccc1

OrbPairId : 10561989, Prediction : 66.129848

OPReactantPairId: 3014, ReactionConditionsId: 1

NumPos: 1, numNeg: 1

Pos data

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

OrbPairId : 2511, Prediction : 66.918022

Neg data

CC[CH+:20]OC.CC[CH+]OC.CC(C[O:10]C)Br.CC(COC)Br

OrbPairId : 12760810, Prediction : 68.089511