LiteFold/CycPepMPDB · Datasets at Hugging Face

240c3257b0abef68ff55c51236072934640d76c2a85305bc66d6ed67e36b9702

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,250

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Mono6', 'meL', 'Tyr(CHF2)', 'meL', 'meF', 'Ser(tBu)', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide']

99

2251

-5.89

Circle

8

-2.94e-16

-2.758194528

-2.12e-16

-2.891240229

-6.52e-18

-1.135231401

1.02e-15

-0.249287763

3.67407111

8698.620522

244.0

null

-5.89

185.40593

172.7462164

50.74621645

97.77827994

86.20059514

25.50349247

17.36015676

10.12596561

5.921002239

null

545.0363011

68.7022619

66.3152763

0

14.5825341

98.75505715

1492.912068

0.58490566

1.103773585

1.650943396

0.688311688

241.0

PEPTIDE2251{[Mono6].[meL].[Tyr(CHF2)].[meL].[meF].[Ser(tBu)].[meL].T.[meA].[meL].[Asp_piperidide]}$PEPTIDE2251,PEPTIDE2251,1:R1-11:R2$$$

PEPTIDE2251{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Tyr(CHF2)/">[Tyr(CHF2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href=...

-8.34

106

1370.912

2251

null

4.36e+89

18.40457919

41.68952363

27.15714188

797.4921486

null

18.40194982

0.434844397

18.40194982

0.387031973

2.417156278

0.387031973

-8.390705381

-0.434844397

5.0294

396.7936

1493.888

Circle

11

null

5

27

null

0

2

0

2

15

5

29

0

36

0

2

594

pd478

null

-9.895191727

1.930586634

75.02106536

65.92843652

7.018126869

72.31735641

0.0

6.587556726

57.53444621

0.0

8.780830095

0.0

97.11206789

132.0304309

216.2914463

54.76966722

null

-5.89

null

4

CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(OC(F)F)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CCCC(=O)N1C

246.9239298

70.88615675

1.431199657

60.43853126

23.57583074

243.9972466

74.8803526

65.50867135

0

5.749511833

null

['Mono6', 'meL', 'Tyr(CHF2)', 'meL', 'meF', 'Ser(tBu)', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide']

[0.5270999999999999, 1.1616, 1.6173999999999995, 1.1616, 1.3581999999999996, 0.5883999999999996, 1.1616, -0.1918000000000002, 0.1353999999999999, 1.1616, 0.1758999999999995]

[20.31, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 49.41]

25.97611637

8.780830095

5.749511833

0.0

269.9533453

75.01715897

23.57583074

324.3095006

54.38176837

5.647368313

0.0

0

2018_CHUGAI

2251

null

317.57

null

1150.826952

0.0

184.8588481

-10.36418778

-14.07748314

-96.0873215

-107.8608434

-91.50480756

-165.0411564

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

6

1

0

2

0

12

0

2

0

2

0

2

0

1

0

0.130735911

null

03bd0a4fafeb97380d4c9982024bb6d3ef215b2abe020ef33ca5133d4deaf12f

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,251

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Tyr(CHF2)', 'meL', 'meF', 'L', 'meL', 'meI', 'T', 'Bu_Gly', 'meA', 'Asp_piperidide']

93

2252

-6.0

-6

Circle

8

-2.99e-16

-2.757007294

-1.9e-16

-2.889289697

4.41e-18

-1.135838069

1.18e-15

-0.249291276

3.677071838

8363.537499

215.0

null

-6.0

177.1988233

164.8379682

48.83796816

93.57117316

82.29234685

24.59524418

16.5866498

10.0440828

5.866856833

null

525.5454057

67.33150334

66.3152763

0

9.845671145

91.90126436

1434.870203

0.62745098

1.196078431

1.754901961

0.675675676

218.0

PEPTIDE2252{[meA].[Tyr(CHF2)].[meL].[meF].L.[meL].[meI].T.[Bu_Gly].[meA].[Asp_piperidide]}$PEPTIDE2252,PEPTIDE2252,1:R1-11:R2$$$

PEPTIDE2252{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Tyr(CHF2)/">[Tyr(CHF2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">...

-8.3

102

1318.88

2252

null

8.55e+84

17.79770809

40.51963115

24.43657788

764.853954

null

18.29228219

0.434844397

18.29228219

0.387031973

2.390286691

0.387031973

-8.503400927

-0.434844397

4.6243

381.3796

1435.808

Circle

11

null

5

26

null

0

2

0

2

14

5

28

0

38

0

2

570

pd479

null

-8.898736994

1.790519157

70.2842024

65.92843652

7.018126869

72.31735641

0.0

6.587556726

57.53444621

0.0

8.780830095

0.0

116.7098098

111.9537218

194.7181432

49.10649085

null

-6.0

null

4

CCCCN1CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(OC(F)F)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C1=O

233.9625155

70.88615675

1.431199657

60.43853126

23.57583074

231.5443037

67.84240014

65.50867135

0

5.749511833

null

['meA', 'Tyr(CHF2)', 'meL', 'meF', 'L', 'meL', 'meI', 'T', 'Bu_Gly', 'meA', 'Asp_piperidide']

[0.1353999999999999, 1.6173999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.1616, 1.1616, -0.1918000000000002, 0.9172, 0.1353999999999999, 0.1758999999999995]

[20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41]

25.97611637

8.780830095

5.749511833

0.0

257.314342

70.28029601

23.57583074

309.2330571

54.38176837

5.647368313

0.0

0

2018_CHUGAI

2252

null

308.34

null

1092.158262

0.0

184.4617027

-10.07733461

-7.206546625

-96.91485755

-106.8121702

-89.26079235

-152.8482633

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

6

1

0

2

0

12

0

2

0

1

0

2

0

1

0

0.128243768

null

435ccf4b83522df9b101db37703152d9e173d121440aa3467b9633a9cc7cb10a

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,252

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'L', 'meL', 'meL', 'Tyr(CHF2)', 'meA', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide']

90

2253

-5.3

Circle

1

-3.3e-16

-2.757970069

-1.92e-16

-2.884931485

-4.84e-17

-1.136228996

8.24e-16

-0.249287769

4.403713974

7685.225902

220.0

null

-5.3

169.7347216

157.8379682

45.83796816

88.89574668

78.54234685

22.84524418

15.5998464

9.313877698

5.391780811

null

490.2488279

55.55095509

57.53444621

0

9.845671145

106.9796085

1358.838903

0.625

1.197916667

1.75

0.735294118

217.0

PEPTIDE2253{[meA].L.[meL].[meL].[Tyr(CHF2)].[meA].[meI].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2253,PEPTIDE2253,1:R1-11:R2$$$

PEPTIDE2253{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Tyr(CHF2)/">[Tyr(CHF2)]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sa...

-7.52

96

1246.814

2253

null

6.47e+79

16.51575373

37.84606626

23.35707812

724.1769778

null

18.01641992

0.434844397

18.01641992

0.387031973

2.628223297

0.387031973

-8.366667846

-0.434844397

3.2574

356.8376

1359.71

Circle

11

null

5

26

null

0

2

1

0

1

14

5

28

0

37

0

2

542

pd480

null

-8.691664252

0.082423365

70.2842024

65.92843652

7.018126869

72.31735641

0.0

6.587556726

57.53444621

0.0

8.780830095

0.0

86.97668349

112.284228

190.1949441

42.25269807

null

-5.3

null

3

CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC(F)F)cc2)C(=O)N(C)[C@@H](C)C(=O)N1C

228.4794813

70.88615675

1.431199657

60.43853126

29.46978843

225.650346

68.32136735

29.73312632

0

5.749511833

null

['meA', 'L', 'meL', 'meL', 'Tyr(CHF2)', 'meA', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide']

[0.1353999999999999, 0.8193999999999995, 1.1616, 1.1616, 1.6173999999999995, 0.1353999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995]

[20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41]

25.97611637

8.780830095

5.749511833

0.0

257.7933092

63.90737111

29.46978843

298.6655386

24.16967483

5.647368313

0.0

0

2018_CHUGAI

2253

null

308.34

null

1043.084195

0.0

181.6312333

-10.04893763

-3.644262873

-102.397688

-91.98084

-75.92828733

-157.2154128

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

2

0

12

0

1

0

1

0

2

0

1

0

0.15882322

null

9bfc33294fe919d54aa02398459fc9b2e08b25373e287bb951c68df7b69157e5

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,253

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'meL', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Tyr(CHF2)', 'meV', 'Asp_piperidide']

90

2254

-5.42

Circle

9

-2.8e-16

-2.757731779

-1.84e-16

-2.88762822

5.16e-17

-1.135258476

1.74e-15

-0.249287763

3.597207166

8100.988965

214.0

null

-5.42

172.1988233

159.8379682

47.83796816

91.07117316

79.79234685

24.09524418

16.363043

9.831944962

5.788391774

null

512.7995559

52.25315922

66.3152763

0

9.845671145

101.4965743

1406.838903

0.6

1.15

1.68

0.666666667

215.0

PEPTIDE2254{[Sar].[meL].I.[meL].T.[Sar].[meF].[meL].[Tyr(CHF2)].[meV].[Asp_piperidide]}$PEPTIDE2254,PEPTIDE2254,1:R1-11:R2$$$

PEPTIDE2254{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Tyr(CHF2)/">[Tyr(CHF2...

-8.3

100

1294.858

2254

null

2.03e+81

17.65643242

39.05306678

23.93861898

746.5041878

null

17.96676508

0.434844397

17.96676508

0.387031973

2.283082707

0.387031973

-8.123066815

-0.434844397

3.7016

372.0976

1407.754

Circle

11

null

5

26

null

0

2

0

2

14

5

28

0

36

0

2

558

pd481

null

-8.368514036

1.748861279

70.2842024

59.91054405

7.018126869

72.31735641

0.0

6.587556726

57.53444621

0.0

8.780830095

0.0

117.188777

97.77097035

188.3433176

56.97410909

null

-5.42

null

4

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccc(OC(F)F)cc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O

228.4794813

70.88615675

1.431199657

60.43853126

29.46978843

205.9286693

74.81822704

65.50867135

0

5.749511833

null

['Sar', 'meL', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Tyr(CHF2)', 'meV', 'Asp_piperidide']

[-0.2531000000000001, 1.1616, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 1.6173999999999995, 0.7715000000000001, 0.1758999999999995]

[20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41]

25.97611637

8.780830095

5.749511833

0.0

258.2722765

70.28029601

29.46978843

284.152281

54.38176837

5.647368313

0.0

0

2018_CHUGAI

2254

null

308.34

null

1051.299836

0.0

183.538178

-10.08695831

-7.065283042

-102.431761

-97.74784516

-75.26304242

-151.2431237

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

2

0

12

0

2

0

1

0

2

0

1

0

0.15096641

null

ee0487b0e2005094517c3bdb29e589caf61c4128d508ff7e11d6026f67e03e93

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,254

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Me_Abu', 'L', 'meL', 'meF', 'Mono62', 'Me_Abu', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide']

96

2255

-5.96

Circle

5

-3.59e-16

-2.758186381

-3.69e-16

-2.889025556

-1.4e-16

-1.13578264

3.09e-16

-0.249291368

3.741503177

8608.179549

246.0

null

-5.96

187.5191787

176.4375011

49.4375011

98.24153423

87.99345106

24.79634839

16.46292449

9.91094654

5.798986801

null

540.4745655

74.18529612

57.53444621

0

14.5825341

100.1258157

1449.95746

0.601941748

1.13592233

1.747572816

0.76

256.0

PEPTIDE2255{[Me_Abu].L.[meL].[meF].[Mono62].[Me_Abu].[meL].T.[Bu_Gly].[meL].[Asp_piperidide]}$PEPTIDE2255,PEPTIDE2255,1:R1-11:R2$$$

PEPTIDE2255{<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono62/">[Mono62]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_...

-7.3

103

1322.901

2255

null

6.02e+90

16.84801644

43.21915173

26.36124542

791.342607

null

18.37024751

0.390716754

18.37024751

0.247807006

2.129193648

0.247807006

-8.453670294

-0.390716754

2.9092

391.9136

1450.917

Circle

11

null

5

28

null

0

3

1

0

1

16

5

28

0

41

0

3

582

pd482

null

-8.616557267

2.184509938

75.02106536

60.17892468

5.647368313

72.31735641

0.0

62.43435594

0.0

111.9558317

99.72042336

218.8018658

80.82546604

null

-5.96

null

4

CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](CC)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCCN2CCOCC2)C(=O)N(C)[C@@H](CC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O

244.9968925

70.88615675

1.431199657

65.33844099

23.57583074

231.3296718

113.5689202

35.77554503

0

0.0

null

['Me_Abu', 'L', 'meL', 'meF', 'Mono62', 'Me_Abu', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide']

[0.5255000000000001, 0.8193999999999995, 1.1616, 1.3581999999999996, -0.877899999999999, 0.5255000000000001, 1.1616, -0.1918000000000002, 0.9172, 1.1616, 0.1758999999999995]

[20.31, 29.1, 20.31, 20.31, 50.8, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41]

21.23925341

0.0

301.3532151

73.38109702

23.57583074

331.4937996

30.21209354

5.647368313

0.0

0

2018_CHUGAI

2255

null

320.81

null

1168.646205

0.0

183.9045472

-10.74133843

-3.64583655

-95.41172763

-96.46998421

-98.87481054

-190.6570549

0.0

1.0

2018

null

0

1

0

12

0

9

4

0

6

1

0

12

0

1

0

2

0

1

0

1

0

0.10426443

null

b7d9f048e81895349994d98a861ef2196837c37209fd1d46cea30a3f42427b97

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,255

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Me_Abu', 'Mono62', 'meL', 'Me_Abu', 'V', 'meF', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide']

96

2256

-5.72

Circle

3

-3.44e-16

-2.758129081

-3.34e-16

-2.888778722

-1.18e-16

-1.13522446

5.91e-16

-0.249291273

3.708750456

8484.408439

234.0

null

-5.72

185.0191787

173.9375011

48.9375011

96.99153423

86.74345106

24.54634839

16.33792449

9.904348239

5.762002319

null

534.1016406

65.96074478

57.53444621

0

14.5825341

105.6088499

1435.94181

0.617647059

1.166666667

1.764705882

0.756756757

229.0

PEPTIDE2256{[Me_Abu].[Mono62].[meL].[Me_Abu].V.[meF].[meL].T.[Bu_Gly].[meL].[Asp_piperidide]}$PEPTIDE2256,PEPTIDE2256,1:R1-11:R2$$$

PEPTIDE2256{<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/Mono62/">[Mono62]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_...

-7.3

102

1310.89

2256

null

1.03e+89

16.76442749

42.46500491

25.25078491

782.1677239

null

18.20453009

0.390716754

18.20453009

0.247807006

2.120345974

0.247807006

-8.39850172

-0.390716754

2.5191

387.2966

1436.89

Circle

11

null

5

28

null

0

3

1

0

1

16

5

28

0

40

0

3

576

pd483

null

-8.273018526

2.087363282

75.02106536

60.17892468

5.647368313

72.31735641

0.0

62.43435594

0.0

111.9558317

93.34749846

216.0603487

80.82546604

null

-5.72

null

4

CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](CC)C(=O)N[C@@H](COCCN2CCOCC2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O

242.2553754

70.88615675

1.431199657

65.33844099

23.57583074

224.9567469

113.5689202

35.77554503

0

0.0

null

['Me_Abu', 'Mono62', 'meL', 'Me_Abu', 'V', 'meF', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide']

[0.5255000000000001, -0.877899999999999, 1.1616, 0.5255000000000001, 0.4292999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.9172, 1.1616, 0.1758999999999995]

[20.31, 50.8, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41]

21.23925341

0.0

301.3532151

73.38109702

23.57583074

322.3793576

30.21209354

5.647368313

0.0

0

2018_CHUGAI

2256

null

320.81

null

1148.711701

0.0

183.5252628

-10.61966689

-3.585808607

-95.33259827

-95.69511789

-90.92145636

-190.5823162

0.0

1.0

2018

null

0

1

0

12

0

9

4

0

6

1

0

12

0

1

0

2

0

1

0

1

0

0.110474574

null

56ac90a30360441037744387668c42c09242bcc2414575e79b9e181c858a878e

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,256

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'meL', 'Mono62', 'meL', 'T', 'Bu_Gly', 'meF', 'meL', 'V', 'meL', 'Asp_piperidide']

90

2257

-5.74

Circle

4

-4e-16

-2.758124482

-3.47e-16

-2.891927235

-1.34e-16

-1.135264591

6.88e-16

-0.24929137

3.689641308

8468.408439

241.0

null

-5.74

185.0191787

173.9375011

48.9375011

96.99153423

86.74345106

24.54634839

16.35112109

9.692210405

5.664361629

null

534.1016406

68.7022619

57.53444621

0

14.5825341

102.8673328

1435.94181

0.617647059

1.156862745

1.705882353

0.756756757

246.0

PEPTIDE2257{[Sar].[meL].[Mono62].[meL].T.[Bu_Gly].[meF].[meL].V.[meL].[Asp_piperidide]}$PEPTIDE2257,PEPTIDE2257,1:R1-11:R2$$$

PEPTIDE2257{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono62/">[Mono62]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/"...

-7.3

102

1310.89

2257

null

7.63e+88

16.76442749

42.46500491

26.44099629

782.1677239

null

18.1674501

0.390716754

18.1674501

0.247807006

2.12031227

0.247807006

-8.324231458

-0.390716754

2.3766

387.2486

1436.89

Circle

11

null

5

28

null

0

3

1

0

1

16

5

28

0

40

0

3

576

pd484

null

-8.370673616

2.095308854

75.02106536

54.16103222

5.647368313

72.31735641

0.0

62.43435594

0.0

111.9558317

92.86853125

214.6895901

88.69308429

null

-5.74

null

4

CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCN2CCOCC2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O

242.2553754

70.88615675

1.431199657

65.33844099

29.46978843

212.5659296

120.0657798

35.77554503

0

0.0

null

['Sar', 'meL', 'Mono62', 'meL', 'T', 'Bu_Gly', 'meF', 'meL', 'V', 'meL', 'Asp_piperidide']

[-0.2531000000000001, 1.1616, -0.877899999999999, 1.1616, -0.1918000000000002, 0.9172, 1.3581999999999996, 1.1616, 0.4292999999999995, 1.1616, 0.1758999999999995]

[20.31, 20.31, 50.8, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41]

21.23925341

0.0

301.8321823

73.38109702

29.46978843

316.0064327

30.21209354

5.647368313

0.0

0

2018_CHUGAI

2257

null

320.81

null

1147.330913

0.0

183.0065864

-10.70754132

-3.569634781

-101.9197341

-87.68610829

-83.66768826

-197.2867925

0.0

1.0

2018

null

0

1

0

12

0

9

4

0

6

1

0

12

0

1

0

2

0

1

0

1

0

0.11038352

null

5b5941ec478b5dac9b004fb800524196fc0fe62f19aa3d155a8e15e92eb57ace

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,258

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'Me_Abu', 'V', 'meL', 'Mono62', 'Bu_Gly', 'meF', 'meL', 'L', 'meL', 'Asp_piperidide']

93

2259

-5.96

Circle

3

-4.04e-16

-2.758128138

-4.05e-16

-2.886829239

-1.19e-16

-1.135990596

6.11e-16

-0.249291371

3.694431277

8439.724127

186.0

null

-5.96

184.3120719

173.5292528

48.52925281

96.43087406

86.63107863

24.34222424

16.14699694

9.595535822

5.597884749

null

534.3945475

68.7022619

57.53444621

0

9.473725908

102.8068917

1419.946896

0.594059406

1.148514851

1.722772277

0.756756757

178.0

PEPTIDE2259{[Sar].[Me_Abu].V.[meL].[Mono62].[Bu_Gly].[meF].[meL].L.[meL].[Asp_piperidide]}$PEPTIDE2259,PEPTIDE2259,1:R1-11:R2$$$

PEPTIDE2259{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono62/">[Mono62]</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monome...

-7.26

101

1294.891

2259

null

8.61e+88

16.39725105

42.3612604

26.50307379

777.2868199

null

18.32003405

0.378792712

18.32003405

0.247524947

2.138432221

0.247524947

-8.393175864

-0.378792712

3.4058

385.8588

1420.891

Circle

11

null

4

27

null

0

3

1

0

1

15

4

27

0

39

0

3

570

pd486

null

-7.685297162

1.513372903

69.91225717

54.16103222

5.647368313

70.88615675

0.0

62.43435594

0.0

118.8077238

92.38956403

217.4311072

81.2423077

null

-5.96

null

4

CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](CC)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCN2CCOCC2)C1=O

238.5173257

70.88615675

0.0

65.33844099

29.46978843

212.8588364

120.0657798

35.77554503

0

0.0

null

['Sar', 'Me_Abu', 'V', 'meL', 'Mono62', 'Bu_Gly', 'meF', 'meL', 'L', 'meL', 'Asp_piperidide']

[-0.2531000000000001, 0.5255000000000001, 0.4292999999999995, 1.1616, -0.877899999999999, 0.9172, 1.3581999999999996, 1.1616, 0.8193999999999995, 1.1616, 0.1758999999999995]

[20.31, 20.31, 29.1, 20.31, 50.8, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41]

21.23925341

0.0

289.2121564

73.38109702

29.46978843

323.7501161

30.21209354

5.647368313

0.0

0

2018_CHUGAI

2259

null

300.58

null

1147.759822

0.0

182.6437515

-14.3333365

-3.633765708

-101.7598067

-87.79922612

-83.70624265

-197.1711962

0.0

1.0

2018

null

0

12

0

9

4

0

6

1

0

12

0

1

0

2

0

1

0

1

0

0.128319147

null

a8c87c72e4d234aac9a23f3c82d4af7b781079de323fa4b38238e3a94d52f6bd

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,259

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Me_Abu', 'L', 'meL', 'meF', 'Mono63', 'meL', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide']

93

2260

-5.66

Circle

9

-2.71e-16

-2.758189292

-2.91e-16

-2.885422876

-6.72e-17

-1.136012177

7.37e-16

-0.24929143

3.76996148

8668.152355

270.0

null

-5.66

183.1738792

171.3847147

49.38471469

96.38783419

85.46499055

24.82067429

16.68862356

9.962905417

5.919160881

null

531.897306

81.72135042

57.53444621

0

14.78856639

90.57158933

1446.921409

0.611650485

1.126213592

1.669902913

0.72972973

270.0

PEPTIDE2260{[Me_Abu].L.[meL].[meF].[Mono63].[meL].[meL].T.[Bu_Gly].[meL].[Asp_piperidide]}$PEPTIDE2260,PEPTIDE2260,1:R1-11:R2$$$

PEPTIDE2260{<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono63/">[Mono63]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">...

-8.24

103

1324.897

2260

null

1.7e+88

17.24896165

41.30221039

25.55549636

780.7034897

null

18.32734669

0.438415616

18.32734669

0.438415616

1.714856547

0.390716754

-8.470682813

-0.390716754

3.5056

388.4443

1447.873

Circle

11

null

6

29

null

0

2

1

2

16

6

29

0

41

0

2

578

pd487

null

-8.803597941

2.476166277

65.54733945

60.17892468

12.88361489

72.31735641

0.0

5.756062822

67.03454442

4.794537184

0.0

123.9643871

111.987306

208.4257288

43.62345662

null

-5.66

null

4

CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](CC)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2noc(=O)[nH]2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O

233.2335522

70.88615675

1.431199657

70.57219779

29.46978843

250.9274138

67.84240014

52.15054953

0

0.0

null

['Me_Abu', 'L', 'meL', 'meF', 'Mono63', 'meL', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide']

[0.5255000000000001, 0.8193999999999995, 1.1616, 1.3581999999999996, -0.9175999999999996, 1.1616, 1.1616, -0.1918000000000002, 0.9172, 1.1616, 0.1758999999999995]

[20.31, 29.1, 20.31, 20.31, 87.99000000000001, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41]

26.99531624

0.0

260.8604518

70.28029601

29.46978843

342.3184697

39.52972566

7.059210392

0.0

0

2018_CHUGAI

2260

null

358.0

null

1123.751249

0.0

198.2530508

-8.24948062

-3.594882498

-108.7717009

-96.27464769

-113.1115101

-154.1687443

0.0

1.0

2018

null

0

1

0

2

1

0

12

0

9

5

0

6

1

0

12

0

1

0

1

0

1

0

0.104143002

null

182c172814ce97e22cbe1b02df6c47cf748e8d71b1bed018fc31ff58c6998d96

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,260

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'meL', 'V', 'meL', 'Mono63', 'Bu_Gly', 'meF', 'meL', 'L', 'meL', 'Asp_piperidide']

90

2261

-5.8

Circle

6

-3.21e-16

-2.758163195

-2.87e-16

-2.881152475

-4.89e-17

-1.136004554

4.42e-16

-0.249291432

3.711236192

8499.559172

274.0

null

-5.8

179.9667724

168.4764664

48.4764664

94.57717402

84.10261812

24.36655014

16.37269602

9.6474947

5.718058829

null

525.8172879

74.86755764

57.53444621

0

9.679758194

94.6234239

1416.910845

0.594059406

1.108910891

1.643564356

0.726027397

271.0

PEPTIDE2261{[Sar].[meL].V.[meL].[Mono63].[Bu_Gly].[meF].[meL].L.[meL].[Asp_piperidide]}$PEPTIDE2261,PEPTIDE2261,1:R1-11:R2$$$

PEPTIDE2261{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono63/">[Mono63]</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/"...

-8.2

101

1296.887

2261

null

3.8e+85

16.79308391

40.44289012

25.67556344

766.6477026

null

18.24315404

0.438415616

18.24315404

0.438415616

1.695316161

0.342496276

-8.340324184

-0.342496276

4.0022

382.3895

1417.847

Circle

11

null

5

28

null

0

2

1

2

15

5

28

0

39

0

2

566

pd488

null

-7.739236765

2.09751419

60.43853126

54.16103222

12.88361489

70.88615675

0.0

5.756062822

67.03454442

4.794537184

0.0

130.8162792

104.6564466

207.0549702

44.04029828

null

-5.8

null

4

CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCc2noc(=O)[nH]2)C1=O

226.7539855

70.88615675

0.0

70.57219779

35.36374611

232.4565784

74.33925982

52.15054953

0

0.0

null

['Sar', 'meL', 'V', 'meL', 'Mono63', 'Bu_Gly', 'meF', 'meL', 'L', 'meL', 'Asp_piperidide']

[-0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.9175999999999996, 0.9172, 1.3581999999999996, 1.1616, 0.8193999999999995, 1.1616, 0.1758999999999995]

[20.31, 20.31, 29.1, 20.31, 87.99000000000001, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41]

26.99531624

0.0

248.7193932

70.28029601

35.36374611

334.5747863

39.52972566

7.059210392

0.0

0

2018_CHUGAI

2261

null

337.77

null

1102.03776

0.0

197.0128597

-11.89750061

-3.578301402

-114.7939141

-87.56100329

-97.77017465

-160.3663918

0.0

1.0

2018

null

0

2

1

0

12

0

9

5

0

6

1

0

12

0

1

0

1

0

1

0

0.125102755

null

6d56b5e33f3347f3fcb6862f033f65fa065ac2285134554087f441bdc8252430

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,261

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Mono64', 'meL', 'Me_Phe(3-Cl)', 'L', 'meF', 'meI', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide']

99

2262

-5.96

Circle

6

-2.69e-16

-2.757977023

-2.26e-16

-2.890140976

-4.94e-17

-1.135213248

9.07e-16

-0.249291277

3.749065757

8638.783259

269.0

null

-5.96

182.90593

170.868252

50.62418092

96.6544887

85.21573705

25.48835056

16.87902426

17.25698873

10.14873245

10.33771469

5.973140815

6.114877492

null

537.428959

75.55605468

57.53444621

0

14.95447934

102.1918868

1476.876289

0.644230769

1.278846154

1.913461538

0.684210526

267.0

PEPTIDE2262{[meA].[Mono64].[meL].[Me_Phe(3-Cl)].L.[meF].[meI].T.[Bu_Gly].[meL].[Asp_piperidide]}$PEPTIDE2262,PEPTIDE2262,1:R1-11:R2$$$

PEPTIDE2262{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monome...

-7.75

104

1356.358

2262

null

3.66e+87

18.00109288

42.40829274

25.79407527

791.4617902

null

18.43026153

0.391019005

18.43026153

0.247807007

2.286774413

0.247807007

-8.355782087

-0.391019005

4.0538

396.5834

1478.326

Circle

11

null

6

27

null

0

2

0

2

15

6

28

0

41

0

2

582

pd489

null

-9.508993308

4.866316873

75.3930106

60.17892468

5.647368313

73.74855607

0.0

57.53444621

0.0

128.3107497

111.9537218

199.7407765

75.15827214

null

-5.96

null

4

CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COC[C@@H](C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C1=O

235.7735278

82.48709664

2.862399314

60.43853126

23.57583074

231.036765

80.96037062

70.53130467

0

0.0

null

['meA', 'Mono64', 'meL', 'Me_Phe(3-Cl)', 'L', 'meF', 'meI', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide']

[0.1353999999999999, -0.8292999999999999, 1.1616, 2.0116, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.9172, 1.1616, 0.1758999999999995]

[20.31, 58.56, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41]

21.23925341

0.0

11.60093989

276.4647817

75.01715897

23.57583074

314.7160914

54.38176837

10.67000163

0.0

0

2018_CHUGAI

2262

null

328.57

null

1113.615346

6.140382369

186.7260288

-9.315278002

-7.141529869

-94.81492022

-106.2698137

-95.91907725

-160.4100267

0.0

1.0

2018

null

0

2

0

12

0

8

4

0

6

1

0

12

0

2

0

1

0

1

0

1

0

0.10270098

null

8683c76e213aac76cdc0359782b6fd597c8a6aa383f82ce88c3cd353655420c2

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,262

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'Me_Phe(3-Cl)', 'Mono64', 'meL', 'T', 'Bu_Gly', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

106

2263

-6.0

-6

Circle

3

-2.74e-16

-2.757874225

-2.69e-16

-2.889902266

-5.37e-17

-1.135213158

1.04e-15

-0.249291275

3.715365518

8621.371743

245.0

null

-6.0

183.6130368

171.2765003

51.03242921

97.11159548

85.37398534

25.64659885

17.02753122

17.4054957

9.868991647

10.05797388

5.807841083

5.949577761

null

537.8010797

68.7022619

57.53444621

0

19.69134229

109.0456796

1492.871203

0.638095238

1.2

1.761904762

0.684210526

236.0

PEPTIDE2263{[Sar].[Me_Phe(3-Cl)].[Mono64].[meL].T.[Bu_Gly].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2263,PEPTIDE2263,1:R1-11:R2$$$

PEPTIDE2263{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a h...

-7.79

105

1372.357

2263

null

1.8299999999999998e+89

18.38831187

42.52444512

28.13636963

796.5753354

null

18.25493719

0.391019005

18.25493719

0.247807006

2.186454031

0.247807006

-8.362046178

-0.391019005

3.4343

398.2384

1494.325

Circle

11

null

6

28

null

0

2

0

2

16

6

29

0

38

0

2

588

pd490

null

-9.646396776

5.205093361

80.12987355

54.16103222

5.647368313

73.74855607

0.0

57.53444621

0.0

108.2340406

119.7635484

195.6285008

97.92744355

null

-6.0

null

4

CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](COC[C@@H](C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O

240.5103908

82.48709664

2.862399314

60.43853126

17.68187306

224.2469984

94.01621555

70.53130467

0

0.0

null

['Sar', 'Me_Phe(3-Cl)', 'Mono64', 'meL', 'T', 'Bu_Gly', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

[-0.2531000000000001, 2.0116, -0.8292999999999999, 1.1616, -0.1918000000000002, 0.9172, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995]

[20.31, 20.31, 58.56, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41]

21.23925341

0.0

11.60093989

289.1037849

79.75402192

17.68187306

308.3431665

54.38176837

10.67000163

0.0

0

2018_CHUGAI

2263

null

337.8

null

1112.821026

6.085373792

186.1068822

-9.218233693

-13.64814168

-86.59309008

-97.48694718

-88.5166392

-173.4391194

0.0

1.0

2018

null

0

2

0

12

0

8

4

0

6

1

0

12

0

2

0

2

0

1

0

1

0

0.104267207

null

d074a9bca0a70aa88ba501fc5ddb19ed93f8314b5cf9c1f9cd9176aed0358f5c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,263

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meV', 'Mono64', 'meL', 'Me_Phe(3-Cl)', 'L', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide']

96

2264

-5.96

Circle

6

-2.77e-16

-2.758402802

-2.64e-16

-2.889594977

-4.77e-17

-1.135210333

1.27e-15

-0.249287763

3.734715013

8497.449933

248.0

null

-5.96

180.40593

168.368252

50.12418092

95.4044887

83.96573705

25.23835056

16.89222086

17.27018533

10.15533075

10.34431299

6.029300927

6.171037605

null

531.0560341

71.44377901

57.53444621

0

14.95447934

103.5626454

1462.860639

0.611650485

1.223300971

1.844660194

0.68

241.0

PEPTIDE2264{[meV].[Mono64].[meL].[Me_Phe(3-Cl)].L.[meF].[meI].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2264,PEPTIDE2264,1:R1-11:R2$$$

PEPTIDE2264{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monome...

-7.75

103

1344.347

2264

null

8.29e+85

17.92702119

41.07732242

25.24381748

782.286907

null

18.38236758

0.391019005

18.38236758

0.247548565

2.291633746

0.247548565

-8.399981345

-0.391019005

3.5196

391.8964

1464.299

Circle

11

null

6

27

null

0

2

0

2

15

6

28

0

40

0

2

576

pd491

null

-9.517017152

4.745394798

75.3930106

60.17892468

5.647368313

73.74855607

0.0

57.53444621

0.0

128.7897169

104.6228625

197.4782266

75.15827214

null

-5.96

null

4

CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](COC[C@@H](C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C

233.0320107

82.48709664

2.862399314

60.43853126

29.46978843

218.2909152

81.43933784

70.53130467

0

0.0

null

['meV', 'Mono64', 'meL', 'Me_Phe(3-Cl)', 'L', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide']

[0.7715000000000001, -0.8292999999999999, 1.1616, 2.0116, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995]

[20.31, 58.56, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41]

21.23925341

0.0

11.60093989

276.9437489

75.01715897

29.46978843

299.2287244

54.38176837

10.67000163

0.0

0

2018_CHUGAI

2264

null

328.57

null

1095.269471

6.142463077

186.5759384

-9.306005026

-7.102145561

-101.7598289

-106.1975353

-82.46617201

-159.7950744

0.0

1.0

2018

null

0

2

0

12

0

8

4

0

7

1

0

12

0

2

0

1

0

1

0

1

0

0.117238565

null

88fc773368f2b200f0d186a5cbde7e84dea38852817d1a4ef79bdec189f0dedc

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,264

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dV', 'meF', 'Mono64', 'meL', 'V', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide']

93

2265

-5.6

Circle

7

-3.28e-16

-2.757998513

-2.91e-16

-2.890001941

-9.28e-17

-1.135218668

7.26e-16

-0.249287763

3.722369675

8553.357105

247.0

null

-5.6

182.90593

171.4902875

49.4902875

96.58961044

85.54623747

24.9019212

16.91081804

9.808213436

5.783073195

null

538.9207736

64.63106975

57.53444621

0

14.5825341

102.8673328

1442.915261

0.572815534

1.048543689

1.553398058

0.684210526

243.0

PEPTIDE2265{[dV].[meF].[Mono64].[meL].V.[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2265,PEPTIDE2265,1:R1-11:R2$$$

PEPTIDE2265{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/m...

-8.04

103

1320.905

2265

null

2.28e+88

17.32763536

40.86424281

26.87113807

782.6442208

null

18.35747165

0.391019005

18.35747165

0.247492366

2.340106527

0.247492366

-8.321738509

-0.391019005

3.5682

391.6663

1443.881

Circle

11

null

6

27

null

0

2

0

2

15

6

27

0

37

0

2

576

pd492

null

-8.490624567

3.584512129

75.43096898

60.17892468

7.059210392

72.31735641

0.0

57.53444621

0.0

128.9431082

106.2418093

186.850525

83.97980728

null

-5.6

null

4

CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC[C@@H](C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N1C

238.1841832

70.88615675

1.431199657

60.84843488

29.46978843

225.1428073

81.02249618

71.55109006

0

0.0

null

['dV', 'meF', 'Mono64', 'meL', 'V', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide']

[0.4292999999999995, 1.3581999999999996, -0.8292999999999999, 1.1616, 0.4292999999999995, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995]

[29.1, 20.31, 58.56, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41]

26.54906677

0.0

264.6080224

79.75402192

29.46978843

310.6718595

60.42418708

7.059210392

0.0

0

2018_CHUGAI

2265

null

326.36

null

1122.813

0.0

189.5701444

-13.97161956

-13.79663139

-101.285527

-108.9288675

-68.53559397

-172.3649055

0.0

1.0

2018

null

0

1

0

12

0

7

5

0

6

1

0

12

0

2

0

2

0

1

0

0.117146253

null

d5e6b46c2a78e9c5f47e3eb1f8cdbeabe1c79896a024b996b2c9363d6a5f6c9a

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,265

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'Mono64', 'meL', 'meL', 'Asp_piperidide']

96

2266

-5.89

Circle

1

-3.44e-16

-2.758593774

-3.27e-16

-2.890314529

-1.38e-16

-1.136007467

6.38e-16

-0.249287767

3.784531849

9045.054904

223.0

null

-5.89

192.90593

181.4902875

51.4902875

101.5509353

90.57263067

25.875528

17.50942484

10.15785127

5.97135822

null

564.6054716

85.15136457

57.53444621

0

14.5825341

93.27202292

1498.977861

0.542056075

1.009345794

1.523364486

0.7

228.0

PEPTIDE2266{[Mono6].[meL].V.[meF].[meF].[Ser(tBu)].[meL].[Mono64].[meL].[meL].[Asp_piperidide]}$PEPTIDE2266,PEPTIDE2266,1:R1-11:R2$$$

PEPTIDE2266{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/mono...

-8.04

107

1368.949

2266

null

1.7900000000000002e+93

17.64944444

43.22811326

28.48291677

819.4956681

null

18.47509448

0.391019005

18.47509448

0.247481289

2.383626117

0.247481289

-8.585564173

-0.391019005

5.0807

410.1446

1499.989

Circle

11

null

5

27

null

0

2

0

2

15

5

27

0

39

0

2

600

pd493

null

-9.260142425

3.784056718

75.02106536

60.17892468

5.647368313

72.31735641

0.0

57.53444621

0.0

128.9431082

118.9876591

221.7744806

74.74143048

null

-5.89

null

4

CC(C)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC[C@@H](C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CCCC(=O)N1C

249.1091681

70.88615675

1.431199657

60.43853126

29.46978843

244.261582

87.99832308

71.55109006

0

0.0

null

['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'Mono64', 'meL', 'meL', 'Asp_piperidide']

[0.5270999999999999, 1.1616, 0.4292999999999995, 1.3581999999999996, 1.3581999999999996, 0.5883999999999996, 1.1616, -0.8292999999999999, 1.1616, 1.1616, 0.1758999999999995]

[20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 58.56, 20.31, 20.31, 49.41]

21.23925341

0.0

276.4837591

79.75402192

29.46978843

342.1274612

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2266

null

317.57

null

1201.983509

0.0

187.3977228

-10.91353301

-13.97098055

-102.5301166

-110.8075795

-91.50414206

-181.1548805

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

6

1

0

12

0

2

0

2

0

1

0

0.115442408

null

51a20f0e71c127a472bb94cf19faf780b11eef219d8555a9bb1649fd689b4a1b

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,266

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meI', 'Mono64', 'Sar', 'meL', 'Asp_piperidide']

87

2267

-5.28

Circle

3

-3.15e-16

-2.757961344

-2.93e-16

-2.884015648

-1.56e-16

-1.135778315

5.89e-16

-0.249287767

3.705415381

8460.449793

232.0

null

-5.28

179.6988233

168.5820392

48.58203921

94.84382853

84.16438238

24.46727971

16.49911448

9.852361653

5.791621274

null

532.3687264

70.07302045

57.53444621

0

9.845671145

94.64278148

1412.904697

0.574257426

1.099009901

1.633663366

0.68

223.0

PEPTIDE2267{[meA].L.[meL].[meF].L.[meF].[meI].[Mono64].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2267,PEPTIDE2267,1:R1-11:R2$$$

PEPTIDE2267{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/monomers/Sar/">[Sar]</a>...

-8.0

101

1292.895

2267

null

5.9400000000000004e+85

16.87139918

40.59097448

25.18929151

768.5077073

null

18.36763857

0.391019005

18.36763857

0.247266515

2.375464838

0.247266515

-8.336249418

-0.391019005

3.8954

385.4966

1413.855

Circle

11

null

5

26

null

0

2

0

2

14

5

26

0

39

0

2

564

pd494

null

-7.786847237

3.466358158

70.2842024

60.17892468

5.647368313

72.31735641

0.0

57.53444621

0.0

135.3160332

98.91094995

195.1971104

69.07825412

null

-5.28

null

4

CC[C@H](C)[C@H]1C(=O)N[C@@H](COC[C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C

230.6647196

70.88615675

1.431199657

60.43853126

29.46978843

218.583822

81.43933784

71.55109006

0

0.0

null

['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meI', 'Mono64', 'Sar', 'meL', 'Asp_piperidide']

[0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.8292999999999999, -0.2531000000000001, 1.1616, 0.1758999999999995]

[20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 58.56, 20.31, 20.31, 49.41]

21.23925341

0.0

264.323723

75.01715897

29.46978843

308.3431665

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2267

null

308.34

null

1101.650675

0.0

185.7300979

-10.39154152

-7.167675374

-100.8729619

-108.7810159

-82.59378179

-158.8237965

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

12

0

2

0

1

0

1

0

0.133370965

null

cb97d2b391aa72456c2c0d9292eae7bf280c0f2c51f21324ead471997659f64c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,267

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Mono64', 'meL', 'meF', 'L', 'meF', 'meI', 'V', 'Sar', 'meL', 'Asp_piperidide']

87

2268

-5.43

Circle

1

-3.68e-16

-2.757929061

-2.86e-16

-2.884502597

-9.23e-17

-1.135210248

9.41e-16

-0.249287763

3.678876401

8336.911415

230.0

null

-5.43

177.1988233

166.0820392

48.08203921

93.59382853

82.91438238

24.21727971

16.37411448

9.845763352

5.754636792

null

525.9958015

67.33150334

57.53444621

0

9.845671145

94.64278148

1398.889046

0.6

1.17

1.74

0.675675676

232.0

PEPTIDE2268{[meA].[Mono64].[meL].[meF].L.[meF].[meI].V.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2268,PEPTIDE2268,1:R1-11:R2$$$

PEPTIDE2268{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/Sar/">[Sar]</a>...

-8.0

100

1280.884

2268

null

1.17e+85

16.7923472

39.85185986

24.09714711

759.3328242

null

18.30649954

0.391019005

18.30649954

0.247480868

2.364114498

0.247480868

-8.292379053

-0.391019005

3.5053

380.8796

1399.828

Circle

11

null

5

26

null

0

2

0

2

14

5

26

0

38

0

2

558

pd495

null

-7.430081795

3.398945117

70.2842024

60.17892468

5.647368313

72.31735641

0.0

57.53444621

0.0

135.3160332

92.53802505

192.4555933

69.07825412

null

-5.43

null

4

CC[C@H](C)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COC[C@@H](C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C

227.9232025

70.88615675

1.431199657

60.43853126

29.46978843

212.2108971

81.43933784

71.55109006

0

0.0

null

['meA', 'Mono64', 'meL', 'meF', 'L', 'meF', 'meI', 'V', 'Sar', 'meL', 'Asp_piperidide']

[0.1353999999999999, -0.8292999999999999, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, 0.4292999999999995, -0.2531000000000001, 1.1616, 0.1758999999999995]

[20.31, 58.56, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41]

21.23925341

0.0

264.323723

75.01715897

29.46978843

299.2287244

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2268

null

308.34

null

1082.0107

0.0

185.2918797

-10.26201116

-7.125503126

-100.6820189

-108.1450045

-74.78440568

-158.803636

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

12

0

2

0

1

0

1

0

0.142793217

null

e08a9fa199359120bcf0facd942841512fe612547b5a755d5b782ec1842feb4e

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,268

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'meF', 'V', 'meL', 'Mono64', 'Bu_Gly', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

97

2269

-6.0

-6

Circle

1

-3.59e-16

-2.757877836

-3.21e-16

-2.886902998

-1.3e-16

-1.135232933

8.17e-16

-0.24929128

3.747508704

8690.869685

228.0

null

-6.0

185.40593

173.9902875

49.9902875

97.80093531

86.82263067

25.125528

16.88442484

9.796227645

5.751913082

null

545.4866969

68.7022619

57.53444621

0

14.5825341

101.4965743

1456.930911

0.605769231

1.125

1.644230769

0.688311688

221.0

PEPTIDE2269{[Sar].[meF].V.[meL].[Mono64].[Bu_Gly].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2269,PEPTIDE2269,1:R1-11:R2$$$

PEPTIDE2269{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser...

-8.04

104

1332.916

2269

null

8.529999999999999e+89

17.40675192

42.192469

27.45872485

791.9710188

null

18.32406343

0.391019005

18.32406343

0.247524958

2.286898734

0.247524958

-8.405153891

-0.391019005

4.0561

396.3856

1457.908

Circle

11

null

5

27

null

0

2

0

2

15

5

27

0

38

0

2

582

pd496

null

-8.234641965

3.930136786

75.02106536

54.16103222

5.647368313

72.31735641

0.0

57.53444621

0.0

128.464141

106.7207765

196.0889018

91.84742552

null

-6.0

null

4

CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC[C@@H](C)O)C1=O

240.8846168

70.88615675

1.431199657

60.43853126

23.57583074

225.0188725

94.01621555

71.55109006

0

0.0

null

['Sar', 'meF', 'V', 'meL', 'Mono64', 'Bu_Gly', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

[-0.2531000000000001, 1.3581999999999996, 0.4292999999999995, 1.1616, -0.8292999999999999, 0.9172, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995]

[20.31, 20.31, 29.1, 20.31, 58.56, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41]

21.23925341

0.0

276.4837591

79.75402192

23.57583074

320.6780928

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2269

null

317.57

null

1141.664162

0.0

186.4568798

-10.71011997

-13.76870564

-94.57664193

-101.1166415

-81.82686869

-181.3720645

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

6

1

0

12

0

2

0

2

0

1

0

0.117739504

null

ecf8a0f4eec35f3bb5fea60f12297ced62420154e7b0c3858ca5a41a89af0bd1

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,269

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'meF', 'Mono64', 'meL', 'I', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

94

2270

-5.48

Circle

3

-3.06e-16

-2.75787432

-2.53e-16

-2.886339339

-7.87e-17

-1.13525368

8.72e-16

-0.249287763

3.671101581

8459.067276

248.0

null

-5.48

180.40593

168.9902875

48.9902875

95.30093531

84.32263067

24.625528

16.64762144

9.691022547

5.64853791

null

532.7408471

59.106952

57.53444621

0

14.5825341

105.6088499

1428.899611

0.588235294

1.078431373

1.568627451

0.68

242.0

PEPTIDE2270{[Sar].[meF].[Mono64].[meL].I.[Sar].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2270,PEPTIDE2270,1:R1-11:R2$$$

PEPTIDE2270{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono64/">[Mono64]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/...

-8.04

102

1308.894

2270

null

3.9200000000000003e+86

17.24947549

40.71124927

26.33943296

773.6212525

null

18.09513284

0.391019005

18.09513284

0.247481287

2.274066203

0.247481287

-8.293023567

-0.391019005

3.2759

387.1516

1429.854

Circle

11

null

5

27

null

0

2

0

2

15

5

27

0

36

0

2

570

pd497

null

-7.813122234

3.804087131

75.02106536

54.16103222

5.647368313

72.31735641

0.0

57.53444621

0.0

121.6122489

100.3478516

191.0848347

91.84742552

null

-5.48

null

4

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC[C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C1=O

235.4015826

70.88615675

1.431199657

60.43853126

23.57583074

211.7940555

94.49518277

71.55109006

0

0.0

null

['Sar', 'meF', 'Mono64', 'meL', 'I', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

[-0.2531000000000001, 1.3581999999999996, -0.8292999999999999, 1.1616, 0.8193999999999999, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995]

[20.31, 20.31, 58.56, 20.31, 29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41]

21.23925341

0.0

276.9627263

79.75402192

23.57583074

301.9702416

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2270

null

317.57

null

1101.2873

0.0

185.3428354

-10.48399789

-13.58327497

-93.44141596

-99.76696251

-74.66938329

-172.4351008

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

12

0

2

0

2

0

1

0

0.134828471

null

4d89e5a8b4ba33bf650fe37326c8115a38279be2262886ac075ff7737e568fb2

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,270

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'Ser(EtOH)', 'meL', 'meL', 'Asp_piperidide']

99

2271

-5.96

Circle

2

-3.53e-16

-2.758590957

-3.26e-16

-2.890084857

-1.85e-16

-1.136007143

5.96e-16

-0.249287767

3.758005294

8921.965931

216.0

null

-5.96

190.40593

178.9902875

50.9902875

100.3009353

89.32263067

25.625528

17.28236277

10.10682023

5.945842702

null

558.2325467

85.15136457

57.53444621

0

14.5825341

90.53050581

1484.962211

0.547169811

1.009433962

1.528301887

0.696202532

212.0

PEPTIDE2271{[Mono6].[meL].V.[meF].[meF].[Ser(tBu)].[meL].[Ser(EtOH)].[meL].[meL].[Asp_piperidide]}$PEPTIDE2271,PEPTIDE2271,1:R1-11:R2$$$

PEPTIDE2271{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(EtOH)/">[Ser(EtOH)]</a>.<a href=...

-8.04

106

1356.938

2271

null

1.5300000000000002e+93

17.56769396

43.08136047

27.63257974

810.320785

null

18.44689991

0.393980324

18.44689991

0.247481289

2.373353853

0.247481289

-8.519360469

-0.393980324

4.6922

405.5496

1485.962

Circle

11

null

5

27

null

0

2

0

2

15

5

27

0

38

0

2

594

pd498

null

-9.051670035

3.814910452

75.02106536

60.17892468

5.647368313

72.31735641

0.0

57.53444621

0.0

128.9431082

112.135767

217.6622049

76.59115626

null

-5.96

null

4

CC(C)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CCCC(=O)N1C

246.367651

70.88615675

1.431199657

60.43853126

29.46978843

231.3296718

94.55730833

71.55109006

0

0.0

null

['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'Ser(EtOH)', 'meL', 'meL', 'Asp_piperidide']

[0.5270999999999999, 1.1616, 0.4292999999999995, 1.3581999999999996, 1.3581999999999996, 0.5883999999999996, 1.1616, -1.2178, 1.1616, 1.1616, 0.1758999999999995]

[20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 58.56, 20.31, 20.31, 49.41]

21.23925341

0.0

276.9627263

79.75402192

29.46978843

332.5340519

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2271

null

317.57

null

1182.660465

0.0

186.9824589

-10.93099363

-13.91251275

-102.0087976

-110.2366398

-85.1158976

-180.1880826

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

6

1

0

12

0

2

0

2

0

1

0

0.112338289

null

2999d80ac43fc028d5fcb48c315814cb7a4d974c42eaf179b9bc810429e21eb1

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,271

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meI', 'Ser(EtOH)', 'Sar', 'meL', 'Asp_piperidide']

90

2272

-5.33

Circle

6

-3.46e-16

-2.757960785

-2.97e-16

-2.883783889

-6.75e-17

-1.135778288

5.59e-16

-0.249287767

3.683602769

8338.42119

218.0

null

-5.33

177.1988233

166.0820392

48.08203921

93.59382853

82.91438238

24.21727971

16.27205241

9.801330617

5.766105756

null

525.9958015

70.07302045

57.53444621

0

9.845671145

91.90126436

1398.889046

0.58

1.1

1.64

0.675675676

214.0

PEPTIDE2272{[meA].L.[meL].[meF].L.[meF].[meI].[Ser(EtOH)].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2272,PEPTIDE2272,1:R1-11:R2$$$

PEPTIDE2272{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/Ser(EtOH)/">[Ser(EtOH)]</a>.<a href="/monomers/Sar/">[Sa...

-8.0

100

1280.884

2272

null

2.4900000000000002e+85

16.7923472

40.44444444

24.37980917

759.3328242

null

18.30609395

0.393980324

18.30609395

0.247266512

2.365192574

0.247266512

-8.321509017

-0.393980324

3.5069

380.9016

1399.828

Circle

11

null

5

26

null

0

2

0

2

14

5

26

0

38

0

2

558

pd499

null

-7.594955427

3.493412443

70.2842024

60.17892468

5.647368313

72.31735641

0.0

57.53444621

0.0

135.3160332

92.05905784

191.0848347

70.92797989

null

-5.33

null

4

CC[C@H](C)[C@H]1C(=O)N[C@@H](COCCO)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C

227.9232025

70.88615675

1.431199657

60.43853126

29.46978843

205.6519119

87.99832308

71.55109006

0

0.0

null

['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meI', 'Ser(EtOH)', 'Sar', 'meL', 'Asp_piperidide']

[0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -1.2178, -0.2531000000000001, 1.1616, 0.1758999999999995]

[20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 58.56, 20.31, 20.31, 49.41]

21.23925341

0.0

264.8026902

75.01715897

29.46978843

298.7497572

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2272

null

308.34

null

1082.687049

0.0

185.3194042

-10.41541138

-7.129062846

-100.3660141

-108.228705

-76.47460615

-157.8926542

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

12

0

2

0

1

0

1

0

0.12587869

null

016c6a8adbd9a78f57eb7f234ba821bf7f21b06e1cdb78e64d1fc978bd90623d

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,272

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Ser(EtOH)', 'meL', 'meF', 'L', 'meF', 'meI', 'V', 'Sar', 'meL', 'Asp_piperidide']

90

2273

-5.66

Circle

4

-3.1e-16

-2.757927934

-3.1e-16

-2.884393243

-1.41e-16

-1.135209983

8.84e-16

-0.249287763

3.656131993

8215.091514

237.0

null

-5.66

174.6988233

163.5820392

47.58203921

92.34382853

81.66438238

23.96727971

16.14705241

9.794732316

5.729121274

null

519.6228766

63.21922767

57.53444621

0

9.845671145

96.01354003

1384.873396

0.606060606

1.171717172

1.747474747

0.671232877

232.0

PEPTIDE2273{[meA].[Ser(EtOH)].[meL].[meF].L.[meF].[meI].V.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2273,PEPTIDE2273,1:R1-11:R2$$$

PEPTIDE2273{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Ser(EtOH)/">[Ser(EtOH)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/Sar/">[Sa...

-8.0

99

1268.873

2273

null

1.69e+82

16.71428571

39.70204945

23.83502616

750.1579411

null

18.28351909

0.393980324

18.28351909

0.247480865

2.346226079

0.247480865

-8.23357948

-0.393980324

3.1168

376.2846

1385.801

Circle

11

null

5

26

null

0

2

0

2

14

5

26

0

37

0

2

552

pd500

null

-7.23193074

3.401986948

70.2842024

60.17892468

5.647368313

72.31735641

0.0

57.53444621

0.0

135.3160332

85.68613294

188.3433176

70.92797989

null

-5.66

null

4

CC[C@H](C)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COCCO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C

225.1816854

70.88615675

1.431199657

60.43853126

29.46978843

199.278987

87.99832308

71.55109006

0

0.0

null

['meA', 'Ser(EtOH)', 'meL', 'meF', 'L', 'meF', 'meI', 'V', 'Sar', 'meL', 'Asp_piperidide']

[0.1353999999999999, -1.2178, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, 0.4292999999999995, -0.2531000000000001, 1.1616, 0.1758999999999995]

[20.31, 58.56, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41]

21.23925341

0.0

264.8026902

75.01715897

29.46978843

289.6353152

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2273

null

308.34

null

1063.049522

0.0

184.8720069

-10.28306259

-7.086890598

-100.1888643

-107.5525446

-68.6545743

-157.905593

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

12

0

2

0

1

0

1

0

0.134112124

null

7b338eedec0a8e3cc79aa19dd87280ee5cc08e23922610bdc1db95e2ad73a202

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,274

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'meF', 'Mono65', 'meL', 'I', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

94

2275

-6.0

-6

Circle

6

-2.98e-16

-2.757876646

-2.11e-16

-2.884745198

-2.41e-17

-1.135260627

1.33e-15

-0.249287763

3.699008539

8578.467093

208.0

null

-6.0

182.1988233

169.2159326

50.21593263

96.09382853

84.48132909

25.28422642

17.21419429

10.01398511

5.761361294

null

538.0660577

59.106952

70.70569135

0

9.845671145

104.2380914

1480.892081

0.60952381

1.095238095

1.59047619

0.684210526

215.0

PEPTIDE2275{[Sar].[meF].[Mono65].[meL].I.[Sar].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2275,PEPTIDE2275,1:R1-11:R2$$$

PEPTIDE2275{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono65/">[Mono65]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/...

-8.21

105

1361.9

2275

null

6.14e+87

18.55307498

41.05519163

27.26747431

785.9642851

null

18.09485582

0.413838128

18.09485582

0.413838128

2.341767458

0.383676801

-8.339880047

-0.383676801

4.972

390.5646

1481.852

Circle

11

null

5

26

null

0

2

0

2

14

5

29

0

35

0

2

588

pd502

null

-9.625545445

2.945168271

70.2842024

60.24105024

5.647368313

72.31735641

0.0

6.176298517

57.53444621

0.0

13.17124514

0.0

121.6122489

112.6147342

195.1971104

67.16640278

null

-6.0

null

4

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCC(O)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C1=O

242.4652062

70.88615675

1.431199657

60.43853126

23.57583074

230.2372366

81.37721228

71.55109006

0

0.0

null

['Sar', 'meF', 'Mono65', 'meL', 'I', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

[-0.2531000000000001, 1.3581999999999996, 0.8667999999999993, 1.1616, 0.8193999999999999, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995]

[20.31, 20.31, 49.33, 20.31, 29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41]

21.23925341

13.17124514

0.0

270.0210543

75.01715897

23.57583074

312.8663656

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2275

null

308.34

null

1136.94294

0.0

184.9446751

-11.43386101

-13.74896462

-94.80072902

-101.3821902

-106.9011358

-154.6207345

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

3

0

12

0

2

0

1

0

3

0

1

0

0.124098202

null

cd7a60cfd0acffc94f98751139a1ea3e09358f5934cf69b4748a9bdf1f2916a6

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,275

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'L', 'Me_Abu', 'meF', 'L', 'meF', 'meV', 'Mono66', 'Sar', 'meL', 'Asp_piperidide']

90

2276

-5.7

Circle

5

-2.29e-16

-2.757948485

-1.52e-16

-2.882435893

8.03e-17

-1.135070969

1.72e-15

-0.249287763

3.59423745

8111.987442

211.0

null

-5.7

172.1988233

159.2159326

48.21593263

91.09382853

79.48132909

24.28422642

16.49687355

9.859825843

5.671882481

null

512.5743581

57.73619345

70.70569135

0

9.845671145

94.64278148

1424.829481

0.613861386

1.138613861

1.663366337

0.666666667

213.0

PEPTIDE2276{[meA].L.[Me_Abu].[meF].L.[meF].[meV].[Mono66].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2276,PEPTIDE2276,1:R1-11:R2$$$

PEPTIDE2276{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/Mono66/">[Mono66]</a>.<a href="/monomers/Sar/">[Sa...

-8.21

101

1313.856

2276

null

5.8999999999999995e+81

18.2823849

39.27851414

24.5020119

749.2647527

null

18.06389519

0.416122127

18.06389519

0.416122127

2.308703219

0.381550973

-8.11922784

-0.381550973

3.4116

372.0966

1425.744

Circle

11

null

5

26

null

0

2

0

2

14

5

29

0

35

0

2

564

pd503

null

-8.711388349

2.526320365

70.2842024

60.17892468

11.72738634

72.31735641

0.0

6.176298517

57.53444621

0.0

13.17124514

0.0

122.0912161

86.16510015

182.8602834

62.99823609

null

-5.7

null

4

CC[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](COCC(O)C(F)(F)F)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1C

231.4991378

70.88615675

1.431199657

60.43853126

23.57583074

204.6834114

81.43933784

71.55109006

0

0.0

null

['meA', 'L', 'Me_Abu', 'meF', 'L', 'meF', 'meV', 'Mono66', 'Sar', 'meL', 'Asp_piperidide']

[0.1353999999999999, 0.8193999999999995, 0.5255000000000001, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 0.7715000000000001, -0.2869000000000001, -0.2531000000000001, 1.1616, 0.1758999999999995]

[20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 58.56, 20.31, 20.31, 49.41]

21.23925341

13.17124514

0.0

270.5000215

75.01715897

23.57583074

275.9296303

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2276

null

308.34

null

1057.295

0.0

183.0549884

-10.78576625

-6.999784926

-92.3592043

-106.7530797

-82.90696933

-146.5451843

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

3

0

12

0

2

0

1

0

3

0

1

0

0.151732636

null

43a022e90b4865ad4fd0a4a21aca91d1ad5150c2cec7168d6c97a9d013bd3675

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,276

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Sar', 'meF', 'Mono66', 'meL', 'I', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

94

2277

-5.39

Circle

2

-2.59e-16

-2.757874272

-1.82e-16

-2.886412768

7.85e-17

-1.135252931

1.51e-15

-0.249287763

3.671101581

8479.306587

241.0

null

-5.39

180.40593

167.1241809

50.12418092

95.30093531

83.38957738

25.19247471

17.14538051

9.948486737

5.706401667

null

532.0652535

59.106952

70.70569135

0

14.5825341

101.4965743

1482.871346

0.6

1.076190476

1.552380952

0.68

226.0

PEPTIDE2277{[Sar].[meF].[Mono66].[meL].I.[Sar].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2277,PEPTIDE2277,1:R1-11:R2$$$

PEPTIDE2277{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono66/">[Mono66]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/...

-8.25

105

1365.888

2277

null

2.51e+87

18.88036242

41.02608497

27.24524189

781.9029472

null

18.07472468

0.416122127

18.07472468

0.416122127

2.314066203

0.381550973

-8.315523567

-0.381550973

3.8183

387.5326

1483.824

Circle

11

null

5

27

null

0

2

0

2

15

5

30

0

35

0

2

588

pd504

null

-9.774373634

3.00898434

75.02106536

54.16103222

11.72738634

72.31735641

0.0

6.176298517

57.53444621

0.0

13.17124514

0.0

121.6122489

93.49595948

186.9725591

85.76740749

null

-5.39

null

4

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COCC(O)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C1=O

244.4605521

70.88615675

1.431199657

60.43853126

23.57583074

211.1184619

94.49518277

71.55109006

0

0.0

null

['Sar', 'meF', 'Mono66', 'meL', 'I', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide']

[-0.2531000000000001, 1.3581999999999996, -0.2869000000000001, 1.1616, 0.8193999999999999, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995]

[20.31, 20.31, 58.56, 20.31, 29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41]

21.23925341

13.17124514

0.0

283.1390248

79.75402192

23.57583074

291.0060738

60.42418708

5.647368313

0.0

0

2018_CHUGAI

2277

null

317.57

null

1118.819279

0.0

184.4576242

-11.29302567

-13.67949674

-94.20054768

-100.6232585

-83.70289107

-168.5276838

0.0

1.0

2018

null

0

1

0

12

0

8

4

0

7

1

0

3

0

12

0

2

0

2

0

3

0

1

0

0.13355644

null

5ad21bd6939d7e62de07a1e487b9762b6e39822dbafce41aef0ac533df49cadd

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,277

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'W', 'K', 'W', 'dP']

26

2278

-5.57

Circle

4

2.77e-17

-2.677669111

6.21e-17

-2.870066627

3.28e-16

-1.08698572

10.099531

-0.189731558

2.117192376

4307.297757

220.0

null

82.32050808

76.56616381

25.56616381

45.84721708

38.79407224

13.82193629

9.281257991

6.121417465

3.928357216

null

283.9956856

23.46722954

23.97268592

0

0.0

46.85229204

725.4013157

0.716981132

1.20754717

1.79245283

0.461538462

212.0

PEPTIDE2278{K.W.K.W.[dP]}$PEPTIDE2278,PEPTIDE2278,1:R1-5:R2$$$

PEPTIDE2278{<a href="/monomers/K/">K</a>.<a href="/monomers/W/">W</a>.<a href="/monomers/K/">K</a>.<a href="/monomers/W/">W</a>.<a href="/monomers/dP/">[dP]</a>}$PEPTIDE2278,PEPTIDE2278,1:R1-5:R2$$$

-5.21

53

674.487

2278

null

5.79e+30

9.712523822

17.53909845

8.884099992

380.3328897

null

16.36992249

0.360888473

16.36992249

0.245676964

0.554977446

0.245676964

-6.455615917

-0.360888473

1.6362

202.274

725.895

Circle

5

null

10

14

null

0

2

4

7

8

14

0

14

0

2

282

cyclo(KWKWp)

-5.57

5.00028179

8.147528543

47.53260364

35.73683066

8.47105247

29.53589865

0.0

23.97268592

0.0

36.25451225

87.18885898

89.03407223

20.56137834

null

-5.57

null

6

NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O

94.29220751

51.34174851

0.0

36.09316968

11.43943395

93.81871136

19.49057905

71.81204307

0

0.0

null

['K', 'W', 'K', 'W', 'dP']

[0.1629999999999996, 1.4972999999999994, 0.1629999999999996, 1.4972999999999994, 0.2794999999999998]

[41.13, 44.89, 41.13, 44.89, 20.31]

32.67868736

0.0

93.96985631

36.71853572

0.0

118.311403

60.68514008

14.11842078

21.80584986

0

2018_García-Pindado

2278

null

220.33

5.3

451.1288248

0.0

77.73837942

-12.56159604

-10.67150113

-20.12926199

-44.0316977

-60.72817737

-15.24496998

0.0

1.0

2018

null

0

2

0

5

0

1

6

2

0

2

0

5

0

2

0

3

0

2

0

0.10086835

null

c62e7471d902dfe414b9711af6de97b88f82e3e524db48a0972f7e49ae13133c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,278

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'Trp(5-Br)', 'K', 'Trp(5-Br)', 'dP']

42

2279

-5.33

Circle

7

1.15e-16

-2.677664825

1e-16

-2.870065544

0.922473451

-1.086985676

10.40107636

-0.189731558

2.117192376

4319.470667

202.0

null

82.32050808

75.32209276

29.49408584

45.84721708

38.17203672

15.7858973

9.659222464

11.245219

6.310399702

7.103397971

4.070093893

4.664842596

null

280.8562872

23.46722954

23.97268592

0

31.8598878

44.11077493

881.2223399

0.745454545

1.236363636

1.8

0.461538462

207.0

PEPTIDE2279{K.[Trp(5-Br)].K.[Trp(5-Br)].[dP]}$PEPTIDE2279,PEPTIDE2279,1:R1-5:R2$$$

PEPTIDE2279{<a href="/monomers/K/">K</a>.<a href="/monomers/Trp(5-Br)/">[Trp(5-Br)]</a>.<a href="/monomers/K/">K</a>.<a href="/monomers/Trp(5-Br)/">[Trp(5-Br)]</a>.<a href="/monomers/dP/">[dP]</a>}$PEPTIDE2279,PEPTIDE2279,1:R1-5:R2$$$

-4.25

55

834.295

2279

null

5.489999999999999e+30

11.44759229

18.59006643

9.770241062

405.2580439

null

16.40770027

0.360887412

16.40770027

0.245676964

0.484691979

0.245676964

-6.410615917

-0.360887412

3.1612

217.674

883.687

Circle

5

null

10

14

null

0

2

4

7

8

16

0

14

0

2

294

Monocyclic 5Br

-5.33

2.785414969

8.85038773

47.53260364

35.73683066

8.47105247

29.53589865

0.0

23.97268592

0.0

31.8598878

111.3585338

97.97951126

17.81986123

null

-5.33

null

6

NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC1=O

91.55069039

83.20163631

0.0

36.09316968

11.43943395

93.81871136

19.49057905

68.67264468

0

0.0

null

['K', 'Trp(5-Br)', 'K', 'Trp(5-Br)', 'dP']

[0.1629999999999996, 2.2598, 0.1629999999999996, 2.2598, 0.2794999999999998]

[41.13, 44.89, 41.13, 44.89, 20.31]

32.67868736

0.0

31.8598878

93.96985631

36.71853572

0.0

115.5698859

57.5457417

14.11842078

21.80584986

0

2018_García-Pindado

2279

null

220.33

8.9

434.4538904

5.304086536

78.0966405

-12.08475796

-10.23898575

-19.91199467

-39.24253257

-60.20610078

-15.17024573

0.0

1.0

2018

null

0

2

0

5

0

1

6

2

0

2

0

5

0

2

0

3

0

2

0

0.099354167

null

cf8487b86629832a38ddc2b9a57d26d74b93b1f77a58c3df130c0010e1314205

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,279

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'Trp(6-Br)', 'K', 'Trp(6-Br)', 'dP']

42

2280

-5.34

Circle

4

1.1e-16

-2.677667814

1.95e-16

-2.870066343

0.922473788

-1.086985682

10.4004741

-0.189731558

2.117192376

4319.470667

211.0

null

82.32050808

75.32209276

29.49408584

45.84721708

38.17203672

15.7858973

9.659222464

11.245219

6.310399702

7.103397971

4.065106047

4.638924985

null

280.8562872

23.46722954

23.97268592

0

31.8598878

44.11077493

881.2223399

0.745454545

1.236363636

1.8

0.461538462

204.0

PEPTIDE2280{K.[Trp(6-Br)].K.[Trp(6-Br)].[dP]}$PEPTIDE2280,PEPTIDE2280,1:R1-5:R2$$$

PEPTIDE2280{<a href="/monomers/K/">K</a>.<a href="/monomers/Trp(6-Br)/">[Trp(6-Br)]</a>.<a href="/monomers/K/">K</a>.<a href="/monomers/Trp(6-Br)/">[Trp(6-Br)]</a>.<a href="/monomers/dP/">[dP]</a>}$PEPTIDE2280,PEPTIDE2280,1:R1-5:R2$$$

-4.25

55

834.295

2280

null

7.119999999999999e+30

11.44759229

18.59006643

9.770241062

405.2580439

null

16.40121155

0.360856213

16.40121155

0.245676964

0.458033002

0.245676964

-6.418425835

-0.360856213

3.1612

217.674

883.687

Circle

5

null

10

14

null

0

2

4

7

8

16

0

14

0

2

294

Monocyclic 6Br

-5.34

2.860759063

8.98929674

47.53260364

35.73683066

8.47105247

29.53589865

0.0

23.97268592

0.0

43.94472521

99.27369639

97.97951126

17.81986123

null

-5.34

null

6

NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O

91.55069039

83.20163631

0.0

36.09316968

11.43943395

93.81871136

19.49057905

68.67264468

0

0.0

null

['K', 'Trp(6-Br)', 'K', 'Trp(6-Br)', 'dP']

[0.1629999999999996, 2.2598, 0.1629999999999996, 2.2598, 0.2794999999999998]

[41.13, 44.89, 41.13, 44.89, 20.31]

32.67868736

0.0

31.8598878

93.96985631

36.71853572

0.0

115.5698859

57.5457417

14.11842078

21.80584986

0

2018_García-Pindado

2280

null

220.33

8.9

434.9742049

5.381824649

78.11412292

-12.22009233

-10.20118424

-19.95082922

-39.63950377

-60.27790151

-15.18064143

0.0

1.0

2018

null

0

2

0

5

0

1

6

2

0

2

0

5

0

2

0

3

0

2

0

0.099354167

null

1a9fa698f7454be968bc281154ac44f526ce2e7e23fc48af3cf9770314e784fc

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,280

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'Trp(7-Br)', 'K', 'Trp(7-Br)', 'dP']

42

2281

-5.89

Circle

9

1.19e-16

-2.677666806

1.37e-16

-2.870066223

0.922473642

-1.086985675

10.39862708

-0.189731558

2.117192376

4319.470667

193.0

null

82.32050808

75.32209276

29.49408584

45.84721708

38.17203672

15.7858973

9.659222464

11.245219

6.394915127

7.542553004

4.112351606

4.884420112

null

280.8562872

23.46722954

23.97268592

0

31.8598878

44.11077493

881.2223399

0.745454545

1.236363636

1.8

0.461538462

211.0

PEPTIDE2281{K.[Trp(7-Br)].K.[Trp(7-Br)].[dP]}$PEPTIDE2281,PEPTIDE2281,1:R1-5:R2$$$

PEPTIDE2281{<a href="/monomers/K/">K</a>.<a href="/monomers/Trp(7-Br)/">[Trp(7-Br)]</a>.<a href="/monomers/K/">K</a>.<a href="/monomers/Trp(7-Br)/">[Trp(7-Br)]</a>.<a href="/monomers/dP/">[dP]</a>}$PEPTIDE2281,PEPTIDE2281,1:R1-5:R2$$$

-4.25

55

834.295

2281

null

5.44e+30

11.44759229

18.59006643

9.417394835

405.2580439

null

16.40770027

0.359972777

16.40770027

0.245676964

0.406566979

0.245676964

-6.410615917

-0.359972777

3.1612

217.674

883.687

Circle

5

null

10

14

null

0

2

4

7

8

16

0

14

0

2

294

Monocyclic 7Br

-5.89

2.820853122

9.760675301

47.53260364

35.73683066

8.47105247

29.53589865

0.0

23.97268592

0.0

24.16967483

119.0487468

86.94610983

28.85326267

null

-5.89

null

6

NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3c(Br)cccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3c(Br)cccc23)NC1=O

91.55069039

83.20163631

0.0

36.09316968

11.43943395

93.81871136

19.49057905

68.67264468

0

0.0

null

['K', 'Trp(7-Br)', 'K', 'Trp(7-Br)', 'dP']

[0.1629999999999996, 2.2598, 0.1629999999999996, 2.2598, 0.2794999999999998]

[41.13, 44.89, 41.13, 44.89, 20.31]

32.67868736

0.0

31.8598878

93.96985631

36.71853572

0.0

115.5698859

57.5457417

14.11842078

21.80584986

0

2018_García-Pindado

2281

null

220.33

2.6

434.2428558

5.41757482

78.2528905

-12.08475796

-9.918985753

-19.91199467

-39.67623627

-60.15110078

-15.17024573

0.0

1.0

2018

null

0

2

0

5

0

1

6

2

0

2

0

5

0

2

0

3

0

2

0

2

0

0.099354167

null

dc91ae8d6565dc306693c783a7b5fec52538c0ed7a4ff089dbe244bc4d72212e

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,281

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Mono67', 'd(N->O)aIle', 'A', 'Me_dF', 'Sar', 'I']

58

2282

-4.47

Circle

7

-2.34e-16

-2.763591859

-1.97e-16

-2.85359853

-1.1e-16

-1.14840288

2.32e-16

-0.249287485

4.885779859

4714.853408

140.0

null

109.1683257

102.3185509

29.31855088

57.48532819

50.90905359

14.60637811

9.778242338

5.906578388

3.216340757

null

314.2628521

21.97322042

33.56176029

0

14.5825341

78.23476232

855.5357435

0.93442623

1.704918033

2.327868852

0.673913043

140.0

PEPTIDE2282{[meA].[Mono67].[d(N->O)aIle].A.[Me_dF].[Sar].I}$PEPTIDE2282,PEPTIDE2282,1:R1-7:R2$$$

PEPTIDE2282{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono67/">[Mono67]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/I/">I</a>}$PEPTIDE2282,PEPTIDE2282,1:R1-7:R2$$$

-4.79

61

782.531

2282

null

2.93e+44

10.10556039

24.60127075

14.67441202

465.6304878

null

16.40448728

0.460180898

16.40448728

0.333684054

1.870073473

0.333684054

-7.401487828

-0.460180898

4.0499

232.3952

856.115

Circle

7

null

3

15

null

0

1

0

1

10

3

15

0

23

0

342

compound.1a

-4.47

-0.030513737

-4.380338897

39.90189

30.1515879

8.903702184

25.05991857

5.907179729

11.93861058

23.97268592

9.589074368

0.0

96.97325991

57.02581792

120.0531461

33.13825605

null

-4.47

null

2

CCC[C@H](C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C

146.9210775

41.47450922

1.431199657

25.3193559

23.57583074

149.0680945

27.42434039

47.40072131

0

0.0

null

['meA', 'Mono67', 'd(N->O)aIle', 'A', 'Me_dF', 'Sar', 'I']

[0.1353999999999999, 2.9699000000000018, 1.2464, -0.2068000000000003, 1.3581999999999996, -0.2531000000000001, 0.8193999999999999]

[20.31, 46.53, 26.3, 29.1, 20.31, 20.31, 29.1]

10.61962671

0.0

132.4502106

49.4084111

23.57583074

201.9000961

41.83726981

2.823684157

0.0

0

2018_Kaneda

2282

null

191.96

null

644.4367262

0.0

104.3093349

-1.630818882

-6.615637161

-58.89343427

-42.40665676

-57.81995547

-83.12955859

0.0

1.0

2018

null

0

1

0

7

0

3

2

0

3

0

5

0

1

0

2

0

2

0

0.305680563

null

9ecc91639d72ef82acdb9ebcb791f7a9c0a4e5c298f55ef8301de8d78e66bcf0

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,282

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Mono67', 'd(N->O)aIle', 'dA', 'Me_dF', 'Sar', 'I']

59

2283

-5.39

Circle

6

-2.34e-16

-2.763591859

-1.97e-16

-2.85359853

-1.1e-16

-1.14840288

2.32e-16

-0.249287485

4.885779859

4714.853408

155.0

null

109.1683257

102.3185509

29.31855088

57.48532819

50.90905359

14.60637811

9.778242338

5.906578388

3.216340757

null

314.2628521

21.97322042

33.56176029

0

14.5825341

78.23476232

855.5357435

0.93442623

1.704918033

2.327868852

0.673913043

137.0

PEPTIDE2283{[meA].[Mono67].[d(N->O)aIle].[dA].[Me_dF].[Sar].I}$PEPTIDE2283,PEPTIDE2283,1:R1-7:R2$$$

PEPTIDE2283{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono67/">[Mono67]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/I/">I</a>}$PEPTIDE2283,PEPTIDE2283,1:R1-7:R2$$$

-4.79

61

782.531

2283

null

2.93e+44

10.10556039

24.60127075

14.67441202

465.6304878

null

16.40448728

0.460180898

16.40448728

0.333684054

1.870073473

0.333684054

-7.401487828

-0.460180898

4.0499

232.3952

856.115

Circle

7

null

3

15

null

0

1

0

1

10

3

15

0

23

0

342

compound.1b

-5.39

-0.030513737

-4.380338897

39.90189

30.1515879

8.903702184

25.05991857

5.907179729

11.93861058

23.97268592

9.589074368

0.0

96.97325991

57.02581792

120.0531461

33.13825605

null

-5.39

null

2

CCC[C@H](C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C

146.9210775

41.47450922

1.431199657

25.3193559

23.57583074

149.0680945

27.42434039

47.40072131

0

0.0

null

['meA', 'Mono67', 'd(N->O)aIle', 'dA', 'Me_dF', 'Sar', 'I']

[0.1353999999999999, 2.9699000000000018, 1.2464, -0.2068000000000003, 1.3581999999999996, -0.2531000000000001, 0.8193999999999999]

[20.31, 46.53, 26.3, 29.1, 20.31, 20.31, 29.1]

10.61962671

0.0

132.4502106

49.4084111

23.57583074

201.9000961

41.83726981

2.823684157

0.0

0

2018_Kaneda

2283

null

191.96

null

644.4367262

0.0

104.3093349

-1.630818882

-6.615637161

-58.89343427

-42.40665676

-57.81995547

-83.12955859

0.0

1.0

2018

null

0

1

0

7

0

3

2

0

3

0

5

0

1

0

2

0

2

0

0.305680563

null

da611b4cd1f2c92bd637c57551583eb5c4371ce0141720be4893289c70c4ef14

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,283

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Me_dA', 'Mono67', 'd(N->O)aIle', 'A', 'Me_dF', 'Sar', 'I']

60

2284

-4.87

Circle

1

-2.34e-16

-2.763591859

-1.97e-16

-2.85359853

-1.1e-16

-1.14840288

2.32e-16

-0.249287485

4.885779859

4714.853408

152.0

null

109.1683257

102.3185509

29.31855088

57.48532819

50.90905359

14.60637811

9.778242338

5.906578388

3.216340757

null

314.2628521

21.97322042

33.56176029

0

14.5825341

78.23476232

855.5357435

0.93442623

1.704918033

2.327868852

0.673913043

147.0

PEPTIDE2284{[Me_dA].[Mono67].[d(N->O)aIle].A.[Me_dF].[Sar].I}$PEPTIDE2284,PEPTIDE2284,1:R1-7:R2$$$

PEPTIDE2284{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Mono67/">[Mono67]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/I/">I</a>}$PEPTIDE2284,PEPTIDE2284,1:R1-7:R2$$$

-4.79

61

782.531

2284

null

2.93e+44

10.10556039

24.60127075

14.67441202

465.6304878

null

16.40448728

0.460180898

16.40448728

0.333684054

1.870073473

0.333684054

-7.401487828

-0.460180898

4.0499

232.3952

856.115

Circle

7

null

3

15

null

0

1

0

1

10

3

15

0

23

0

342

compound.1e

-4.87

-0.030513737

-4.380338897

39.90189

30.1515879

8.903702184

25.05991857

5.907179729

11.93861058

23.97268592

9.589074368

0.0

96.97325991

57.02581792

120.0531461

33.13825605

null

-4.87

null

2

CCC[C@H](C)[C@H]1OC(=O)[C@@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C

146.9210775

41.47450922

1.431199657

25.3193559

23.57583074

149.0680945

27.42434039

47.40072131

0

0.0

null

['Me_dA', 'Mono67', 'd(N->O)aIle', 'A', 'Me_dF', 'Sar', 'I']

[0.1353999999999999, 2.9699000000000018, 1.2464, -0.2068000000000003, 1.3581999999999996, -0.2531000000000001, 0.8193999999999999]

[20.31, 46.53, 26.3, 29.1, 20.31, 20.31, 29.1]

10.61962671

0.0

132.4502106

49.4084111

23.57583074

201.9000961

41.83726981

2.823684157

0.0

0

2018_Kaneda

2284

null

191.96

null

644.4367262

0.0

104.3093349

-1.630818882

-6.615637161

-58.89343427

-42.40665676

-57.81995547

-83.12955859

0.0

1.0

2018

null

0

1

0

7

0

3

2

0

3

0

5

0

1

0

2

0

2

0

0.305680563

null

a6e73f6fb1fc4729fbb40f782029b45fe1dc81ba608cc0377a32093d9a6a34b8

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,285

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Mono69', 'd(N->O)aIle', 'A', 'Me_dF', 'Sar', 'I']

58

2286

-6.09

Circle

3

-2.36e-16

-2.771711153

-2.31e-16

-2.853140771

-3.9e-17

-1.149964541

7.27e-16

-0.249287486

4.957292791

4824.325422

132.0

null

111.6683257

104.8185509

29.81855088

58.6317748

52.20492945

14.81050226

9.88030441

6.008640461

3.292887311

null

321.3008045

23.34397898

33.56176029

0

14.21058886

79.54507978

869.5513936

0.935483871

1.725806452

2.35483871

0.680851064

129.0

PEPTIDE2286{[meA].[Mono69].[d(N->O)aIle].A.[Me_dF].[Sar].I}$PEPTIDE2286,PEPTIDE2286,1:R1-7:R2$$$

PEPTIDE2286{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono69/">[Mono69]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/I/">I</a>}$PEPTIDE2286,PEPTIDE2286,1:R1-7:R2$$$

-4.79

62

794.542

2286

null

1.54e+46

10.18651108

25.35127365

14.65758835

475.0380122

null

16.49207693

0.460134391

16.49207693

0.333684788

1.865459705

0.333684788

-7.528727961

-0.460134391

4.704

237.1854

870.142

Circle

7

null

2

15

null

0

1

0

1

10

2

15

0

26

0

348

compound.13

-6.09

-0.051600505

-5.285817114

39.52994476

30.1515879

8.903702184

23.62871892

5.907179729

11.93861058

23.97268592

9.589074368

0.0

96.97325991

50.65289302

133.4640235

37.25053172

null

-6.09

null

2

CCC[C@H](C)[C@@H](OC)[C@@H](C)[C@@H]1C/C=C(\C)C(=O)O[C@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N(C)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](C)C(=O)O1

150.6614079

41.47450922

0.0

25.3193559

23.57583074

149.0680945

34.46229284

47.40072131

0

0.0

null

['meA', 'Mono69', 'd(N->O)aIle', 'A', 'Me_dF', 'Sar', 'I']

[0.1353999999999999, 3.6240000000000014, 1.2464, -0.2068000000000003, 1.3581999999999996, -0.2531000000000001, 0.8193999999999999]

[20.31, 35.53, 26.3, 29.1, 20.31, 20.31, 29.1]

10.61962671

0.0

132.9481552

54.14527405

23.57583074

206.0123718

41.83726981

2.823684157

0.0

0

2018_Kaneda

2286

null

180.96

null

666.9600309

0.0

104.9624069

-5.489987413

-6.83481672

-59.39373987

-42.78933217

-58.67058984

-83.61527637

-5.628695468

1.0

2018

null

0

7

0

3

2

0

3

0

5

0

1

0

2

3

0

2

1

0

0.279745211

null

9d80ae57e866f0a3eff9d557b270192ce03074fc414dd98cefaa8506fba4b22e

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,286

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Mono67', 'd(N->O)aIle', 'A', 'Me_dF', 'G', 'I']

56

2287

-4.91

Circle

2

-1.87e-16

-2.763579862

-1.93e-16

-2.859465708

-5.69e-17

-1.148396093

4.01e-16

-0.249287481

4.787378863

4605.725161

157.0

null

106.6683257

99.81855088

28.81855088

56.27400333

49.63266039

14.38277132

9.55463554

5.749131443

3.115568134

null

307.6969288

20.56137834

33.56176029

0

14.5825341

76.94617081

841.5200935

0.95

1.716666667

2.35

0.666666667

159.0

PEPTIDE2287{[meA].[Mono67].[d(N->O)aIle].A.[Me_dF].G.I}$PEPTIDE2287,PEPTIDE2287,1:R1-7:R2$$$

PEPTIDE2287{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono67/">[Mono67]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/I/">I</a>}$PEPTIDE2287,PEPTIDE2287,1:R1-7:R2$$$

-4.79

60

770.52

2287

null

1.02e+43

10.02614674

24.46278501

14.44370205

456.3036899

null

16.27181945

0.460180898

16.27181945

0.333684054

1.81636977

0.333684054

-7.360961447

-0.460180898

3.7077

227.7679

842.088

Circle

7

null

4

15

null

0

1

0

1

10

4

15

0

22

0

336

compound.15

-4.91

0.032296857

-4.498361643

40.31179362

30.1515879

10.31554426

25.05991857

5.907179729

11.93861058

23.97268592

9.589074368

0.0

96.97325991

57.02581792

108.9650435

33.13825605

null

-4.91

null

2

CCC[C@H](C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C

144.2206439

41.47450922

1.431199657

25.72925952

23.57583074

149.0680945

20.44851348

47.40072131

0

0.0

null

['meA', 'Mono67', 'd(N->O)aIle', 'A', 'Me_dF', 'G', 'I']

[0.1353999999999999, 2.9699000000000018, 1.2464, -0.2068000000000003, 1.3581999999999996, -0.5953000000000002, 0.8193999999999999]

[20.31, 46.53, 26.3, 29.1, 20.31, 29.1, 29.1]

15.92944006

0.0

120.574474

49.4084111

23.57583074

197.7878204

41.83726981

4.235526235

0.0

0

2018_Kaneda

2287

null

200.75

null

624.8095814

0.0

105.7207188

-3.980293458

-6.486891136

-57.9910622

-41.5319719

-57.32434038

-76.21574106

0.0

1.0

2018

null

0

1

0

7

0

2

3

0

2

0

5

0

1

0

2

0

2

0

0.265973309

null

0e5d953255a757fd9311b09cfb0e78f2b30c45ce5bbfd69a9d79f99a2c0934fd

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,287

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meA', 'Mono67', 'd(N->O)aIle', 'A', 'dF', 'Sar', 'I']

55

2288

-5.42

Circle

3

-1.88e-16

-2.763590675

-1.57e-16

-2.859110172

-9.11e-17

-1.148397541

5.75e-16

-0.249287482

4.791365348

4605.725161

159.0

null

106.6683257

99.81855088

28.81855088

56.27400333

49.63266039

14.38277132

9.55463554

5.693229743

3.087617284

null

307.6969288

19.19061979

33.56176029

0

14.5825341

78.31692937

841.5200935

0.95

1.733333333

2.366666667

0.666666667

162.0

PEPTIDE2288{[meA].[Mono67].[d(N->O)aIle].A.[dF].[Sar].I}$PEPTIDE2288,PEPTIDE2288,1:R1-7:R2$$$

PEPTIDE2288{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono67/">[Mono67]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/I/">I</a>}$PEPTIDE2288,PEPTIDE2288,1:R1-7:R2$$$

-4.79

60

770.52

2288

null

3.61e+43

10.02614674

24.46278501

14.73634383

456.3036899

null

16.33182887

0.460180898

16.33182887

0.333684054

1.805210433

0.333684054

-7.374209182

-0.460180898

3.7077

227.7679

842.088

Circle

7

null

4

15

null

0

1

0

1

10

4

15

0

22

0

336

compound.16

-5.42

0.028941185

-4.507909887

40.31179362

30.1515879

10.31554426

25.05991857

5.907179729

11.93861058

23.97268592

9.589074368

0.0

96.97325991

57.02581792

108.9650435

33.13825605

null

-5.42

null

2

CCC[C@H](C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C

144.2206439

41.47450922

1.431199657

25.72925952

23.57583074

149.0680945

20.44851348

47.40072131

0

0.0

null

['meA', 'Mono67', 'd(N->O)aIle', 'A', 'dF', 'Sar', 'I']

[0.1353999999999999, 2.9699000000000018, 1.2464, -0.2068000000000003, 1.0159999999999998, -0.2531000000000001, 0.8193999999999999]

[20.31, 46.53, 26.3, 29.1, 29.1, 20.31, 29.1]

15.92944006

0.0

120.574474

49.4084111

23.57583074

197.7878204

41.83726981

4.235526235

0.0

0

2018_Kaneda

2288

null

200.75

null

624.6227113

0.0

105.6811915

-3.95481714

-6.442714755

-58.0212456

-41.33525888

-57.24739342

-76.30247305

0.0

1.0

2018

null

0

1

0

7

0

2

3

0

2

0

5

0

1

0

2

0

2

0

0.265973309

null

a3cd6e76880e8c9ee58c69eb9d4ed5c570550256d47bc39d94023653e50edde8

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,288

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'N', 'S', 'Y', 'F']

25

2289

-5.52

Circle

8

4.12e-17

-2.672530922

1.71e-16

-2.879500941

4.21e-16

-1.086949095

10.40529954

-0.18972768

3.207556987

3118.332352

261.0

null

69.34797029

62.89648149

21.89648149

38.57387359

31.15769368

11.31627473

7.300955986

4.289802523

2.53625937

null

226.072619

19.18438426

19.17814874

0

10.21761638

47.09642481

639.3016613

0.782608696

1.326086957

1.934782609

0.419354839

263.0

PEPTIDE2289{K.N.S.Y.F}$PEPTIDE2289,PEPTIDE2289,1:R1-5:R2$$$

PEPTIDE2289{<a href="/monomers/K/">K</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2289,PEPTIDE2289,1:R1-5:R2$$$

-5.02

46

598.382

2289

null

1.93e+18

9.287648976

17.46292235

10.85245693

323.7028995

null

15.61625986

0.507966645

15.61625986

0.29309207

1.413880455

0.29309207

-6.224295312

-0.507966645

-2.3883

165.4129

639.71

Circle

5

null

11

15

null

0

1

2

0

2

9

15

0

14

0

1

248

LB51

-5.52

4.739009334

3.730096843

48.2061171

38.66265833

9.882894548

36.87427803

1.431199657

0.0

28.7672231

0.0

42.29693095

48.82737479

31.93646959

34.86404704

null

-5.52

null

3

NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O

92.81417488

35.44307838

2.862399314

26.54906677

11.43943395

68.32701175

13.05584493

65.50867135

0

5.749511833

[['PAMPA', 'Caco2']]

[1891]

[['-5.53', '-5.49']]

['2018_Buckton']

['K', 'N', 'S', 'Y', 'F']

[0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998]

[41.13, 72.19, 49.33, 49.33, 29.1]

37.98850072

0.0

5.749511833

0.0

91.66840134

41.51307291

0.0

77.74135927

54.38176837

12.7065787

0.0

0

2018_Lee

1891

null

255.07

null

348.3336981

0.0

89.92073059

-2.90550853

-7.611179849

-23.84446074

-46.6213501

-33.00359957

-10.01832994

0.0

1.0

2018

null

0

1

0

1

0

6

0

5

2

0

6

0

2

0

1

0

1

0

0.118756993

null

609dcacfbef2a730eb6aa9088059d79ee92604628a33d774dc76d24742c1f2cf

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,289

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'meN', 'S', 'Y', 'F']

27

2290

-5.27

Circle

9

-2.23e-17

-2.681057122

1.76e-16

-2.876145583

3.18e-16

-1.086997666

10.28862083

-0.243766674

3.301342635

3222.138953

240.0

null

71.84797029

65.39648149

22.39648149

39.78519845

32.43408688

11.53988153

7.524562784

4.503151168

2.664982843

null

232.6385422

15.76060563

23.97268592

0

10.21761638

48.42609985

653.3173113

0.914893617

1.531914894

2.127659574

0.4375

243.0

PEPTIDE2290{K.[meN].S.Y.F}$PEPTIDE2290,PEPTIDE2290,1:R1-5:R2$$$

PEPTIDE2290{<a href="/monomers/K/">K</a>.<a href="/monomers/meN/">[meN]</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2290,PEPTIDE2290,1:R1-5:R2$$$

-5.02

47

610.393

2290

null

1.32e+22

9.318532747

17.61500187

10.78591629

333.0296974

null

15.78654047

0.507966645

15.78654047

0.29309207

1.457584158

0.29309207

-6.439920312

-0.507966645

-2.0461

170.0402

653.737

Circle

5

null

10

15

null

0

1

2

0

2

9

8

15

0

15

0

1

254

Compound.9

-5.27

4.542040794

2.909457634

47.79621348

38.66265833

8.47105247

36.87427803

1.431199657

0.0

28.7672231

0.0

42.29693095

48.82737479

43.02457216

34.86404704

null

-5.27

null

3

CN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]1CC(N)=O

95.51460847

35.44307838

2.862399314

26.13916314

11.43943395

68.32701175

20.03167183

65.50867135

0

5.749511833

null

['K', 'meN', 'S', 'Y', 'F']

[0.1629999999999996, -1.0090999999999994, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998]

[41.13, 63.4, 49.33, 49.33, 29.1]

32.67868736

0.0

5.749511833

0.0

103.544138

41.51307291

0.0

81.85363494

54.38176837

11.29473663

0.0

0

2018_Lee

2290

null

246.28

null

367.1375082

0.0

89.07060434

-1.01309774

-7.826546768

-24.6048467

-47.73855953

-33.74217072

-15.78289105

0.0

1.0

2018

null

0

1

0

1

0

6

0

1

4

2

0

1

0

6

0

2

0

1

0

1

0

0.124274655

null

b0d7849dceaa66ba2a57af0409aacd93b7fdff15de2b5814890406a70bbf8ee1

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,290

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['meK', 'N', 'S', 'Y', 'F']

27

2291

-5.22

Circle

7

-3.28e-17

-2.689995987

1.97e-16

-2.879279991

2.32e-16

-1.088096151

10.28119874

-0.243765543

3.319104721

3222.138953

244.0

null

71.84797029

65.39648149

22.39648149

39.78519845

32.43408688

11.53988153

7.524562784

4.503151168

2.664982843

null

232.6385422

15.80168916

23.97268592

0

10.21761638

48.38501632

653.3173113

0.914893617

1.553191489

2.234042553

0.4375

245.0

PEPTIDE2291{[meK].N.S.Y.F}$PEPTIDE2291,PEPTIDE2291,1:R1-5:R2$$$

PEPTIDE2291{<a href="/monomers/meK/">[meK]</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2291,PEPTIDE2291,1:R1-5:R2$$$

-5.02

47

610.393

2291

null

1.4e+22

9.318532747

17.61500187

10.78591629

333.0296974

null

16.09063486

0.507966645

16.09063486

0.29309207

1.466397816

0.29309207

-6.510753646

-0.507966645

-2.0461

170.0402

653.737

Circle

5

null

10

15

null

0

1

2

0

2

9

8

15

0

15

0

1

254

Compound.10

-5.22

4.408872154

2.898851775

47.79621348

38.66265833

8.47105247

36.87427803

1.431199657

0.0

28.7672231

0.0

42.29693095

48.82737479

43.02457216

34.86404704

null

-5.22

null

3

CN1C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCN

95.51460847

35.44307838

2.862399314

26.13916314

11.43943395

68.32701175

20.03167183

65.50867135

0

5.749511833

null

['meK', 'N', 'S', 'Y', 'F']

[0.2444999999999998, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.0159999999999998]

[46.33, 72.19, 49.33, 49.33, 29.1]

32.67868736

0.0

5.749511833

0.0

103.544138

41.51307291

0.0

81.85363494

54.38176837

11.29473663

0.0

0

2018_Lee

2291

null

246.28

null

367.5995339

0.0

88.9268646

-0.99283219

-7.861019584

-24.5497501

-47.92437618

-33.84919552

-15.84922491

0.0

1.0

2018

null

0

1

0

1

0

6

0

1

4

2

0

1

0

6

0

2

0

1

0

1

0

0.124274655

null

021bbcb5ce8a6aa8f9821752d63ddee6e13640dca9e65aa0b211f06ff9081818

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,291

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'N', 'S', 'Y', 'meF']

27

2292

-5.29

Circle

3

1.3e-18

-2.676507275

1.56e-16

-2.878737959

3.42e-16

-1.086950142

10.28889006

-0.243766554

3.320156646

3222.138953

248.0

null

71.84797029

65.39648149

22.39648149

39.78519845

32.43408688

11.53988153

7.524562784

4.503151168

2.664982843

null

232.6385422

14.38984708

23.97268592

0

10.21761638

49.7968584

653.3173113

0.914893617

1.574468085

2.255319149

0.4375

248.0

PEPTIDE2292{K.N.S.Y.[meF]}$PEPTIDE2292,PEPTIDE2292,1:R1-5:R2$$$

PEPTIDE2292{<a href="/monomers/K/">K</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2292,PEPTIDE2292,1:R1-5:R2$$$

-5.02

47

610.393

2292

null

8.94e+21

9.318532747

17.61500187

10.78591629

333.0296974

null

16.0476285

0.507966645

16.0476285

0.29309207

1.445388719

0.29309207

-6.349720482

-0.507966645

-2.0461

170.0402

653.737

Circle

5

null

10

15

null

0

1

2

0

2

9

8

15

0

15

0

1

254

Compound.11

-5.29

4.547906483

2.895591607

47.79621348

38.66265833

8.47105247

36.87427803

1.431199657

0.0

28.7672231

0.0

42.29693095

48.82737479

43.02457216

34.86404704

null

-5.29

null

3

CN1C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1Cc1ccccc1

95.51460847

35.44307838

2.862399314

26.13916314

11.43943395

68.32701175

20.03167183

65.50867135

0

5.749511833

null

['K', 'N', 'S', 'Y', 'meF']

[0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 0.7215999999999996, 1.3581999999999996]

[41.13, 72.19, 49.33, 49.33, 20.31]

32.67868736

0.0

5.749511833

0.0

103.544138

41.51307291

0.0

81.85363494

54.38176837

11.29473663

0.0

0

2018_Lee

2292

null

246.28

null

367.5733273

0.0

89.05144684

-1.15953179

-7.897593629

-24.54391355

-48.12760955

-33.68294926

-15.71317639

0.0

1.0

2018

null

0

1

0

1

0

6

0

1

4

2

0

1

0

6

0

2

0

1

0

1

0

0.124274655

null

7d332182ce86c5ebc4e0e60c7ec94a24a02a40c982b9ac99f1a164b4c989c9b5

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,292

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'N', 'S', 'meY', 'F']

27

2293

-5.28

Circle

2

-3.47e-17

-2.672709693

1.63e-16

-2.874617618

4.69e-16

-1.086949319

10.2870044

-0.243766576

3.305024756

3222.138953

235.0

null

71.84797029

65.39648149

22.39648149

39.78519845

32.43408688

11.53988153

7.524562784

4.503151168

2.664982843

null

232.6385422

15.80168916

23.97268592

0

10.21761638

48.38501632

653.3173113

0.914893617

1.574468085

2.255319149

0.4375

228.0

PEPTIDE2293{K.N.S.[meY].F}$PEPTIDE2293,PEPTIDE2293,1:R1-5:R2$$$

PEPTIDE2293{<a href="/monomers/K/">K</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2293,PEPTIDE2293,1:R1-5:R2$$$

-5.02

47

610.393

2293

null

7.56e+21

9.318532747

17.61500187

10.78591629

333.0296974

null

15.88992017

0.507966645

15.88992017

0.29309207

1.434747801

0.29309207

-6.290499016

-0.507966645

-2.0461

170.0402

653.737

Circle

5

null

10

15

null

0

1

2

0

2

9

8

15

0

15

0

1

254

Compound.12

-5.28

4.666038719

2.918146652

47.79621348

38.66265833

8.47105247

36.87427803

1.431199657

0.0

28.7672231

0.0

42.29693095

48.82737479

43.02457216

34.86404704

null

-5.28

null

3

CN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1

95.51460847

35.44307838

2.862399314

26.13916314

11.43943395

68.32701175

20.03167183

65.50867135

0

5.749511833

null

['K', 'N', 'S', 'meY', 'F']

[0.1629999999999996, -1.3512999999999995, -1.2344000000000002, 1.0637999999999996, 1.0159999999999998]

[41.13, 72.19, 49.33, 40.540000000000006, 29.1]

32.67868736

0.0

5.749511833

0.0

103.544138

41.51307291

0.0

81.85363494

54.38176837

11.29473663

0.0

0

2018_Lee

2293

null

246.28

null

367.2266788

0.0

89.13029858

-1.200821362

-7.861568179

-24.57032388

-48.00973102

-33.5419052

-15.67262773

0.0

1.0

2018

null

0

1

0

1

0

6

0

1

4

2

0

1

0

6

0

2

0

1

0

1

0

0.124274655

null

7870231b82b22d42c08162dbefc07d31251180613a34e95f1b91e4c1579338ab

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,293

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['K', 'N', 'meS', 'Y', 'F']

27

2294

-5.32

Circle

4

2.29e-17

-2.673493799

9.83e-17

-2.870558226

4.96e-16

-1.086949891

10.2756563

-0.243766261

3.294164606

3222.138953

243.0

null

71.84797029

65.39648149

22.39648149

39.78519845

32.43408688

11.53988153

7.524562784

4.503151168

2.659853766

null

232.6385422

17.13136419

23.97268592

0

10.21761638

47.05534129

653.3173113

0.914893617

1.531914894

2.14893617

0.4375

244.0

PEPTIDE2294{K.N.[meS].Y.F}$PEPTIDE2294,PEPTIDE2294,1:R1-5:R2$$$

PEPTIDE2294{<a href="/monomers/K/">K</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/meS/">[meS]</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2294,PEPTIDE2294,1:R1-5:R2$$$

-5.02

47

610.393

2294

null

8.03e+21

9.318532747

17.61500187

10.78591629

333.0296974

null

15.70592133

0.507966645

15.70592133

0.29309207

1.441093226

0.29309207

-6.32354595

-0.507966645

-2.0461

170.0402

653.737

Circle

5

null

10

15

null

0

1

2

0

2

9

8

15

0

15

0

1

254

Compound.13

-5.32

4.693928788

2.940657566

47.79621348

38.66265833

8.47105247

36.87427803

1.431199657

0.0

28.7672231

0.0

42.29693095

48.82737479

43.02457216

34.86404704

null

-5.32

null

3

CN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1CO

95.51460847

35.44307838

2.862399314

26.13916314

11.43943395

68.32701175

20.03167183

65.50867135

0

5.749511833

null

['K', 'N', 'meS', 'Y', 'F']

[0.1629999999999996, -1.3512999999999995, -0.8922000000000003, 0.7215999999999996, 1.0159999999999998]

[41.13, 72.19, 40.540000000000006, 49.33, 29.1]

32.67868736

0.0

5.749511833

0.0

103.544138

41.51307291

0.0

81.85363494

54.38176837

11.29473663

0.0

0

2018_Lee

2294

null

246.28

null

366.8738905

0.0

89.14450528

-1.121046009

-7.805802757

-24.59012481

-47.76124338

-33.52279946

-15.7173794

0.0

1.0

2018

null

0

1

0

1

0

6

0

1

4

2

0

1

0

6

0

2

0

1

0

1

0

0.124274655

null

6f5822c636edf25d3e40f381d8276888783bdbc08449e5a8ad34ebf21586dd68

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,294

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dP', 'dL', 'dL', 'dL', 'L', 'Y']

34

2295

-6.44

Circle

2

-1.73e-16

-2.716331908

-1.07e-16

-2.894699619

-1.19e-16

-1.135790753

4.87e-16

-0.24928777

3.601681759

3800.979834

168.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

20.76679595

28.7672231

0

5.108808191

61.74457613

712.4523483

0.745098039

1.137254902

1.529411765

0.684210526

169.0

PEPTIDE2295{[dP].[dL].[dL].[dL].L.Y}$PEPTIDE2295,PEPTIDE2295,1:R1-6:R2$$$

PEPTIDE2295{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2295,PEPTIDE2295,1:R1-6:R2$$$

-4.16

51

652.453

2295

null

1.36e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.39634806

0.507966645

16.39634806

0.29309207

1.750209516

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

WH-4.8(1)

null

2.382597092

-1.299474692

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-6.44

null

-6.44

null

3

CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['Caco2'], ['PAMPA']]

[1007, 2386]

[['-6.64'], ['-5.64']]

['2015_Hewitt', '2019_Ono']

['dP', 'dL', 'dL', 'dL', 'L', 'Y']

[0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996]

[20.31, 29.1, 29.1, 29.1, 29.1, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

1007

null

186.04

null

521.2544956

0.0

94.680909

-9.345467517

-2.683560143

-52.34134458

-49.12582522

-43.08511177

-49.35409542

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

954363693c79433cc1d6eec68fd7ea39e012d5dd183c69a970fbb36e55046cf5

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,295

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dP', 'dL', 'dL', 'dL', 'dL', 'Y']

35

2296

-6.31

Circle

4

-1.73e-16

-2.716331908

-1.07e-16

-2.894699619

-1.19e-16

-1.135790753

4.87e-16

-0.24928777

3.601681759

3800.979834

158.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

20.76679595

28.7672231

0

5.108808191

61.74457613

712.4523483

0.745098039

1.137254902

1.529411765

0.684210526

173.0

PEPTIDE2296{[dP].[dL].[dL].[dL].[dL].Y}$PEPTIDE2296,PEPTIDE2296,1:R1-6:R2$$$

PEPTIDE2296{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2296,PEPTIDE2296,1:R1-6:R2$$$

-4.16

51

652.453

2296

null

1.36e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.39634806

0.507966645

16.39634806

0.29309207

1.750209516

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

WH-4.5(2)

null

2.382597092

-1.299474692

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-6.31

null

-6.31

null

3

CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['Caco2'], ['PAMPA']]

[1004, 2387]

[['-7.35'], ['-5.54']]

['2015_Hewitt', '2019_Ono']

['dP', 'dL', 'dL', 'dL', 'dL', 'Y']

[0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996]

[20.31, 29.1, 29.1, 29.1, 29.1, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

1004

null

186.04

null

521.2544956

0.0

94.680909

-9.345467517

-2.683560143

-52.34134458

-49.12582522

-43.08511177

-49.35409542

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

470623e3907964461c27994d881d86bcf304775169426eae223c887b1911b8c7

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,296

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dP', 'dL', 'L', 'dL', 'L', 'Y']

33

2297

-6.08

Circle

1

-1.73e-16

-2.716331908

-1.07e-16

-2.894699619

-1.19e-16

-1.135790753

4.87e-16

-0.24928777

3.601681759

3800.979834

151.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

20.76679595

28.7672231

0

5.108808191

61.74457613

712.4523483

0.745098039

1.137254902

1.529411765

0.684210526

150.0

PEPTIDE2297{[dP].[dL].L.[dL].L.Y}$PEPTIDE2297,PEPTIDE2297,1:R1-6:R2$$$

PEPTIDE2297{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2297,PEPTIDE2297,1:R1-6:R2$$$

-4.16

51

652.453

2297

null

1.36e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.39634806

0.507966645

16.39634806

0.29309207

1.750209516

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

WH-4.3(3)

null

2.382597092

-1.299474692

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-6.08

null

-6.08

null

3

CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['Caco2'], ['PAMPA']]

[1002, 2388]

[['-6.84'], ['-5.77']]

['2015_Hewitt', '2019_Ono']

['dP', 'dL', 'L', 'dL', 'L', 'Y']

[0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996]

[20.31, 29.1, 29.1, 29.1, 29.1, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

1002

null

186.04

null

521.2544956

0.0

94.680909

-9.345467517

-2.683560143

-52.34134458

-49.12582522

-43.08511177

-49.35409542

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

54668032dd2dca0819d0061fa3e658a6151c1c34726492fdbee742e3a6b12820

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,297

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dP', 'dL', 'L', 'dL', 'dL', 'Y']

34

2298

-5.71

Circle

1

-2.44e-16

-2.716331908

-1.7e-16

-2.894699619

-9.86e-17

-1.135790753

2.76e-16

-0.24928777

3.601681759

3800.979834

175.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

20.76679595

28.7672231

0

5.108808191

61.74457613

712.4523483

0.745098039

1.137254902

1.529411765

0.684210526

174.0

PEPTIDE2298{[dP].[dL].L.[dL].[dL].Y}$PEPTIDE2298,PEPTIDE2298,1:R1-6:R2$$$

PEPTIDE2298{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2298,PEPTIDE2298,1:R1-6:R2$$$

-4.16

51

652.453

2298

null

5.85e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.39634806

0.507966645

16.39634806

0.29309207

1.750209516

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

WH-4.6(4)

null

2.382597092

-1.299474692

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-5.71

null

-5.71

null

3

CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['Caco2'], ['PAMPA']]

[1005, 2389]

[['-6.32'], ['-5.31']]

['2015_Hewitt', '2019_Ono']

['dP', 'dL', 'L', 'dL', 'dL', 'Y']

[0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996]

[20.31, 29.1, 29.1, 29.1, 29.1, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

1005

null

186.04

null

521.2544956

0.0

94.680909

-9.345467517

-2.683560143

-52.34134458

-49.12582522

-43.08511177

-49.35409542

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

92fa90f13bf8feec12b8121aa6c0521da0839dec90eaffe356ce473edfe17537

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,298

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dP', 'dL', 'dL', 'L', 'L', 'Y']

33

2299

-6.02

Circle

3

-1.73e-16

-2.716331908

-1.07e-16

-2.894699619

-1.19e-16

-1.135790753

4.87e-16

-0.24928777

3.601681759

3800.979834

172.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

20.76679595

28.7672231

0

5.108808191

61.74457613

712.4523483

0.745098039

1.137254902

1.529411765

0.684210526

172.0

PEPTIDE2299{[dP].[dL].[dL].L.L.Y}$PEPTIDE2299,PEPTIDE2299,1:R1-6:R2$$$

PEPTIDE2299{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2299,PEPTIDE2299,1:R1-6:R2$$$

-4.16

51

652.453

2299

null

1.36e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.39634806

0.507966645

16.39634806

0.29309207

1.750209516

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

WH-4.1(5)

null

2.382597092

-1.299474692

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-6.02

null

-6.02

null

3

CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['Caco2'], ['PAMPA']]

[1000, 2390]

[['-6.59'], ['-5.78']]

['2015_Hewitt', '2019_Ono']

['dP', 'dL', 'dL', 'L', 'L', 'Y']

[0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996]

[20.31, 29.1, 29.1, 29.1, 29.1, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

1000

null

186.04

null

521.2544956

0.0

94.680909

-9.345467517

-2.683560143

-52.34134458

-49.12582522

-43.08511177

-49.35409542

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

3cf228e4de83172004b0513ea52b414598ac38ec9df54e7ebf806038dd8ef445

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,299

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dP', 'dL', 'L', 'L', 'L', 'Y']

32

2300

-5.55

Circle

5

-1.71e-16

-2.716331908

-2.14e-16

-2.894699619

-1.58e-16

-1.135790753

4.52e-16

-0.24928777

3.601681759

3800.979834

147.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

20.76679595

28.7672231

0

5.108808191

61.74457613

712.4523483

0.745098039

1.137254902

1.529411765

0.684210526

146.0

PEPTIDE2300{[dP].[dL].L.L.L.Y}$PEPTIDE2300,PEPTIDE2300,1:R1-6:R2$$$

PEPTIDE2300{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2300,PEPTIDE2300,1:R1-6:R2$$$

-4.16

51

652.453

2300

null

5.730000000000001e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.39634806

0.507966645

16.39634806

0.29309207

1.750209516

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

WH-4.2(6)

null

2.382597092

-1.299474692

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-5.55

null

-5.55

null

3

CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['Caco2'], ['PAMPA']]

[1001, 2391]

[['-6.37'], ['-5.59']]

['2015_Hewitt', '2019_Ono']

['dP', 'dL', 'L', 'L', 'L', 'Y']

[0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996]

[20.31, 29.1, 29.1, 29.1, 29.1, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

1001

null

186.04

null

521.2544956

0.0

94.680909

-9.345467517

-2.683560143

-52.34134458

-49.12582522

-43.08511177

-49.35409542

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

6d527164539cb52ca3a9a09c4e09bf0fb2cfbaabddf116138fe383e87ca10577

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,300

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dP', 'dL', 'dL', 'L', 'dL', 'Y']

34

2301

-5.39

Circle

9

-1.71e-16

-2.716331908

-2.14e-16

-2.894699619

-1.58e-16

-1.135790753

4.52e-16

-0.24928777

3.601681759

3800.979834

169.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

20.76679595

28.7672231

0

5.108808191

61.74457613

712.4523483

0.745098039

1.137254902

1.529411765

0.684210526

168.0

PEPTIDE2301{[dP].[dL].[dL].L.[dL].Y}$PEPTIDE2301,PEPTIDE2301,1:R1-6:R2$$$

PEPTIDE2301{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2301,PEPTIDE2301,1:R1-6:R2$$$

-4.16

51

652.453

2301

null

5.730000000000001e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.39634806

0.507966645

16.39634806

0.29309207

1.750209516

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

WH-4.4(7)

null

2.382597092

-1.299474692

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-5.39

null

-5.39

null

3

CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['Caco2'], ['PAMPA']]

[1003, 2392]

[['-5.10'], ['-5.14']]

['2015_Hewitt', '2019_Ono']

['dP', 'dL', 'dL', 'L', 'dL', 'Y']

[0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996]

[20.31, 29.1, 29.1, 29.1, 29.1, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

1003

null

186.04

null

521.2544956

0.0

94.680909

-9.345467517

-2.683560143

-52.34134458

-49.12582522

-43.08511177

-49.35409542

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

eb325675e6c37c3e1740ff11e5b5858b0d3cdbcc5c7fd5cd19df02468e336e54

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,301

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['dP', 'dL', 'L', 'L', 'dL', 'Y']

33

2302

-4.71

Circle

2

-1.71e-16

-2.716331908

-2.14e-16

-2.894699619

-1.58e-16

-1.135790753

4.52e-16

-0.24928777

3.601681759

3800.979834

137.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

20.76679595

28.7672231

0

5.108808191

61.74457613

712.4523483

0.745098039

1.137254902

1.529411765

0.684210526

139.0

PEPTIDE2302{[dP].[dL].L.L.[dL].Y}$PEPTIDE2302,PEPTIDE2302,1:R1-6:R2$$$

PEPTIDE2302{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2302,PEPTIDE2302,1:R1-6:R2$$$

-4.16

51

652.453

2302

null

5.730000000000001e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.39634806

0.507966645

16.39634806

0.29309207

1.750209516

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

WH-4.7(8)

null

2.382597092

-1.299474692

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-4.71

null

-4.71

null

3

CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['Caco2'], ['PAMPA']]

[1006, 2393]

[['-5.44'], ['-5.11']]

['2015_Hewitt', '2019_Ono']

['dP', 'dL', 'L', 'L', 'dL', 'Y']

[0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996]

[20.31, 29.1, 29.1, 29.1, 29.1, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

1006

null

186.04

null

521.2544956

0.0

94.680909

-9.345467517

-2.683560143

-52.34134458

-49.12582522

-43.08511177

-49.35409542

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

c38cb486885b317f9ae148a4d5256694e4f920865027ac736f7a3079d68d8b70

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,302

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dA', 'meA', 'L', 'dP', 'meA']

39

2303

-5.31

Circle

9

-2.33e-16

-2.702044926

-1.89e-16

-2.863709712

-6.39e-17

-1.134710569

3.5e-16

-0.249287762

4.36764339

2877.643354

102.0

null

74.42820323

69.63277132

19.63277132

38.73760431

34.69688083

9.802453635

6.849607156

4.184354338

2.375731327

null

214.436899

4.112275669

28.7672231

0

0.0

64.50781918

578.3791833

0.804878049

1.292682927

1.780487805

0.793103448

110.0

PEPTIDE2303{L.[Me_dA].[meA].L.[dP].[meA]}$PEPTIDE2303,PEPTIDE2303,1:R1-6:R2$$$

PEPTIDE2303{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>}$PEPTIDE2303,PEPTIDE2303,1:R1-6:R2$$$

-3.18

41

528.355

2303

null

3.41e+22

6.499314535

14.1311912

7.974544943

314.4187978

null

15.78238237

0.342505863

15.78238237

0.245339745

2.171094884

0.245339745

-6.545300938

-0.342505863

0.5935

154.2024

578.755

Circle

6

null

2

12

null

0

2

0

6

2

12

0

14

0

2

232

1NMe3-236Ala(9)

-5.95

5.708605184

-2.119885491

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

27.40756847

57.83529133

84.99619974

8.224551337

null

-5.31

null

-5.31

null

2

CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C1=O

97.38731796

35.44307838

0.0

30.21926563

11.78791537

109.5622992

27.42434039

0.0

0

0.0

null

['L', 'Me_dA', 'meA', 'L', 'dP', 'meA']

[0.8193999999999995, 0.1353999999999999, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

28.7672231

11.78791537

139.2513551

0.0

2.823684157

0.0

0

2018_Naylor

2303

null

139.44

null

422.4757891

0.0

83.8935347

-4.958339419

0.0

-36.67352671

-38.08721818

-23.39188439

-60.50835511

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

0.500804452

null

ef73764f337c3e4b0b5ff593f57627d224ba536ea3c2637a7e9fdc930e9e5818

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,303

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dAbu', 'meA', 'L', 'dP', 'meA']

41

2304

-5.51

Circle

3

-2.37e-16

-2.706953926

-2.17e-16

-2.865956295

-1.06e-16

-1.134713744

1.66e-16

-0.249287762

4.458107766

2987.60969

96.0

null

76.92820323

72.13277132

20.13277132

39.98760431

35.94688083

10.05245364

6.974607156

4.302756037

2.485099395

null

220.8098239

6.853792781

28.7672231

0

0.0

64.50781918

592.3948334

0.857142857

1.404761905

1.904761905

0.8

99.0

PEPTIDE2304{L.[Me_dAbu].[meA].L.[dP].[meA]}$PEPTIDE2304,PEPTIDE2304,1:R1-6:R2$$$

PEPTIDE2304{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>}$PEPTIDE2304,PEPTIDE2304,1:R1-6:R2$$$

-3.18

42

540.366

2304

null

5.19e+24

6.586034528

14.81968773

8.005460915

323.593681

null

15.85504077

0.342505861

15.85504077

0.245339745

2.202603149

0.245339745

-6.670726108

-0.342505861

0.9836

158.8194

592.782

Circle

6

null

2

12

null

0

2

0

6

2

12

0

15

0

2

238

1NMe3-2Abu36Ala(10)

-5.62

5.492482805

-2.086443547

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

34.25946059

57.35632411

87.73771686

8.224551337

null

-5.51

null

-5.51

null

2

CC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1C

100.1288351

35.44307838

0.0

30.21926563

11.78791537

115.9352241

27.42434039

0.0

0

0.0

null

['L', 'Me_dAbu', 'meA', 'L', 'dP', 'meA']

[0.8193999999999995, 0.5255000000000001, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

28.7672231

11.78791537

148.3657971

0.0

2.823684157

0.0

0

2018_Naylor

2304

null

139.44

null

441.2864441

0.0

84.51597073

-5.074951168

0.0

-37.32253766

-38.79746064

-29.64728787

-60.96017751

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

0.48813517

null

84f60d9dbbe77329977a79589c9cc3aa075f258b3d4db02864dd5fd2ff185cb8

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,304

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dNva', 'meA', 'L', 'dP', 'meA']

41

2305

-4.85

Circle

8

-2.53e-16

-2.711727911

-2.08e-16

-2.866722415

-1.62e-16

-1.134721686

8.06e-17

-0.249287762

4.52631246

3096.079774

102.0

null

79.42820323

74.63277132

20.63277132

41.23760431

37.19688083

10.30245364

7.099607156

4.365256037

2.544300245

null

227.1827488

8.224551337

28.7672231

0

0.0

65.87857774

606.4104834

0.860465116

1.418604651

1.930232558

0.806451613

103.0

PEPTIDE2305{L.[Me_dNva].[meA].L.[dP].[meA]}$PEPTIDE2305,PEPTIDE2305,1:R1-6:R2$$$

PEPTIDE2305{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dNva/">[Me_dNva]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>}$PEPTIDE2305,PEPTIDE2305,1:R1-6:R2$$$

-3.18

43

552.377

2305

null

1.2299999999999998e+25

6.674402847

15.51692863

8.690417608

332.7685641

null

16.01860369

0.342505861

16.01860369

0.245339745

2.22981592

0.245339745

-6.840916859

-0.342505861

1.3737

163.4364

606.809

Circle

6

null

2

12

null

0

2

0

6

2

12

0

16

0

2

244

1NMe3-2Nva36Ala(11)

-5.21

5.147817121

-2.015065915

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

40.63238549

57.35632411

90.47923397

8.224551337

null

-4.85

null

-4.85

null

2

CCC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1C

102.8703522

35.44307838

0.0

30.21926563

11.78791537

122.308149

27.42434039

0.0

0

0.0

null

['L', 'Me_dNva', 'meA', 'L', 'dP', 'meA']

[0.8193999999999995, 0.9156, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

28.7672231

11.78791537

157.4802391

0.0

2.823684157

0.0

0

2018_Naylor

2305

null

139.44

null

459.8530964

0.0

84.98236845

-5.171172233

0.0

-37.84710987

-39.35774594

-35.8612213

-61.34821551

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

0.468422592

null

586df962226b30480811bf86afc88503fe920ab2ecf07f0780702983ab82abb3

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,305

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'meA', 'L', 'dP', 'meA']

39

2306

-4.75

Circle

4

-2.36e-16

-2.724316231

-2.38e-16

-2.868940102

-1.48e-16

-1.135781908

-5.5e-18

-0.249287767

4.603333861

3187.529786

98.0

null

81.92820323

77.13277132

21.13277132

42.48760431

38.44688083

10.55245364

7.349607156

4.427756037

2.603501094

null

233.5556737

8.224551337

28.7672231

0

0.0

68.62009485

620.4261335

0.772727273

1.272727273

1.772727273

0.8125

100.0

PEPTIDE2306{L.[Me_dL].[meA].L.[dP].[meA]}$PEPTIDE2306,PEPTIDE2306,1:R1-6:R2$$$

PEPTIDE2306{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>}$PEPTIDE2306,PEPTIDE2306,1:R1-6:R2$$$

-3.18

44

564.388

2306

null

2.05e+28

6.76425848

15.70197626

8.937698885

341.9434472

null

16.18888431

0.342505861

16.18888431

0.245339745

2.257028691

0.245339745

-7.056541859

-0.342505861

1.6197

167.9834

620.836

Circle

6

null

2

12

null

0

2

0

6

2

12

0

17

0

2

250

1NMe3-36Ala(12)

-5.05

4.454647164

-2.085165557

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

41.1113527

63.2502818

93.22075108

8.224551337

null

-4.75

null

-4.75

null

2

CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

105.6118693

35.44307838

0.0

30.21926563

17.68187306

122.7871163

27.42434039

0.0

0

0.0

null

['L', 'Me_dL', 'meA', 'L', 'dP', 'meA']

[0.8193999999999995, 1.1616, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

28.7672231

17.68187306

160.7007235

0.0

2.823684157

0.0

0

2018_Naylor

2306

null

139.44

null

478.9926654

0.0

85.44876616

-5.267393298

0.0

-44.42249407

-39.91803124

-30.59853074

-67.73498216

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

0.462849336

null

17cc57ab95db8808b0f1bfaa670e9c5cfaec46c84afe02b3f616b99855f24bd8

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,306

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dA', 'meA', 'L', 'dP', 'meF']

39

2307

-4.73

Circle

5

-2.01e-16

-2.70280607

-1.77e-16

-2.867355268

-6.16e-17

-1.134705375

6.45e-16

-0.249287762

3.542386577

3463.283379

93.0

null

81.89230485

76.63277132

22.63277132

43.41303079

38.44688083

11.55245364

7.974607156

4.927756037

2.916001094

null

249.7334768

12.37791053

28.7672231

0

0.0

61.72521855

654.4104834

0.85106383

1.446808511

2.042553191

0.657142857

94.0

PEPTIDE2307{L.[Me_dA].[meA].L.[dP].[meF]}$PEPTIDE2307,PEPTIDE2307,1:R1-6:R2$$$

PEPTIDE2307{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2307,PEPTIDE2307,1:R1-6:R2$$$

-3.96

47

600.421

2307

null

8.98e+28

7.754903787

16.23541082

9.104372987

355.0957741

null

16.24654454

0.342505664

16.24654454

0.245339745

1.741839768

0.245339745

-6.735160107

-0.342505664

1.8163

178.6744

654.853

Circle

6

null

2

12

null

0

2

1

0

1

6

2

12

0

15

0

2

260

1NMe3-23Ala6F(13)

-5.08

5.507553328

-0.42019734

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

57.61966201

56.5468507

89.99836609

15.07834412

null

-4.73

null

-4.73

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C1=O

102.8703522

35.44307838

0.0

30.21926563

11.78791537

109.083332

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dA', 'meA', 'L', 'dP', 'meF']

[0.8193999999999995, 0.1353999999999999, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

11.78791537

143.4459487

30.21209354

2.823684157

0.0

0

2018_Naylor

2307

null

139.44

null

466.8114047

0.0

86.4432871

-5.087940565

-2.6627168

-37.53563491

-49.48295754

-29.80452978

-55.93091223

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.480063114

null

3cdc86411882d121f900d09e1c3c8042a012a7495644bba7c75e73888cba5bbb

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,307

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dA', 'Me_Abu', 'L', 'dP', 'meF']

42

2308

-4.62

Circle

1

-2.18e-16

-2.70607359

-2.03e-16

-2.869234718

-1.15e-16

-1.134708342

6.9e-16

-0.249287762

3.60014969

3573.972784

91.0

null

84.39230485

79.13277132

23.13277132

44.66303079

39.69688083

11.80245364

8.099607156

5.046157736

3.025369162

null

256.1064017

15.11942764

28.7672231

0

0.0

61.72521855

668.4261335

0.875

1.479166667

2.0625

0.666666667

94.0

PEPTIDE2308{L.[Me_dA].[Me_Abu].L.[dP].[meF]}$PEPTIDE2308,PEPTIDE2308,1:R1-6:R2$$$

PEPTIDE2308{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2308,PEPTIDE2308,1:R1-6:R2$$$

-3.96

48

612.432

2308

null

2.57e+29

7.835215318

16.92503853

9.135184936

364.2706572

null

16.31920294

0.342496399

16.31920294

0.245339747

1.759728187

0.245339747

-6.801363811

-0.342496399

2.2064

183.2914

668.88

Circle

6

null

2

12

null

0

2

1

0

1

6

2

12

0

16

0

2

266

1NMe3-2Ala3Abu6F(14)

-4.87

5.23151738

-0.348955627

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

64.47155412

56.06788349

92.7398832

15.07834412

null

-4.62

null

-4.62

null

3

CC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)C(=O)N1C

105.6118693

35.44307838

0.0

30.21926563

11.78791537

115.4562569

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dA', 'Me_Abu', 'L', 'dP', 'meF']

[0.8193999999999995, 0.1353999999999999, 0.5255000000000001, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

11.78791537

152.5603907

30.21209354

2.823684157

0.0

0

2018_Naylor

2308

null

139.44

null

485.7728711

0.0

87.08599155

-5.22482073

-2.688028592

-38.18464586

-50.29578736

-36.15776679

-56.30781332

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.457095757

null

8cf780a609a725215252bec038303492edd0329a80bb00d42b55df522e2cf348

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,308

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'meL', 'L', 'dP', 'meA']

39

2309

-4.6

Circle

9

-3.03e-16

-2.736413118

-2.72e-16

-2.873924223

-2.08e-16

-1.136363275

-1.73e-16

-0.24928777

4.861299559

3499.708011

107.0

null

89.42820323

84.63277132

22.63277132

46.23760431

42.19688083

11.30245364

7.849607156

4.671157736

2.831270861

null

252.6744484

17.86094475

28.7672231

0

0.0

67.20825277

662.4730837

0.723404255

1.234042553

1.787234043

0.828571429

106.0

PEPTIDE2309{L.[Me_dL].[meL].L.[dP].[meA]}$PEPTIDE2309,PEPTIDE2309,1:R1-6:R2$$$

PEPTIDE2309{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>}$PEPTIDE2309,PEPTIDE2309,1:R1-6:R2$$$

-3.18

47

600.421

2309

null

1.77e+33

7.041424903

17.28617733

10.40212843

369.4680965

null

16.74827177

0.342505861

16.74827177

0.245339747

2.396953459

0.245339747

-7.380468305

-0.342505861

2.6459

181.7644

662.917

Circle

6

null

2

12

null

0

2

0

6

2

12

0

20

0

2

268

1NMe3-6Ala(15)

-5.09

3.19715023

-1.995993914

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

54.81513694

68.66527227

101.4453024

8.224551337

null

-4.6

null

-4.6

null

2

CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

113.8364206

35.44307838

0.0

30.21926563

23.57583074

136.0119333

27.42434039

0.0

0

0.0

null

['L', 'Me_dL', 'meL', 'L', 'dP', 'meA']

[0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

28.7672231

23.57583074

182.1500918

0.0

2.823684157

0.0

0

2018_Naylor

2309

null

139.44

null

536.5634302

0.0

87.05385404

-5.626303598

0.0

-52.56735537

-41.7488443

-38.38708237

-75.03769864

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

0.409958391

null

8ead8974f847ec1d117cea25c8b2c3c0a4b721c223a56384b8d6ed14b3cbd726

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,309

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dAbu', 'Me_Abu', 'L', 'dP', 'meF']

44

2310

-4.49

Circle

7

-2.46e-16

-2.710996689

-2.42e-16

-2.871283158

-1.47e-16

-1.134711689

1.76e-16

-0.249287762

3.666478872

3685.09217

91.0

null

86.89230485

81.63277132

23.63277132

45.91303079

40.94688083

12.05245364

8.224607156

5.164559436

3.134737229

null

262.4793266

19.27278683

28.7672231

0

0.0

60.31337647

682.4417836

0.816326531

1.367346939

1.959183673

0.675675676

106.0

PEPTIDE2310{L.[Me_dAbu].[Me_Abu].L.[dP].[meF]}$PEPTIDE2310,PEPTIDE2310,1:R1-6:R2$$$

PEPTIDE2310{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2310,PEPTIDE2310,1:R1-6:R2$$$

-3.96

49

624.443

2310

null

2.6499999999999997e+31

7.917418039

17.62232578

9.600674648

373.4455403

null

16.41002568

0.342496399

16.41002568

0.245339747

1.785039978

0.245339747

-6.926788981

-0.342496399

2.5965

187.9084

682.907

Circle

6

null

2

12

null

0

2

1

0

1

6

2

12

0

17

0

2

272

1NMe3-23Abu6F(16)

-4.98

4.771771985

-0.20625896

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

71.32344624

55.58891627

95.48140031

15.07834412

null

-4.49

null

-4.49

null

3

CC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC)C(=O)N1C

108.3533864

35.44307838

0.0

30.21926563

11.78791537

121.8291818

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dAbu', 'Me_Abu', 'L', 'dP', 'meF']

[0.8193999999999995, 0.5255000000000001, 0.5255000000000001, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

11.78791537

161.6748327

30.21209354

2.823684157

0.0

0

2018_Naylor

2310

null

139.44

null

505.0164092

0.0

87.70842758

-5.341432479

-2.7264813

-38.83365681

-51.1552636

-42.76454768

-56.65345491

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.432506414

null

2c733f865d683d7aa76fa6eda74a98b7a1c093e19d5de55405bf60a7bca474e2

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,310

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dA', 'meL', 'L', 'dP', 'meF']

39

2311

-4.52

Circle

6

-3.12e-16

-2.720471775

-2.08e-16

-2.871808947

-1.31e-16

-1.135667301

3.9e-16

-0.249287767

3.691855231

3779.121583

101.0

null

89.39230485

84.13277132

24.13277132

47.16303079

42.19688083

12.30245364

8.474607156

5.171157736

3.143770861

null

268.8522515

22.01430394

28.7672231

0

0.0

60.31337647

696.4574336

0.8

1.36

1.94

0.684210526

101.0

PEPTIDE2311{L.[Me_dA].[meL].L.[dP].[meF]}$PEPTIDE2311,PEPTIDE2311,1:R1-6:R2$$$

PEPTIDE2311{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2311,PEPTIDE2311,1:R1-6:R2$$$

-3.96

50

636.454

2311

null

3.4699999999999996e+33

8.001343729

17.80740875

10.06284685

382.6204234

null

16.47332297

0.342496078

16.47332297

0.245339747

1.791981701

0.245339747

-7.066175026

-0.342496078

2.8425

192.4554

696.934

Circle

6

null

2

12

null

0

2

1

0

1

6

2

12

0

18

0

2

278

1NMe3-2Ala6F(17)

-5.03

4.309812391

-0.307341087

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

71.32344624

61.96184117

98.22291743

15.07834412

null

-4.52

null

-4.52

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O

111.0949035

35.44307838

0.0

30.21926563

17.68187306

122.308149

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dA', 'meL', 'L', 'dP', 'meF']

[0.8193999999999995, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

17.68187306

164.8953171

30.21209354

2.823684157

0.0

0

2018_Naylor

2311

null

139.44

null

523.7668718

0.0

88.04837498

-5.446850865

-2.732820258

-45.31330748

-51.59997971

-37.23580801

-62.98648049

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.428942001

null

382022124b53118a9e122168506e47bb9485a1da9e26f9888566472491fa1910

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,311

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'meA', 'L', 'dP', 'meF']

39

2312

-4.64

Circle

4

-2.33e-16

-2.724619273

-2.23e-16

-2.872102179

-1.04e-16

-1.135778191

4.58e-16

-0.249287767

3.708359511

3779.121583

104.0

null

89.39230485

84.13277132

24.13277132

47.16303079

42.19688083

12.30245364

8.474607156

5.171157736

3.143770861

null

268.8522515

22.01430394

28.7672231

0

0.0

60.31337647

696.4574336

0.8

1.38

1.98

0.684210526

104.0

PEPTIDE2312{L.[Me_dL].[meA].L.[dP].[meF]}$PEPTIDE2312,PEPTIDE2312,1:R1-6:R2$$$

PEPTIDE2312{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2312,PEPTIDE2312,1:R1-6:R2$$$

-3.96

50

636.454

2312

null

4.0499999999999996e+33

8.001343729

17.80740875

10.06284685

382.6204234

null

16.61034542

0.342505664

16.61034542

0.245339745

1.811943226

0.245339745

-7.169759654

-0.342505664

2.8425

192.4554

696.934

Circle

6

null

2

12

null

0

2

1

0

1

6

2

12

0

18

0

2

278

1NMe3-3Ala6F(18)

-5.16

4.226384307

-0.314569307

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

71.32344624

61.96184117

98.22291743

15.07834412

null

-4.64

null

-4.64

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

111.0949035

35.44307838

0.0

30.21926563

17.68187306

122.308149

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dL', 'meA', 'L', 'dP', 'meF']

[0.8193999999999995, 1.1616, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

17.68187306

164.8953171

30.21209354

2.823684157

0.0

0

2018_Naylor

2312

null

139.44

null

524.0764636

0.0

87.99851856

-5.396994443

-2.767429371

-45.36920859

-51.72436744

-37.25831878

-63.05866352

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.428942001

null

eb0415bed38f594bec15ea31ece71d279cb7191c3da94e0a1b084f83d2bfa2eb

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,312

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dAbu', 'meL', 'L', 'dP', 'meF']

41

2313

-4.51

Circle

8

-3.11e-16

-2.724439315

-2.04e-16

-2.873830862

-1.25e-16

-1.135669325

1.84e-16

-0.249287767

3.762022089

3891.07085

87.0

null

91.89230485

86.63277132

24.63277132

48.41303079

43.44688083

12.55245364

8.599607156

5.289559436

3.253138928

null

275.2251764

22.01430394

28.7672231

0

0.0

63.05489358

710.4730837

0.784313725

1.333333333

1.921568627

0.692307692

83.0

PEPTIDE2313{L.[Me_dAbu].[meL].L.[dP].[meF]}$PEPTIDE2313,PEPTIDE2313,1:R1-6:R2$$$

PEPTIDE2313{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2313,PEPTIDE2313,1:R1-6:R2$$$

-3.96

51

648.465

2313

null

1.5400000000000002e+34

8.086843467

18.50658018

10.54087627

391.7953065

null

16.55025405

0.342496078

16.55025405

0.245339747

1.817293492

0.245339747

-7.191600196

-0.342496078

3.2326

197.0724

710.961

Circle

6

null

2

12

null

0

2

1

0

1

6

2

12

0

19

0

2

284

1NMe3-2Abu6F(19)

-5.36

3.940114645

-0.230891392

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

78.17533836

61.48287396

100.9644345

15.07834412

null

-4.51

null

-4.51

null

3

CC[C@@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1C

113.8364206

35.44307838

0.0

30.21926563

17.68187306

128.6810739

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dAbu', 'meL', 'L', 'dP', 'meF']

[0.8193999999999995, 0.5255000000000001, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

17.68187306

174.0097591

30.21209354

2.823684157

0.0

0

2018_Naylor

2313

null

139.44

null

543.2752247

0.0

88.67081101

-5.563462613

-2.771272967

-46.04261357

-52.45945594

-44.00317918

-63.35605148

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.403833635

null

7834c850eedeea7c7c3633f1f15ba3ed7de255217f000e89487ebaa64882114c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,313

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dAbu', 'meL', 'L', 'dP', 'Me_Cha']

44

2314

-4.9

Circle

7

-3.13e-16

-2.825606787

-3.8e-16

-2.876563402

-2.64e-16

-1.17411977

-1.24e-16

-0.249287767

3.828466409

3938.836935

84.0

null

97.42820323

92.63277132

24.63277132

50.48760431

46.44688083

12.55245364

8.599607156

5.289559436

3.253138928

null

277.2082136

23.3850625

28.7672231

0

0.0

69.90868636

716.5200339

0.705882353

1.254901961

1.843137255

0.846153846

85.0

PEPTIDE2314{L.[Me_dAbu].[meL].L.[dP].[Me_Cha]}$PEPTIDE2314,PEPTIDE2314,1:R1-6:R2$$$

PEPTIDE2314{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>}$PEPTIDE2314,PEPTIDE2314,1:R1-6:R2$$$

-3.18

51

648.465

2314

null

6.5e+38

7.551519596

19.05683516

10.91671533

402.3518568

null

16.80334047

0.342496274

16.80334047

0.245339747

2.581151211

0.245339747

-7.423578173

-0.342496274

3.9603

198.1184

717.009

Circle

6

null

2

12

null

1

2

3

0

6

2

12

0

19

1

2

3

290

1NMe3-2Abu6Cha(20)

-6.1

2.022792404

-1.60395183

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

79.82786933

68.18630505

109.6698538

8.224551337

null

-4.9

null

-4.9

null

3

CC[C@@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)N1C

122.060972

35.44307838

0.0

30.21926563

23.57583074

160.5456984

27.42434039

0.0

0

0.0

null

['L', 'Me_dAbu', 'meL', 'L', 'dP', 'Me_Cha']

[0.8193999999999995, 0.5255000000000001, 1.1616, 0.8193999999999995, 0.2794999999999998, 2.0859]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

28.7672231

23.57583074

214.9084083

0.0

2.823684157

0.0

0

2018_Naylor

2314

null

139.44

null

599.0437877

0.0

88.83140759

-5.934662826

0.0

-54.24012877

-43.24563205

-74.33679094

-64.86798075

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

0.370683991

null

a44db310dfdb21782f2a191e08d925dee0292485c31587e0660bf1eb54e3f6cc

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,314

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'meL', 'L', 'dP', 'meF']

39

2315

-4.71

Circle

8

-2.54e-16

-2.73656702

-2.66e-16

-2.876467301

-2.64e-16

-1.136362017

5.6e-17

-0.24928777

3.874957051

4098.653055

102.0

null

96.89230485

91.63277132

25.63277132

50.91303079

45.94688083

13.05245364

8.974607156

5.414559436

3.371540628

null

287.9710262

24.75582106

28.7672231

0

0.0

65.7964107

738.5043838

0.716981132

1.20754717

1.773584906

0.707317073

82.0

PEPTIDE2315{L.[Me_dL].[meL].L.[dP].[meF]}$PEPTIDE2315,PEPTIDE2315,1:R1-6:R2$$$

PEPTIDE2315{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2315,PEPTIDE2315,1:R1-6:R2$$$

-3.96

53

672.487

2315

null

3.32e+38

8.262050263

19.39120531

11.51458759

410.1450727

null

16.993187

0.342496078

16.993187

0.245339747

1.862085159

0.245339747

-7.493686099

-0.342496078

3.8687

206.2364

739.015

Circle

6

null

2

12

null

0

2

1

0

1

6

2

12

0

21

0

2

296

1NMe3-6F(21)

-6.16

2.923780717

-0.212938657

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

85.02723048

67.37683164

106.4474688

15.07834412

null

-4.71

null

-4.71

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

119.3194549

35.44307838

0.0

30.21926563

23.57583074

135.5329661

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dL', 'meL', 'L', 'dP', 'meF']

[0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

23.57583074

186.3446854

30.21209354

2.823684157

0.0

0

2018_Naylor

2315

null

139.44

null

582.1659523

0.0

89.60360643

-5.755904743

-2.837532829

-53.57228626

-53.84138961

-45.20927885

-70.30316642

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.3740717

null

ee4e58483ce69e52582efa66e9e6195fb9936ffc77e661a8ff8f54c8491c9b78

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,315

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'meL', 'L', 'dP', 'Me_Cha']

42

2316

-5.61

Circle

1

-3.7e-16

-2.825630719

-3.97e-16

-2.878936838

-2.47e-16

-1.174120711

-2.43e-16

-0.24928777

3.9400946

4134.641823

101.0

null

102.4282032

97.63277132

25.63277132

52.98760431

48.94688083

13.05245364

8.974607156

5.414559436

3.371540628

null

289.9540634

26.12657961

28.7672231

0

0.0

72.65020348

744.551334

0.641509434

1.132075472

1.698113208

0.853658537

100.0

PEPTIDE2316{L.[Me_dL].[meL].L.[dP].[Me_Cha]}$PEPTIDE2316,PEPTIDE2316,1:R1-6:R2$$$

PEPTIDE2316{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>}$PEPTIDE2316,PEPTIDE2316,1:R1-6:R2$$$

-3.18

53

672.487

2316

null

4.78e+41

7.744933159

19.94258771

11.90311671

420.7016231

null

17.07632896

0.342496274

17.07632896

0.245339747

2.635576754

0.245339747

-7.644184316

-0.342496274

4.5964

207.2824

745.063

Circle

6

null

2

12

null

1

2

3

0

6

2

12

0

21

1

2

3

302

1NMe3-6Cha(22)

-7.02

1.128467919

-1.588604775

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

86.67976145

74.08026274

115.152888

8.224551337

null

-5.61

null

-5.61

null

3

CC(C)C[C@@H]1NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

127.5440062

35.44307838

0.0

30.21926563

29.46978843

167.3975906

27.42434039

0.0

0

0.0

null

['L', 'Me_dL', 'meL', 'L', 'dP', 'Me_Cha']

[0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 2.0859]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

28.7672231

29.46978843

227.2433347

0.0

2.823684157

0.0

0

2018_Naylor

2316

null

139.44

null

638.195823

0.0

89.76420302

-6.127104956

0.0

-61.95991917

-44.36620264

-75.86175173

-71.89504751

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

0.335658436

null

d465f0c4015e44dab4b73d2326085f0238b5c7a8f8ba3b793fcb1403aa6b4889

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,316

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dA', 'Me_Cha', 'Cha', 'dP', 'meF']

44

2317

-5.5

Circle

4

-3.33e-16

-2.830619009

-2.65e-16

-2.876330425

-9.14e-17

-1.174396513

1.5e-16

-0.248413262

2.654540589

4443.303022

82.0

null

100.3923048

95.13277132

27.13277132

53.16303079

48.19688083

14.30245364

9.724607156

6.171157736

3.768770861

null

305.1739321

30.23885528

28.7672231

0

0.0

63.05489358

776.5200339

0.75

1.357142857

1.982142857

0.727272727

83.0

PEPTIDE2317{L.[Me_dA].[Me_Cha].[Cha].[dP].[meF]}$PEPTIDE2317,PEPTIDE2317,1:R1-6:R2$$$

PEPTIDE2317{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2317,PEPTIDE2317,1:R1-6:R2$$$

-3.96

56

708.52

2317

null

3.99e+41

8.811200914

19.94945831

10.70234104

430.0381778

null

17.1070248

0.3424957

17.1070248

0.245340122

1.854588507

0.245340122

-7.478900603

-0.3424957

4.6911

215.9294

777.064

Circle

6

null

2

12

null

2

4

1

0

1

6

2

12

0

14

2

4

310

1NMe3-2Ala34Cha6F(23)

-7.31

2.513935012

0.239672249

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

107.6451268

61.96184117

109.1889859

15.07834412

null

-5.5

null

-5.5

null

5

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H](C)N(C)C1=O

122.060972

35.44307838

0.0

30.21926563

17.68187306

158.6298296

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dA', 'Me_Cha', 'Cha', 'dP', 'meF']

[0.8193999999999995, 0.1353999999999999, 2.0859, 1.7436999999999996, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

17.68187306

212.1830661

30.21209354

2.823684157

0.0

0

2018_Naylor

2317

null

139.44

null

611.1358439

0.0

90.27170056

-5.743436354

-2.819946155

-47.57444828

-53.52978687

-95.55408337

-42.18584349

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.393188309

null

1e9fdf71f69f4c769281ca1231ffff269c17f39ed0d9f99d65ddafb5e4f2e92c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,317

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'Me_Cha', 'L', 'dP', 'meF']

42

2318

-5.79

Circle

1

-3.25e-16

-2.826341852

-3.13e-16

-2.878667371

-1.54e-16

-1.174129438

-1.16e-16

-0.249287767

3.218081758

4432.488287

104.0

null

102.3923048

97.13277132

27.13277132

53.91303079

48.94688083

14.05245364

9.599607156

5.914559436

3.684040628

null

306.1318665

28.86809672

28.7672231

0

0.0

67.16716925

778.535684

0.714285714

1.267857143

1.875

0.727272727

106.0

PEPTIDE2318{L.[Me_dL].[Me_Cha].L.[dP].[meF]}$PEPTIDE2318,PEPTIDE2318,1:R1-6:R2$$$

PEPTIDE2318{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2318,PEPTIDE2318,1:R1-6:R2$$$

-3.96

56

708.52

2318

null

1.59e+42

8.670830354

20.45744558

11.55785719

433.8539499

null

17.32012758

0.342496076

17.32012758

0.245339747

1.88871836

0.245339747

-7.659829363

-0.342496076

4.793

217.9734

779.08

Circle

6

null

2

12

null

1

2

3

1

0

1

6

2

12

0

19

1

2

3

312

1NMe3-3Cha6F(24)

-7.55

1.906451203

0.031939578

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

103.1880707

67.37683164

111.930503

15.07834412

null

-5.79

null

-5.79

null

4

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

124.8024891

35.44307838

0.0

30.21926563

23.57583074

153.6938063

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dL', 'Me_Cha', 'L', 'dP', 'meF']

[0.8193999999999995, 1.1616, 2.0859, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

23.57583074

209.9885599

30.21209354

2.823684157

0.0

0

2018_Naylor

2318

null

139.44

null

626.3582227

0.0

90.70886754

-5.897795802

-2.873506434

-54.81377236

-54.77792945

-74.91960065

-59.78448556

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.350513275

null

0a5f87021917995a8d12419950a7c7a5eaa3f2adb5be81b59e051f80e2d637b3

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,318

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dAbu', 'Me_Cha', 'Cha', 'dP', 'meF']

46

2319

-6.02

Circle

9

-3.23e-16

-2.830767688

-2.81e-16

-2.878138194

-1.9e-16

-1.174396643

3.69e-16

-0.24918574

2.70175467

4557.557513

103.0

null

102.8923048

97.63277132

27.63277132

54.41303079

49.44688083

14.55245364

9.849607156

6.289559436

3.878138928

null

311.546857

30.23885528

28.7672231

0

0.0

65.7964107

790.535684

0.736842105

1.333333333

1.964912281

0.733333333

97.0

PEPTIDE2319{L.[Me_dAbu].[Me_Cha].[Cha].[dP].[meF]}$PEPTIDE2319,PEPTIDE2319,1:R1-6:R2$$$

PEPTIDE2319{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2319,PEPTIDE2319,1:R1-6:R2$$$

-3.96

57

720.531

2319

null

1.9500000000000002e+42

8.900145796

20.64237934

11.16356072

439.2130609

null

17.1998932

0.3424957

17.1998932

0.245340122

1.879900299

0.245340122

-7.604325773

-0.3424957

5.0812

220.5464

791.091

Circle

6

null

2

12

null

2

4

1

0

1

6

2

12

0

15

2

4

316

1NMe3-2Abu34Cha6F(25)

-7.84

2.139764969

0.311214506

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

114.4970189

61.48287396

111.930503

15.07834412

null

-6.02

null

-6.02

null

5

CC[C@@H]1C(=O)N(C)[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1C

124.8024891

35.44307838

0.0

30.21926563

17.68187306

165.0027545

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dAbu', 'Me_Cha', 'Cha', 'dP', 'meF']

[0.8193999999999995, 0.5255000000000001, 2.0859, 1.7436999999999996, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

17.68187306

221.2975081

30.21209354

2.823684157

0.0

0

2018_Naylor

2319

null

139.44

null

631.0701006

0.0

90.89413659

-5.860048103

-2.858398864

-48.30375437

-54.3892631

-102.9886132

-42.31415958

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.358087003

null

e41d751c172f577c240c9a810c297daad68ac0751be1e354e7b5464ce2e9dd5c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,319

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dNva', 'Me_Cha', 'Cha', 'dP', 'meF']

46

2320

-6.49

Circle

3

-3.33e-16

-2.830850038

-3.07e-16

-2.878740856

-2.14e-16

-1.174396975

-1.2e-17

-0.249284558

2.738764152

4672.163279

86.0

null

105.3923048

100.1327713

28.13277132

55.66303079

50.69688083

14.80245364

9.974607156

6.352059436

3.937339778

null

317.9197819

32.98037239

28.7672231

0

0.0

65.7964107

804.551334

0.74137931

1.344827586

1.982758621

0.739130435

86.0

PEPTIDE2320{L.[Me_dNva].[Me_Cha].[Cha].[dP].[meF]}$PEPTIDE2320,PEPTIDE2320,1:R1-6:R2$$$

PEPTIDE2320{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dNva/">[Me_dNva]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2320,PEPTIDE2320,1:R1-6:R2$$$

-3.96

58

732.542

2320

null

2.3100000000000003e+44

8.99018129

21.34159076

11.40215482

448.387944

null

17.3061895

0.3424957

17.3061895

0.245340122

1.902296132

0.245340122

-7.70357641

-0.3424957

5.4713

225.1634

805.118

Circle

6

null

2

12

null

2

4

1

0

1

6

2

12

0

16

2

4

322

1NMe3-2Nva34Cha6F(26)

null

1.819727959

0.402698858

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

120.8699438

61.48287396

114.6720201

15.07834412

null

-6.49

null

-6.49

null

5

CCC[C@@H]1C(=O)N(C)[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1C

127.5440062

35.44307838

0.0

30.21926563

17.68187306

171.3756794

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dNva', 'Me_Cha', 'Cha', 'dP', 'meF']

[0.8193999999999995, 0.9156, 2.0859, 1.7436999999999996, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

17.68187306

230.4119501

30.21209354

2.823684157

0.0

0

2018_Naylor

2320

null

139.44

null

650.5970724

0.0

91.36053431

-5.956269168

-2.891528795

-48.89453028

-55.08022993

-110.1989933

-42.43605526

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.321917741

null

130267b68929c1b7fefb13b4a60baf2b0393f55cc27f59cc69314a3ce55426f3

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,320

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'Me_Cha', 'Cha', 'dP', 'meF']

44

2321

-6.96

Circle

7

-3.81e-16

-2.830997312

-2.97e-16

-2.880482162

-2.44e-16

-1.174397987

1.34e-16

-0.249287767

2.778389075

4769.603695

78.0

null

107.8923048

102.6327713

28.63277132

56.91303079

51.94688083

15.05245364

10.22460716

6.414559436

3.996540628

null

324.2927068

34.35113095

28.7672231

0

0.0

67.16716925

818.5669841

0.677966102

1.237288136

1.86440678

0.744680851

81.0

PEPTIDE2321{L.[Me_dL].[Me_Cha].[Cha].[dP].[meF]}$PEPTIDE2321,PEPTIDE2321,1:R1-6:R2$$$

PEPTIDE2321{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE2321,PEPTIDE2321,1:R1-6:R2$$$

-3.96

59

744.553

2321

null

1.76e+45

9.081229129

21.52535307

12.08617151

457.5628271

null

17.5012658

0.3424957

17.5012658

0.245340122

1.924691965

0.245340122

-7.802827048

-0.3424957

5.7173

229.7104

819.145

Circle

6

null

2

12

null

2

4

1

0

1

6

2

12

0

17

2

4

328

1NMe3-34Cha6F(27)

-7.85

1.244829755

0.337321516

30.21926563

36.10735481

2.823684157

35.44307838

0.0

28.7672231

0.0

121.348911

67.37683164

117.4135372

15.07834412

null

-6.96

null

-6.96

null

5

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

130.2855233

35.44307838

0.0

30.21926563

23.57583074

171.8546466

27.42434039

35.77554503

0

0.0

null

['L', 'Me_dL', 'Me_Cha', 'Cha', 'dP', 'meF']

[0.8193999999999995, 1.1616, 2.0859, 1.7436999999999996, 0.2794999999999998, 1.3581999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 20.31]

10.61962671

0.0

118.5744125

35.14014801

23.57583074

233.6324344

30.21209354

2.823684157

0.0

0

2018_Naylor

2321

null

139.44

null

670.6969609

0.0

91.82693202

-6.052490233

-2.924658726

-55.99996258

-55.77119677

-105.0050606

-49.02052399

0.0

1.0

2018

null

0

6

0

4

2

0

3

0

6

0

1

0

1

0

0.310139324

null

5001fdba4c84327e2aeca0c51cd86357f7874cbcf577fd3e05fa9ceb65fe2ae3

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,321

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dA', 'meA', 'L', 'dP', 'meY']

39

2322

-5.66

Circle

2

-1.32e-16

-2.702792373

-1.7e-16

-2.867350446

2.79e-17

-1.134705375

1.32e-15

-0.249287762

3.550552967

3485.77863

121.0

null

82.59941163

77.04101961

23.04101961

43.95103559

38.55925326

11.75657778

8.178731301

5.02981811

2.967032131

null

249.4405699

12.37791053

28.7672231

0

5.108808191

61.78565965

670.4053981

0.895833333

1.5

2.083333333

0.657142857

141.0

PEPTIDE2322{L.[Me_dA].[meA].L.[dP].[meY]}$PEPTIDE2322,PEPTIDE2322,1:R1-6:R2$$$

PEPTIDE2322{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2322,PEPTIDE2322,1:R1-6:R2$$$

-4.16

48

616.42

2322

null

1.7600000000000001e+28

8.071612888

16.29525404

9.044373492

359.9766781

null

16.28070328

0.507966645

16.28070328

0.29309207

1.737210138

0.29309207

-6.751151843

-0.507966645

1.5219

180.3392

670.852

Circle

6

null

3

13

null

0

2

1

0

1

7

3

13

0

16

0

2

266

1NMe3-23Ala(28)

-5.49

4.687233873

-1.21507353

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

39.49240588

68.63168812

89.99836609

13.70758556

null

-5.66

null

-5.66

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C1=O

106.6084018

35.44307838

1.431199657

30.21926563

11.78791537

109.083332

27.42434039

29.73312632

0

5.749511833

null

['L', 'Me_dA', 'meA', 'L', 'dP', 'meY']

[0.8193999999999995, 0.1353999999999999, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

11.78791537

142.0751902

24.16967483

2.823684157

0.0

0

2018_Naylor

2322

null

159.67

null

466.804045

0.0

86.54750124

-1.139666547

-2.695309393

-39.35870366

-47.99121298

-29.88746996

-56.02918371

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.414003425

null

a9d32a4230b3099382ae18ea5846f9d332fbf064c67531ecca883e7f6bbc83ee

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,322

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dA', 'Me_Abu', 'L', 'dP', 'meY']

42

2323

-5.35

Circle

4

-1.87e-16

-2.706062365

-2e-16

-2.869230336

-4.58e-17

-1.134708342

1.57e-15

-0.249287762

3.607667225

3596.585581

123.0

null

85.09941163

79.54101961

23.54101961

45.20103559

39.80925326

12.00657778

8.303731301

5.148219809

3.076400198

null

255.8134948

15.11942764

28.7672231

0

5.108808191

61.78565965

684.4210481

0.918367347

1.530612245

2.102040816

0.666666667

125.0

PEPTIDE2323{L.[Me_dA].[Me_Abu].L.[dP].[meY]}$PEPTIDE2323,PEPTIDE2323,1:R1-6:R2$$$

PEPTIDE2323{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2323,PEPTIDE2323,1:R1-6:R2$$$

-4.16

49

628.431

2323

null

2.8699999999999998e+31

8.148591732

16.97804759

9.508552543

369.1515612

null

16.35073187

0.507966645

16.35073187

0.29309207

1.755098557

0.29309207

-6.817355546

-0.507966645

1.912

184.9562

684.879

Circle

6

null

3

13

null

0

2

1

0

1

7

3

13

0

17

0

2

272

1NMe3-2Ala3Abu(29)

-5.38

4.417794254

-1.143509157

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

46.344298

68.1527209

92.7398832

13.70758556

null

-5.35

null

-5.35

null

3

CC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C)C(=O)N1C

109.3499189

35.44307838

1.431199657

30.21926563

11.78791537

115.4562569

27.42434039

29.73312632

0

5.749511833

null

['L', 'Me_dA', 'Me_Abu', 'L', 'dP', 'meY']

[0.8193999999999995, 0.1353999999999999, 0.5255000000000001, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

11.78791537

151.1896322

24.16967483

2.823684157

0.0

0

2018_Naylor

2323

null

159.67

null

485.7721609

0.0

87.19020569

-1.277438012

-2.720621184

-40.02560302

-48.78615438

-36.24709073

-56.40545922

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.39583787

null

789b47c7e1748b155200e42533583bafc5e3db68520ff3f210c00544d0258c48

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,323

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dAbu', 'Me_Abu', 'L', 'dP', 'meY']

44

2324

-4.78

Circle

9

-2.27e-16

-2.710986921

-2.25e-16

-2.871279044

-4.78e-17

-1.134711689

5.69e-16

-0.249287762

3.673866657

3707.819396

124.0

null

87.59941163

82.04101961

24.04101961

46.45103559

41.05925326

12.25657778

8.428731301

5.266621508

3.185768265

null

262.1864197

19.27278683

28.7672231

0

5.108808191

60.37381757

698.4366982

0.86

1.42

2.0

0.675675676

120.0

PEPTIDE2324{L.[Me_dAbu].[Me_Abu].L.[dP].[meY]}$PEPTIDE2324,PEPTIDE2324,1:R1-6:R2$$$

PEPTIDE2324{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2324,PEPTIDE2324,1:R1-6:R2$$$

-4.16

50

640.442

2324

null

1.17e+33

8.227656549

17.66844112

9.539063058

378.3264443

null

16.4485442

0.507966645

16.4485442

0.29309207

1.780410349

0.29309207

-6.942780716

-0.507966645

2.3021

189.5732

698.906

Circle

6

null

3

13

null

0

2

1

0

1

7

3

13

0

18

0

2

278

1NMe3-23Abu(30)

-5.1

3.964661331

-1.001448077

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

53.19619012

67.67375369

95.48140031

13.70758556

null

-4.78

null

-4.78

null

3

CC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC)C(=O)N1C

112.091436

35.44307838

1.431199657

30.21926563

11.78791537

121.8291818

27.42434039

29.73312632

0

5.749511833

null

['L', 'Me_dAbu', 'Me_Abu', 'L', 'dP', 'meY']

[0.8193999999999995, 0.5255000000000001, 0.5255000000000001, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

11.78791537

160.3040742

24.16967483

2.823684157

0.0

0

2018_Naylor

2324

null

159.67

null

505.0245922

0.0

87.81264172

-1.394961219

-2.759073893

-40.69992576

-49.62031883

-42.86288522

-56.75006898

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.375882298

null

deb68dd2d9333d75ba825404f0fa13dc201986dbda2b8e6aad38a3515f8c2ecf

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,324

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dA', 'meL', 'L', 'dP', 'meY']

39

2325

-4.92

Circle

6

-2.15e-16

-2.720467805

-1.83e-16

-2.871805131

-7.71e-17

-1.135667302

8.74e-16

-0.249287767

3.698464359

3801.960284

121.0

null

90.09941163

84.54101961

24.54101961

47.70103559

42.30925326

12.50657778

8.678731301

5.273219809

3.194801897

null

268.5593446

22.01430394

28.7672231

0

5.108808191

60.37381757

712.4523483

0.843137255

1.411764706

1.980392157

0.684210526

123.0

PEPTIDE2325{L.[Me_dA].[meL].L.[dP].[meY]}$PEPTIDE2325,PEPTIDE2325,1:R1-6:R2$$$

PEPTIDE2325{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2325,PEPTIDE2325,1:R1-6:R2$$$

-4.16

51

652.453

2325

null

7.44e+33

8.308622705

17.85842563

10.44532482

387.5013274

null

16.49240279

0.507966645

16.49240279

0.29309207

1.787352071

0.29309207

-7.07329143

-0.507966645

2.5481

194.1202

712.933

Circle

6

null

3

13

null

0

2

1

0

1

7

3

13

0

19

0

2

284

1NMe3-2Ala(31)

-5.26

3.512453171

-1.102495398

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

53.19619012

74.04667859

98.22291743

13.70758556

null

-4.92

null

-4.92

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O

114.8329532

35.44307838

1.431199657

30.21926563

17.68187306

122.308149

27.42434039

29.73312632

0

5.749511833

null

['L', 'Me_dA', 'meL', 'L', 'dP', 'meY']

[0.8193999999999995, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

17.68187306

163.5245585

24.16967483

2.823684157

0.0

0

2018_Naylor

2325

null

159.67

null

523.7783257

0.0

88.15258911

-1.501192523

-2.765412851

-47.19227634

-50.05809321

-37.32513195

-63.08880796

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.373767819

null

8f0721f704a8498c7822d5dd30efeae71215a31e83c01a635d67461f375530e3

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,325

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'meA', 'L', 'dP', 'meY']

39

2326

-5.19

Circle

5

-2.34e-16

-2.724613892

-1.49e-16

-2.872098063

-9.5e-17

-1.135778192

5.74e-16

-0.249287767

3.716350761

3801.960284

108.0

null

90.09941163

84.54101961

24.54101961

47.70103559

42.30925326

12.50657778

8.678731301

5.273219809

3.194801897

null

268.5593446

22.01430394

28.7672231

0

5.108808191

60.37381757

712.4523483

0.843137255

1.431372549

2.019607843

0.684210526

106.0

PEPTIDE2326{L.[Me_dL].[meA].L.[dP].[meY]}$PEPTIDE2326,PEPTIDE2326,1:R1-6:R2$$$

PEPTIDE2326{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2326,PEPTIDE2326,1:R1-6:R2$$$

-4.16

51

652.453

2326

null

4.0900000000000003e+34

8.308622705

17.85842563

10.44532482

387.5013274

null

16.63259641

0.507966645

16.63259641

0.29309207

1.807313596

0.29309207

-7.180016567

-0.507966645

2.5481

194.1202

712.933

Circle

6

null

3

13

null

0

2

1

0

1

7

3

13

0

19

0

2

284

1NMe3-3Ala(32)

-5.03

3.426665978

-1.110082476

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

53.19619012

74.04667859

98.22291743

13.70758556

null

-5.19

null

-5.19

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

114.8329532

35.44307838

1.431199657

30.21926563

17.68187306

122.308149

27.42434039

29.73312632

0

5.749511833

[['RRCK']]

[36]

[['-5.26']]

['2012_Rand']

['L', 'Me_dL', 'meA', 'L', 'dP', 'meY']

[0.8193999999999995, 1.1616, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

17.68187306

163.5245585

24.16967483

2.823684157

0.0

0

2018_Naylor

36

null

159.67

null

524.0940749

0.0

88.10273269

-1.451476877

-2.800021964

-47.27036256

-50.16251942

-37.35027257

-63.16215421

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.373767819

null

87908253e95c8a1aa16bdd3562c8dccc4f0609778528aa518f958bd2acfb4f1b

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,326

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dAbu', 'meL', 'L', 'dP', 'meY']

41

2327

-4.79

Circle

2

-2.23e-16

-2.72443544

-2.15e-16

-2.873827267

-1.17e-16

-1.135669326

6.95e-16

-0.249287767

3.7685071

3914.01822

116.0

null

92.59941163

87.04101961

25.04101961

48.95103559

43.55925326

12.75657778

8.803731301

5.391621508

3.304169965

null

274.9322695

22.01430394

28.7672231

0

5.108808191

63.11533468

726.4679983

0.826923077

1.384615385

1.961538462

0.692307692

114.0

PEPTIDE2327{L.[Me_dAbu].[meL].L.[dP].[meY]}$PEPTIDE2327,PEPTIDE2327,1:R1-6:R2$$$

PEPTIDE2327{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2327,PEPTIDE2327,1:R1-6:R2$$$

-4.16

52

664.464

2327

null

2.6299999999999998e+35

8.391326645

18.55095321

10.46646001

396.6762105

null

16.57250504

0.507966645

16.57250504

0.29309207

1.812663863

0.29309207

-7.1987166

-0.507966645

2.9382

198.7372

726.96

Circle

6

null

3

13

null

0

2

1

0

1

7

3

13

0

20

0

2

290

1NMe3-2Abu(33)

-5.09

3.148404686

-1.026151162

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

60.04808224

73.56771137

100.9644345

13.70758556

null

-4.79

null

-4.79

null

3

CC[C@@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N1C

117.5744703

35.44307838

1.431199657

30.21926563

17.68187306

128.6810739

27.42434039

29.73312632

0

5.749511833

null

['L', 'Me_dAbu', 'meL', 'L', 'dP', 'meY']

[0.8193999999999995, 0.5255000000000001, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

17.68187306

172.6390005

24.16967483

2.823684157

0.0

0

2018_Naylor

2327

null

159.67

null

543.2955719

0.0

88.77502515

-1.61871573

-2.80386556

-47.94689422

-50.89225765

-44.10151673

-63.45734711

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.353075533

null

1e6d569173c02b770a8274b7c69bb4f94e2d300861788d4843360e5e50f57c0f

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,327

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'meL', 'L', 'dP', 'meY']

39

2328

-4.88

Circle

5

-2.73e-16

-2.736564284

-2.23e-16

-2.876464008

-1.04e-16

-1.136362017

1.69e-16

-0.24928777

3.881438201

4121.809889

120.0

null

97.59941163

92.04101961

26.04101961

51.45103559

46.05925326

13.25657778

9.178731301

5.516621508

3.422571664

null

287.6781193

24.75582106

28.7672231

0

5.108808191

65.8568518

754.4992985

0.759259259

1.259259259

1.814814815

0.707317073

118.0

PEPTIDE2328{L.[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE2328,PEPTIDE2328,1:R1-6:R2$$$

PEPTIDE2328{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2328,PEPTIDE2328,1:R1-6:R2$$$

-4.16

54

688.486

2328

null

5.2000000000000006e+38

8.561382025

19.43396197

11.42697649

415.0259768

null

17.00766616

0.507966645

17.00766616

0.29309207

1.857455529

0.29309207

-7.503943013

-0.507966645

3.5743

207.9012

755.014

Circle

6

null

3

13

null

0

2

1

0

1

7

3

13

0

22

0

2

302

1NMe3-6Tyr(34)

-5.52

2.143539337

-1.009728356

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

106.4474688

13.70758556

null

-4.88

null

-4.88

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

123.0575045

35.44307838

1.431199657

30.21926563

23.57583074

135.5329661

27.42434039

29.73312632

0

5.749511833

[['RRCK'], ['Caco2', 'RRCK'], ['PAMPA', 'RRCK'], ['Caco2'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA']]

[25, 32, 980, 999, 1018, 1027, 1030, 1056, 1827]

[['-5.31'], ['-5.31', '-5.31'], ['-5.52', '-5.31'], ['-4.75'], ['-4.50', '-4.96'], ['-4.40', '-4.70'], ['-6.00'], ['-6.24', '-4.80'], ['-6.40']]

['2011_White', '2012_Rand', '2015_Bockus_1', '2015_Hewitt', '2015_Lewis', '2015_Marelli', '2015_Nielsen', '2015_Wang', '2016_Hickey']

['L', 'Me_dL', 'meL', 'L', 'dP', 'meY']

[0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

23.57583074

184.9739269

24.16967483

2.823684157

0.0

0

2018_Naylor

25

null

159.67

null

582.2023772

0.0

89.70782057

-1.813002853

-2.870125422

-55.52934034

-52.22939965

-45.30761639

-70.41071309

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.329549016

null

4330e0bc8a17a30a18f97c6b9fa959486590850430d7df11673be1ea2380c72b

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,328

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dF', 'meL', 'L', 'dP', 'meY']

39

2329

-5.16

Circle

5

-2.54e-16

-2.721450599

-9.4e-17

-2.875427997

-3.87e-17

-1.135659322

1.4e-15

-0.249287767

3.168131695

4407.133439

121.0

null

97.56351324

91.54101961

27.54101961

52.37646207

46.05925326

14.25657778

9.803731301

6.016621508

3.735071664

null

303.8559225

24.75582106

28.7672231

0

5.108808191

63.11533468

788.4836484

0.736842105

1.263157895

1.859649123

0.590909091

123.0

PEPTIDE2329{L.[Me_dF].[meL].L.[dP].[meY]}$PEPTIDE2329,PEPTIDE2329,1:R1-6:R2$$$

PEPTIDE2329{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2329,PEPTIDE2329,1:R1-6:R2$$$

-4.94

57

724.519

2329

null

2.84e+39

9.57489518

19.96325386

11.57059312

428.1783036

null

17.13724225

0.507966645

17.13724225

0.29309207

1.829743052

0.29309207

-7.263150599

-0.507966645

3.7709

218.5922

789.031

Circle

6

null

3

13

null

0

2

0

2

7

3

13

0

20

0

2

312

1NMe3-2F(35)

-5.8

2.63418008

0.459112227

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

83.40828366

72.75823796

103.2250838

20.56137834

null

-5.16

null

-5.16

null

4

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O

120.3159874

35.44307838

1.431199657

30.21926563

17.68187306

121.8291818

27.42434039

65.50867135

0

5.749511833

null

['L', 'Me_dF', 'meL', 'L', 'dP', 'meY']

[0.8193999999999995, 1.3581999999999996, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

41.51307291

17.68187306

167.7191521

54.38176837

2.823684157

0.0

0

2018_Naylor

2329

null

159.67

null

569.9845133

0.0

90.702285

-1.60704857

-5.760270022

-48.22978226

-62.65342012

-44.25187122

-58.18440616

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

2

0

1

0

1

0

0.330803581

null

6a88f6920927a8192756e29549059a8e10baca0365ad958d680f11dbe8550218

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,330

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dAbu', 'Me_Cha', 'Cha', 'dP', 'meY']

46

2331

-5.9

Circle

4

-2.72e-16

-2.830767664

-2.53e-16

-2.878135378

-1.31e-16

-1.174396643

4.3e-16

-0.24918574

2.705469387

4581.060501

111.0

null

103.5994116

98.04101961

28.04101961

54.95103559

49.55925326

14.75657778

10.0537313

6.391621508

3.929169965

null

311.2539501

30.23885528

28.7672231

0

5.108808191

65.8568518

806.5305986

0.775862069

1.379310345

2.0

0.733333333

111.0

PEPTIDE2331{L.[Me_dAbu].[Me_Cha].[Cha].[dP].[meY]}$PEPTIDE2331,PEPTIDE2331,1:R1-6:R2$$$

PEPTIDE2331{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dAbu/">[Me_dAbu]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2331,PEPTIDE2331,1:R1-6:R2$$$

-4.16

58

736.53

2331

null

1.14e+43

9.198079209

20.69248334

11.10593246

444.0939649

null

17.21267299

0.507966645

17.21267299

0.29309207

1.875270669

0.29309207

-7.611442176

-0.507966645

4.7868

222.2112

807.09

Circle

6

null

3

13

null

2

4

1

0

1

7

3

13

0

16

2

4

322

1NMe3-2Abu34Cha6Y(37)

-6.67

1.372497482

-0.483303432

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

96.36976278

73.56771137

111.930503

13.70758556

null

-5.9

null

-5.9

null

5

CC[C@@H]1C(=O)N(C)[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N1C

128.5405387

35.44307838

1.431199657

30.21926563

17.68187306

165.0027545

27.42434039

29.73312632

0

5.749511833

null

['L', 'Me_dAbu', 'Me_Cha', 'Cha', 'dP', 'meY']

[0.8193999999999995, 0.5255000000000001, 2.0859, 1.7436999999999996, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

17.68187306

219.9267495

24.16967483

2.823684157

0.0

0

2018_Naylor

2331

null

159.67

null

631.1127113

0.0

90.99835073

-1.905185734

-2.890991457

-50.27064182

-52.75945801

-103.1440024

-42.39078266

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.323959213

null

b927416831c3908cc42ec47fcebb7e35d05d1b2c90bb339d090eee99dfdddf3c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,331

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dNva', 'Me_Cha', 'Cha', 'dP', 'meY']

46

2332

-6.22

Circle

7

-2.7e-16

-2.830850013

-2.69e-16

-2.878738087

-1.91e-16

-1.174396975

3.03e-16

-0.249284558

2.742554709

4695.759674

117.0

null

106.0994116

100.5410196

28.54101961

56.20103559

50.80925326

15.00657778

10.1787313

6.454121508

3.988370814

null

317.626875

32.98037239

28.7672231

0

5.108808191

65.8568518

820.5462486

0.779661017

1.389830508

2.016949153

0.739130435

117.0

PEPTIDE2332{L.[Me_dNva].[Me_Cha].[Cha].[dP].[meY]}$PEPTIDE2332,PEPTIDE2332,1:R1-6:R2$$$

PEPTIDE2332{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dNva/">[Me_dNva]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2332,PEPTIDE2332,1:R1-6:R2$$$

-4.16

59

748.541

2332

null

3.2400000000000002e+44

9.285952924

21.38592945

11.77719871

453.268848

null

17.31896929

0.507966645

17.31896929

0.29309207

1.897666502

0.29309207

-7.710692814

-0.507966645

5.1769

226.8282

821.117

Circle

6

null

3

13

null

2

4

1

0

1

7

3

13

0

17

2

4

328

1NMe3-2Nva34Cha6Y(38)

-7.18

1.061010612

-0.392058397

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

102.7426877

73.56771137

114.6720201

13.70758556

null

-6.22

null

-6.22

null

5

CCC[C@@H]1C(=O)N(C)[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N1C

131.2820558

35.44307838

1.431199657

30.21926563

17.68187306

171.3756794

27.42434039

29.73312632

0

5.749511833

null

['L', 'Me_dNva', 'Me_Cha', 'Cha', 'dP', 'meY']

[0.8193999999999995, 0.9156, 2.0859, 1.7436999999999996, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

17.68187306

229.0411915

24.16967483

2.823684157

0.0

0

2018_Naylor

2332

null

159.67

null

650.647722

0.0

91.46474844

-2.002329296

-2.924121388

-50.88381357

-53.42802901

-110.3623642

-42.51181297

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.29368549

null

28fa70a302897a542bd455d521939fbdcb29a3cfe310eee3eb043b58b20b1f2f

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,332

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'Me_dL', 'Me_Cha', 'Cha', 'dP', 'meY']

44

2333

-6.5

Circle

3

-2.78e-16

-2.830997287

-2.57e-16

-2.880479528

-2.31e-16

-1.174397987

3.6e-16

-0.249287767

2.782210743

4793.291518

127.0

null

108.5994116

103.0410196

29.04101961

57.45103559

52.05925326

15.25657778

10.4287313

6.516621508

4.047571664

null

323.9997999

34.35113095

28.7672231

0

5.108808191

67.22761035

834.5618987

0.716666667

1.283333333

1.9

0.744680851

128.0

PEPTIDE2333{L.[Me_dL].[Me_Cha].[Cha].[dP].[meY]}$PEPTIDE2333,PEPTIDE2333,1:R1-6:R2$$$

PEPTIDE2333{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE2333,PEPTIDE2333,1:R1-6:R2$$$

-4.16

60

760.552

2333

null

1.28e+46

9.3749389

21.57387364

12.01811491

462.4437311

null

17.51574497

0.507966645

17.51574497

0.29309207

1.920062336

0.29309207

-7.809943452

-0.507966645

5.4229

231.3752

835.144

Circle

6

null

3

13

null

2

4

1

0

1

7

3

13

0

18

2

4

334

1NMe3-34Cha6Y(39)

-7.13

0.490085672

-0.458177176

35.32807382

41.85686664

2.823684157

35.44307838

1.431199657

0.0

28.7672231

0.0

103.2216549

79.46166906

117.4135372

13.70758556

null

-6.5

null

-6.5

null

5

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O

134.0235729

35.44307838

1.431199657

30.21926563

23.57583074

171.8546466

27.42434039

29.73312632

0

5.749511833

null

['L', 'Me_dL', 'Me_Cha', 'Cha', 'dP', 'meY']

[0.8193999999999995, 1.1616, 2.0859, 1.7436999999999996, 0.2794999999999998, 1.0637999999999996]

[29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006]

10.61962671

0.0

5.749511833

0.0

125.1144203

35.14014801

23.57583074

232.2616759

24.16967483

2.823684157

0.0

0

2018_Naylor

2333

null

159.67

null

670.7556494

0.0

91.93114615

-2.099472857

-2.957251319

-58.01962347

-54.09660001

-105.1604498

-49.1033981

0.0

1.0

2018

null

0

1

0

6

0

4

2

0

3

0

6

0

1

0

1

0

1

0

0.283989177

null

38b29553fe620f76ab50e976be0956cdcdee7d9deacfc8946594f99d4e58de01

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,334

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dAbu', 'A', 'L', 'dP', 'F']

34

2335

-5.53

Circle

9

-1.5e-16

-2.692631579

-1.48e-16

-2.886840859

-1.54e-16

-1.134691419

1.08e-15

-0.249287762

3.33392386

3259.767

127.0

null

76.89230485

71.63277132

21.63277132

41.02905619

35.86770122

11.13163324

7.428786763

4.406111802

2.667149593

null

236.4086319

8.224551337

28.7672231

0

0.0

60.51879408

626.3791833

0.866666667

1.466666667

2.133333333

0.636363636

125.0

PEPTIDE2335{L.[dAbu].A.L.[dP].F}$PEPTIDE2335,PEPTIDE2335,1:R1-6:R2$$$

PEPTIDE2335{<a href="/monomers/L/">L</a>.<a href="/monomers/dAbu/">[dAbu]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2335,PEPTIDE2335,1:R1-6:R2$$$

-3.96

45

576.399

2335

null

7.35e+24

7.600743666

16.37889644

10.02053407

336.2902633

null

15.82511412

0.342806843

15.82511412

0.245339623

1.646762755

0.245339623

-6.420284469

-0.342806843

1.1798

169.4095

626.799

Circle

6

null

5

12

null

0

2

1

0

1

6

5

12

0

13

0

2

248

1NMe3perNH-2Abu3Ala6F(41)

-6.14

5.468866252

-0.668671706

31.4489765

36.10735481

7.059210392

35.44307838

0.0

28.7672231

0.0

64.47155412

56.06788349

59.4755755

15.07834412

null

-5.53

null

-5.53

null

3

CC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O

97.51056852

35.44307838

0.0

31.4489765

11.78791537

115.4562569

6.496859684

35.77554503

0

0.0

null

['L', 'dAbu', 'A', 'L', 'dP', 'F']

[0.8193999999999995, 0.1833, -0.2068000000000003, 0.8193999999999995, 0.2794999999999998, 1.0159999999999998]

[29.1, 29.1, 29.1, 29.1, 20.31, 29.1]

26.54906677

0.0

82.9472026

35.14014801

11.78791537

140.2235637

30.21209354

7.059210392

0.0

0

2018_Naylor

2335

null

165.81

null

427.5736252

0.0

90.93697801

-11.63988408

-2.486558097

-35.76176668

-47.04198173

-34.3725538

-36.95785878

0.0

1.0

2018

null

0

6

0

1

5

0

6

0

1

0

1

0

0.304960271

null

d082b26221971e20cddd4d480e53d3d71315be0b8c73162f5c708b3443f9b2e8

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,335

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dAbu', 'Abu', 'L', 'dP', 'F']

36

2336

-5.39

Circle

2

-2.39e-16

-2.695113965

-1.37e-16

-2.888864618

-1.23e-16

-1.134693934

6.43e-16

-0.249287762

3.391932882

3369.563941

143.0

null

79.39230485

74.13277132

22.13277132

42.27905619

37.11770122

11.38163324

7.553786763

4.524513502

2.748566811

null

242.7815568

9.595309893

28.7672231

0

0.0

61.88955264

640.3948334

0.804347826

1.304347826

1.891304348

0.647058824

141.0

PEPTIDE2336{L.[dAbu].[Abu].L.[dP].F}$PEPTIDE2336,PEPTIDE2336,1:R1-6:R2$$$

PEPTIDE2336{<a href="/monomers/L/">L</a>.<a href="/monomers/dAbu/">[dAbu]</a>.<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2336,PEPTIDE2336,1:R1-6:R2$$$

-3.96

46

588.41

2336

null

2e+26

7.676674189

17.09432322

10.02026403

345.4651464

null

15.95778194

0.342532577

15.95778194

0.245339625

1.664651174

0.245339625

-6.522231058

-0.342532577

1.5699

174.0265

640.826

Circle

6

null

5

12

null

0

2

1

0

1

6

5

12

0

14

0

2

254

1NMe3perNH-23Abu6F(42)

-5.87

4.970391606

-0.535027072

31.4489765

36.10735481

7.059210392

35.44307838

0.0

28.7672231

0.0

71.32344624

55.58891627

62.21709261

15.07834412

null

-5.39

null

-5.39

null

3

CC[C@@H]1NC(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O

100.2520856

35.44307838

0.0

31.4489765

11.78791537

121.8291818

6.496859684

35.77554503

0

0.0

null

['L', 'dAbu', 'Abu', 'L', 'dP', 'F']

[0.8193999999999995, 0.1833, 0.1833, 0.8193999999999995, 0.2794999999999998, 1.0159999999999998]

[29.1, 29.1, 29.1, 29.1, 20.31, 29.1]

26.54906677

0.0

82.9472026

35.14014801

11.78791537

149.3380057

30.21209354

7.059210392

0.0

0

2018_Naylor

2336

null

165.81

null

446.1290388

0.0

91.80091011

-11.99799189

-2.511869888

-36.41077763

-47.85481156

-40.56228318

-37.09221474

0.0

1.0

2018

null

0

6

0

1

5

0

6

0

1

0

1

0

0.289439914

null

799c6a4e7027af05db15a1594b3a8d6d078a5065ccf2442b2910ec739104819c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,336

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dL', 'Abu', 'L', 'dP', 'F']

34

2337

-5.12

Circle

9

-2.59e-16

-2.707285469

-1.83e-16

-2.892024021

-1.54e-16

-1.135358077

4.48e-16

-0.249287767

3.492027294

3572.992334

125.0

null

84.39230485

79.13277132

23.13277132

44.77905619

39.61770122

11.88163324

7.928786763

4.649513502

2.86696851

null

255.5274066

13.78975261

28.7672231

0

0.0

63.17814415

668.4261335

0.770833333

1.25

1.8125

0.666666667

126.0

PEPTIDE2337{L.[dL].[Abu].L.[dP].F}$PEPTIDE2337,PEPTIDE2337,1:R1-6:R2$$$

PEPTIDE2337{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2337,PEPTIDE2337,1:R1-6:R2$$$

-3.96

48

612.432

2337

null

1.07e+30

7.835215318

17.98194281

11.05256943

363.8149126

null

16.08087119

0.342532257

16.08087119

0.245339625

1.709442841

0.245339625

-6.726897787

-0.342532257

2.206

183.1905

668.88

Circle

6

null

5

12

null

0

2

1

0

1

6

5

12

0

16

0

2

266

1NMe3perNH-3Abu6F(43)

-5.37

4.147058978

-0.557635498

31.4489765

36.10735481

7.059210392

35.44307838

0.0

28.7672231

0.0

78.17533836

61.48287396

67.70012683

15.07834412

null

-5.12

null

-5.12

null

3

CC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O

105.7351199

35.44307838

0.0

31.4489765

17.68187306

128.6810739

6.496859684

35.77554503

0

0.0

null

['L', 'dL', 'Abu', 'L', 'dP', 'F']

[0.8193999999999995, 0.8193999999999995, 0.1833, 0.8193999999999995, 0.2794999999999998, 1.0159999999999998]

[29.1, 29.1, 29.1, 29.1, 20.31, 29.1]

26.54906677

0.0

82.9472026

35.14014801

17.68187306

161.6729321

30.21209354

7.059210392

0.0

0

2018_Naylor

2337

null

165.81

null

483.5151559

0.0

93.15573567

-12.61246416

-2.57812975

-43.34057707

-49.23674522

-41.76838284

-43.13459252

0.0

1.0

2018

null

0

6

0

1

5

0

6

0

1

0

1

0

0.270773366

null

ddba8d7e1b5ae7a71cdf7fecde4bbbc90f93cea933fb1bdbe37bc7500c92efb6

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,337

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dL', 'L', 'L', 'dP', 'F']

32

2338

-5.06

Circle

3

-2.83e-16

-2.716756565

-2.58e-16

-2.894587319

-2.95e-16

-1.135790365

2.01e-16

-0.24928777

3.593592708

3778.141133

149.0

null

89.39230485

84.13277132

24.13277132

47.27905619

42.11770122

12.38163324

8.303786763

4.774513502

2.98537021

null

268.2732564

20.76679595

28.7672231

0

0.0

61.68413503

696.4574336

0.7

1.1

1.56

0.684210526

146.0

PEPTIDE2338{L.[dL].L.L.[dP].F}$PEPTIDE2338,PEPTIDE2338,1:R1-6:R2$$$

PEPTIDE2338{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2338,PEPTIDE2338,1:R1-6:R2$$$

-3.96

50

636.454

2338

null

1.46e+34

8.001343729

18.8696738

12.12105808

382.1646788

null

16.29346378

0.342510744

16.29346378

0.245339625

1.741696355

0.245339625

-6.925399062

-0.342510744

2.8421

192.3545

696.934

Circle

6

null

5

12

null

0

2

1

0

1

6

5

12

0

18

0

2

278

1NMe3perNH-6F(44)

-4.99

3.208314661

-0.508217509

31.4489765

36.10735481

7.059210392

35.44307838

0.0

28.7672231

0.0

85.02723048

67.37683164

73.18316106

15.07834412

null

-5.06

null

-5.06

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O

111.2181541

35.44307838

0.0

31.4489765

23.57583074

135.5329661

6.496859684

35.77554503

0

0.0

null

['L', 'dL', 'L', 'L', 'dP', 'F']

[0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.0159999999999998]

[29.1, 29.1, 29.1, 29.1, 20.31, 29.1]

26.54906677

0.0

82.9472026

35.14014801

23.57583074

174.0078584

30.21209354

7.059210392

0.0

0

2018_Naylor

2338

null

165.81

null

521.3104232

0.0

94.47757936

-13.19395456

-2.622921417

-50.53102712

-50.54093756

-43.00701435

-49.39214751

0.0

1.0

2018

null

0

6

0

1

5

0

6

0

1

0

1

0

0.252518118

null

26198ebee8879cc4e6f0fb3ca9654e8777dbeca08b160dd659ae6ebf8b62664d

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,338

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dA', 'Cha', 'Cha', 'dP', 'F']

36

2339

-5.39

Circle

2

-2.6e-16

-2.828610286

-1.93e-16

-2.892589631

-2.29e-16

-1.174288232

4.23e-16

-0.247908637

2.476541372

4119.249137

130.0

null

92.89230485

87.63277132

25.63277132

49.52905619

44.36770122

13.63163324

9.053786763

5.531111802

3.410551293

null

285.4761622

24.8379881

28.7672231

0

0.0

60.35445999

734.4730837

0.735849057

1.301886792

1.943396226

0.707317073

158.0

PEPTIDE2339{L.[dA].[Cha].[Cha].[dP].F}$PEPTIDE2339,PEPTIDE2339,1:R1-6:R2$$$

PEPTIDE2339{<a href="/monomers/L/">L</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2339,PEPTIDE2339,1:R1-6:R2$$$

-3.96

53

672.487

2339

null

4.71e+36

8.551823184

19.39120531

11.51458759

402.0577839

null

16.73141796

0.342806523

16.73141796

0.245340001

1.734199703

0.245340001

-7.067254206

-0.342806523

3.6645

202.0475

734.983

Circle

6

null

5

12

null

2

4

1

0

1

6

5

12

0

11

2

4

292

1NMe3perNH-2Ala34Cha6F(45)

-5.34

2.682697381

-0.072747556

31.4489765

36.10735481

7.059210392

35.44307838

0.0

28.7672231

0.0

107.6451268

61.96184117

75.92467817

15.07834412

null

-5.39

null

-5.39

null

5

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](C)NC1=O

113.9596712

35.44307838

0.0

31.4489765

17.68187306

158.6298296

6.496859684

35.77554503

0

0.0

null

['L', 'dA', 'Cha', 'Cha', 'dP', 'F']

[0.8193999999999995, -0.2068000000000003, 1.7436999999999996, 1.7436999999999996, 0.2794999999999998, 1.0159999999999998]

[29.1, 29.1, 29.1, 29.1, 20.31, 29.1]

26.54906677

0.0

82.9472026

35.14014801

17.68187306

199.8462391

30.21209354

7.059210392

0.0

0

2018_Naylor

2339

null

165.81

null

550.5054336

0.0

94.85955982

-12.8953725

-2.605334743

-44.86824759

-50.22933483

-92.08727894

-22.42942481

0.0

1.0

2018

null

0

6

0

1

5

0

6

0

1

0

1

0

0.273647257

null

7702697926f28facf18040ae21cafa5d9f2189e5d2a27d76c428286580af8a3b

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,339

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dL', 'Cha', 'L', 'dP', 'F']

34

2340

-5.02

Circle

6

-2.56e-16

-2.823171549

-2.64e-16

-2.896602244

-2.21e-16

-1.173924574

-6.81e-18

-0.249287767

2.994282212

4108.4813

130.0

null

94.89230485

89.63277132

25.63277132

50.27905619

45.11770122

13.38163324

8.928786763

5.274513502

3.29787021

null

286.4340967

30.36210585

28.7672231

0

0.0

57.57185936

736.4887338

0.698113208

1.188679245

1.773584906

0.707317073

133.0

PEPTIDE2340{L.[dL].[Cha].L.[dP].F}$PEPTIDE2340,PEPTIDE2340,1:R1-6:R2$$$

PEPTIDE2340{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2340,PEPTIDE2340,1:R1-6:R2$$$

-3.96

53

672.487

2340

null

2.5099999999999997e+37

8.405063884

19.92581509

12.56037645

405.873556

null

16.54912394

0.342510744

16.54912394

0.245339625

1.768329556

0.245339625

-7.192470653

-0.342510744

3.7664

204.0915

736.999

Circle

6

null

5

12

null

1

2

3

1

0

1

6

5

12

0

16

1

2

3

294

1NMe3perNH-3Cha6F(46)

-5.06

2.177860458

-0.249921434

31.4489765

36.10735481

7.059210392

35.44307838

0.0

28.7672231

0.0

103.1880707

67.37683164

78.66619528

15.07834412

null

-5.02

null

-5.02

null

4

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](CC(C)C)NC1=O

116.7011883

35.44307838

0.0

31.4489765

23.57583074

153.6938063

6.496859684

35.77554503

0

0.0

null

['L', 'dL', 'Cha', 'L', 'dP', 'F']

[0.8193999999999995, 0.8193999999999995, 1.7436999999999996, 0.8193999999999995, 0.2794999999999998, 1.0159999999999998]

[29.1, 29.1, 29.1, 29.1, 20.31, 29.1]

26.54906677

0.0

82.9472026

35.14014801

23.57583074

197.6517329

30.21209354

7.059210392

0.0

0

2018_Naylor

2340

null

165.81

null

564.6441453

0.0

95.80702908

-13.56003423

-2.658895022

-51.77251323

-51.47747741

-71.73776775

-38.99448674

0.0

1.0

2018

null

0

6

0

1

5

0

6

0

1

0

1

0

0.245536038

null

23ce54afc1ab0ac0d812fbdd735aabe1b076bf124e424aac571063099fe8fb5d

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,341

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dNva', 'Cha', 'Cha', 'dP', 'F']

38

2342

-5.46

Circle

1

-2.54e-16

-2.82872884

-2.8e-16

-2.895671681

-1.9e-16

-1.174288517

1.29e-16

-0.249284563

2.557267865

4345.936249

127.0

null

97.89230485

92.63277132

26.63277132

52.02905619

46.86770122

14.13163324

9.303786763

5.712013502

3.55116936

null

298.222012

28.99134729

28.7672231

0

0.0

61.68413503

762.5043838

0.727272727

1.272727273

1.927272727

0.720930233

124.0

PEPTIDE2342{L.[dNva].[Cha].[Cha].[dP].F}$PEPTIDE2342,PEPTIDE2342,1:R1-6:R2$$$

PEPTIDE2342{<a href="/monomers/L/">L</a>.<a href="/monomers/dNva/">[dNva]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2342,PEPTIDE2342,1:R1-6:R2$$$

-3.96

55

696.509

2342

null

5.9e+39

8.723433158

20.81296758

12.26370578

420.4075501

null

16.86562099

0.342521538

16.86562099

0.245340001

1.781907328

0.245340001

-7.2362177

-0.342521538

4.4447

211.2815

763.037

Circle

6

null

5

12

null

2

4

1

0

1

6

5

12

0

13

2

4

304

1NMe3perNH-2Nva34Cha6F(48)

-5.53

2.060655746

0.080817702

31.4489765

36.10735481

7.059210392

35.44307838

0.0

28.7672231

0.0

120.8699438

61.48287396

81.40771239

15.07834412

null

-5.46

null

-5.46

null

5

CCC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC1=O

119.4427054

35.44307838

0.0

31.4489765

17.68187306

171.3756794

6.496859684

35.77554503

0

0.0

null

['L', 'dNva', 'Cha', 'Cha', 'dP', 'F']

[0.8193999999999995, 0.5733999999999999, 1.7436999999999996, 1.7436999999999996, 0.2794999999999998, 1.0159999999999998]

[29.1, 29.1, 29.1, 29.1, 20.31, 29.1]

26.54906677

0.0

82.9472026

35.14014801

17.68187306

218.0751231

30.21209354

7.059210392

0.0

0

2018_Naylor

2342

null

165.81

null

588.7661408

0.0

96.4219138

-13.58172555

-2.676917383

-46.18832959

-51.77977789

-105.9635302

-22.24777398

0.0

1.0

2018

null

0

6

0

1

5

0

6

0

1

0

1

0

0.236562057

null

242ab4a6a83f3d36644de432216225a9a13ca2437884fe33606ab212471997c7

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,342

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dL', 'Cha', 'Cha', 'dP', 'F']

36

2343

-5.64

Circle

1

-2.98e-16

-2.828803647

-2.74e-16

-2.897797166

-2.14e-16

-1.174289002

6.77e-17

-0.249287767

2.595624187

4442.322572

133.0

null

100.3923048

95.13277132

27.13277132

53.27905619

48.11770122

14.38163324

9.553786763

5.774513502

3.61037021

null

304.5949369

31.7328644

28.7672231

0

0.0

61.68413503

776.5200339

0.660714286

1.125

1.678571429

0.727272727

133.0

PEPTIDE2343{L.[dL].[Cha].[Cha].[dP].F}$PEPTIDE2343,PEPTIDE2343,1:R1-6:R2$$$

PEPTIDE2343{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE2343,PEPTIDE2343,1:R1-6:R2$$$

-3.96

56

708.52

2343

null

2.71e+41

8.811200914

20.98508566

12.52021016

429.5824332

null

16.92716562

0.342510744

16.92716562

0.245340001

1.804303161

0.245340001

-7.335468338

-0.342510744

4.6907

215.8285

777.064

Circle

6

null

5

12

null

2

4

1

0

1

6

5

12

0

14

2

4

310

1NMe3perNH-34Cha6F(49)

-5.8

1.467991488

0.027953408

31.4489765

36.10735481

7.059210392

35.44307838

0.0

28.7672231

0.0

121.348911

67.37683164

84.14922951

15.07834412

null

-5.64

null

-5.64

null

5

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](CC(C)C)NC1=O

122.1842225

35.44307838

0.0

31.4489765

23.57583074

171.8546466

6.496859684

35.77554503

0

0.0

null

['L', 'dL', 'Cha', 'Cha', 'dP', 'F']

[0.8193999999999995, 0.8193999999999995, 1.7436999999999996, 1.7436999999999996, 0.2794999999999998, 1.0159999999999998]

[29.1, 29.1, 29.1, 29.1, 20.31, 29.1]

26.54906677

0.0

82.9472026

35.14014801

23.57583074

221.2956074

30.21209354

7.059210392

0.0

0

2018_Naylor

2343

null

165.81

null

608.3356249

0.0

97.09932658

-13.88896168

-2.710047314

-52.95870344

-52.47074472

-101.104656

-28.30183833

0.0

1.0

2018

null

0

6

0

1

5

0

6

0

1

0

1

0

0.231477818

null

d49fe61edc6b219b794caa00089652ded43131ff5b3fe0880c9c87d22e49602c

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,343

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dA', 'L', 'L', 'dP', 'Y']

32

2344

-6.09

Circle

5

-1.35e-16

-2.705552476

-1e-16

-2.888958656

-7.44e-17

-1.135355183

9.19e-16

-0.249287767

3.425191186

3484.79818

151.0

null

82.59941163

77.04101961

23.04101961

44.06706099

38.48007366

11.83575739

8.007910908

4.633173875

2.836582329

null

248.8615748

11.00715197

28.7672231

0

5.108808191

63.27966877

670.4053981

0.833333333

1.354166667

1.9375

0.657142857

150.0

PEPTIDE2344{L.[dA].L.L.[dP].Y}$PEPTIDE2344,PEPTIDE2344,1:R1-6:R2$$$

PEPTIDE2344{<a href="/monomers/L/">L</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2344,PEPTIDE2344,1:R1-6:R2$$$

-4.16

48

616.42

2344

null

7e+28

8.071612888

17.30028149

10.94767979

359.5209335

null

16.11679595

0.507966645

16.11679595

0.29309207

1.666963267

0.29309207

-6.664785543

-0.507966645

1.5215

180.2383

670.852

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

16

0

2

266

1NMe3perNH-2Ala6Y(50)

-6.51

3.720882287

-1.441606815

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

53.19619012

74.04667859

64.95860972

13.70758556

null

-6.09

null

-6.09

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC1=O

106.7316524

35.44307838

1.431199657

31.4489765

17.68187306

122.308149

6.496859684

29.73312632

0

5.749511833

null

['L', 'dA', 'L', 'L', 'dP', 'Y']

[0.8193999999999995, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996]

[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

17.68187306

151.1877315

24.16967483

7.059210392

0.0

0

2018_Naylor

2344

null

186.04

null

464.6169714

0.0

92.36801318

-8.280297435

-2.550801438

-44.36568684

-46.87802998

-35.55646766

-43.10370123

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.242097563

null

89492c21e76dced0f97f84b795d8bdd8bb8e1624d5c7feb27d94e1544ea20864

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,344

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dAbu', 'L', 'L', 'dP', 'Y']

34

2345

-6.04

Circle

8

-1.83e-16

-2.707648816

-1.42e-16

-2.891477214

-6.29e-17

-1.135357409

8.74e-16

-0.249287767

3.491951898

3595.605131

142.0

null

85.09941163

79.54101961

23.54101961

45.31706099

39.73007366

12.08575739

8.132910908

4.751575574

2.917999547

null

255.2344997

12.37791053

28.7672231

0

5.108808191

64.65042733

684.4210481

0.816326531

1.306122449

1.857142857

0.666666667

141.0

PEPTIDE2345{L.[dAbu].L.L.[dP].Y}$PEPTIDE2345,PEPTIDE2345,1:R1-6:R2$$$

PEPTIDE2345{<a href="/monomers/L/">L</a>.<a href="/monomers/dAbu/">[dAbu]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2345,PEPTIDE2345,1:R1-6:R2$$$

-4.16

49

628.431

2345

null

6.86e+30

8.148591732

18.00928983

11.45836509

368.6958166

null

16.18945435

0.507966645

16.18945435

0.29309207

1.692275058

0.29309207

-6.73135789

-0.507966645

1.9116

184.8553

684.879

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

17

0

2

272

1NMe3perNH-2Abu6Y(51)

-6.26

3.36383741

-1.355904327

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

60.04808224

73.56771137

67.70012683

13.70758556

null

-6.04

null

-6.04

null

3

CC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O

109.4731695

35.44307838

1.431199657

31.4489765

17.68187306

128.6810739

6.496859684

29.73312632

0

5.749511833

null

['L', 'dAbu', 'L', 'L', 'dP', 'Y']

[0.8193999999999995, 0.1833, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996]

[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

17.68187306

160.3021735

24.16967483

7.059210392

0.0

0

2018_Naylor

2345

null

186.04

null

483.4641007

0.0

93.25295437

-8.660325808

-2.589254147

-45.12030472

-47.71219442

-41.89925223

-43.23572372

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.229405865

null

665a7c1f84e36b6e6d1d766cfc80a62809e57548c1e1083084d5646566301d92

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,345

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dL', 'L', 'L', 'dP', 'Y']

32

2346

-5.87

Circle

3

-1.99e-16

-2.716753673

-1.71e-16

-2.89458429

-1.1e-16

-1.135790365

5.29e-16

-0.24928777

3.600346506

3800.979834

157.0

null

90.09941163

84.54101961

24.54101961

47.81706099

42.23007366

12.58575739

8.507910908

4.876575574

3.036401246

null

267.9803495

23.50831307

28.7672231

0

5.108808191

59.00305902

712.4523483

0.745098039

1.156862745

1.607843137

0.684210526

155.0

PEPTIDE2346{L.[dL].L.L.[dP].Y}$PEPTIDE2346,PEPTIDE2346,1:R1-6:R2$$$

PEPTIDE2346{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2346,PEPTIDE2346,1:R1-6:R2$$$

-4.16

51

652.453

2346

null

2.9e+34

8.308622705

18.89589014

12.53381155

387.0455828

null

16.3125436

0.507966645

16.3125436

0.29309207

1.737066725

0.29309207

-6.935655976

-0.507966645

2.5477

194.0193

712.933

Circle

6

null

6

13

null

0

2

1

0

1

7

6

13

0

19

0

2

284

1NMe3perNH(52)

-5.64

2.44360442

-1.286946541

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

66.89997435

79.46166906

73.18316106

13.70758556

null

-5.87

null

-5.87

null

3

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O

114.9562037

35.44307838

1.431199657

31.4489765

23.57583074

135.5329661

6.496859684

29.73312632

0

5.749511833

[['PAMPA'], ['RRCK'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2']]

[10, 23, 1017, 1049, 2456, 7452]

[['-8.10'], ['-5.74'], ['-6.55', '-5.70'], ['-5.91', '-5.91'], ['-6.52'], ['-5.60', '-5.18']]

['2006_Rezai_1', '2011_White', '2015_Lewis', '2015_Wang', '2020_Hosono', '2023_Ghosh']

['L', 'dL', 'L', 'L', 'dP', 'Y']

[0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996]

[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

172.6370999

24.16967483

7.059210392

0.0

0

2018_Naylor

10

null

186.04

null

521.3100972

0.0

94.60777993

-9.276643065

-2.655514009

-52.36769241

-49.04933642

-43.10535189

-49.46333938

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.215270438

null

5f63357c3d8b617dc7f32eadae3d2422775817ddfe03d7b692a71f4f20eb322f

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,346

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dA', 'Cha', 'Cha', 'dP', 'Y']

36

2347

-5.85

Circle

5

-1.96e-16

-2.828610271

-1.47e-16

-2.892586628

-1.16e-16

-1.174288232

1.17e-16

-0.247908695

2.480152808

4142.356854

162.0

null

93.59941163

88.04101961

26.04101961

50.06706099

44.48007366

13.83575739

9.257910908

5.633173875

3.461582329

null

285.1832554

24.8379881

28.7672231

0

5.108808191

60.41490109

750.4679983

0.777777778

1.351851852

1.981481481

0.707317073

156.0

PEPTIDE2347{L.[dA].[Cha].[Cha].[dP].Y}$PEPTIDE2347,PEPTIDE2347,1:R1-6:R2$$$

PEPTIDE2347{<a href="/monomers/L/">L</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2347,PEPTIDE2347,1:R1-6:R2$$$

-4.16

54

688.486

2347

null

1.5599999999999998e+37

8.859561893

19.43396197

11.42697649

406.9386879

null

16.75049778

0.507966645

16.75049778

0.29309207

1.729570073

0.29309207

-7.077511119

-0.507966645

3.3701

203.7123

750.982

Circle

6

null

6

13

null

2

4

1

0

1

7

6

13

0

12

2

4

298

1NMe3perNH-2Ala34Cha6Y(53)

-5.08

1.910487022

-0.867058431

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

89.51787066

74.04667859

75.92467817

13.70758556

null

-5.85

null

-5.85

null

5

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](C)NC1=O

117.6977208

35.44307838

1.431199657

31.4489765

17.68187306

158.6298296

6.496859684

29.73312632

0

5.749511833

null

['L', 'dA', 'Cha', 'Cha', 'dP', 'Y']

[0.8193999999999995, -0.2068000000000003, 1.7436999999999996, 1.7436999999999996, 0.2794999999999998, 0.7215999999999996]

[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

17.68187306

198.4754805

24.16967483

7.059210392

0.0

0

2018_Naylor

2347

null

186.04

null

550.5024002

0.0

94.98976039

-8.965189072

-2.637927335

-46.68943445

-48.74523033

-92.23365452

-22.47072493

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.235275565

null

3d3b00ca0a8dc0fc6f5ff16e6b6b8703c90a4bfd9351d17bafc9a88461e8bdb4

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,347

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dL', 'Cha', 'L', 'dP', 'Y']

34

2348

-5.75

Circle

3

-1.46e-16

-2.823171544

-1.57e-16

-2.896599535

-1.76e-16

-1.173924585

6.9e-16

-0.249287767

2.998727879

4131.613784

150.0

null

95.59941163

90.04101961

26.04101961

50.81706099

45.23007366

13.58575739

9.132910908

5.376575574

3.348901246

null

286.1411898

30.36210585

28.7672231

0

5.108808191

57.63230046

752.4836484

0.740740741

1.240740741

1.814814815

0.707317073

152.0

PEPTIDE2348{L.[dL].[Cha].L.[dP].Y}$PEPTIDE2348,PEPTIDE2348,1:R1-6:R2$$$

PEPTIDE2348{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2348,PEPTIDE2348,1:R1-6:R2$$$

-4.16

54

688.486

2348

null

2.61e+38

8.708557979

19.95677861

12.44403413

410.75446

null

16.56190373

0.507966645

16.56190373

0.29309207

1.763699926

0.29309207

-7.199587057

-0.507966645

3.472

205.7563

752.998

Circle

6

null

6

13

null

1

2

3

1

0

1

7

6

13

0

17

1

2

3

300

1NMe3perNH-3Cha6Y(54)

-5.09

1.416536869

-1.047004342

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

85.06081463

79.46166906

78.66619528

13.70758556

null

-5.75

null

-5.75

null

4

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](CC(C)C)NC1=O

120.4392379

35.44307838

1.431199657

31.4489765

23.57583074

153.6938063

6.496859684

29.73312632

0

5.749511833

null

['L', 'dL', 'Cha', 'L', 'dP', 'Y']

[0.8193999999999995, 0.8193999999999995, 1.7436999999999996, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996]

[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

196.2809744

24.16967483

7.059210392

0.0

0

2018_Naylor

2348

null

186.04

null

564.6536245

0.0

95.93722965

-9.638674488

-2.691487614

-53.63581171

-49.95924306

-71.86039842

-39.05523886

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.21135245

null

3fd24993504fe7523ca5553813a96596ef2a742ca94cd75f07ed4c401559dbf9

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,348

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dAbu', 'Cha', 'Cha', 'dP', 'Y']

38

2349

-5.84

Circle

3

-1.87e-16

-2.828686674

-1.63e-16

-2.894923998

-2.48e-16

-1.174288403

3.2e-16

-0.249183508

2.52545335

4255.615927

155.0

null

96.09941163

90.54101961

26.54101961

51.31706099

45.73007366

14.08575739

9.382910908

5.751575574

3.542999547

null

291.5561803

28.99134729

28.7672231

0

5.108808191

59.00305902

764.4836484

0.763636364

1.309090909

1.945454545

0.714285714

153.0

PEPTIDE2349{L.[dAbu].[Cha].[Cha].[dP].Y}$PEPTIDE2349,PEPTIDE2349,1:R1-6:R2$$$

PEPTIDE2349{<a href="/monomers/L/">L</a>.<a href="/monomers/dAbu/">[dAbu]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2349,PEPTIDE2349,1:R1-6:R2$$$

-4.16

55

700.497

2349

null

2.2400000000000002e+38

8.942034125

20.13513899

11.9159175

416.113571

null

16.82315619

0.507966645

16.82315619

0.29309207

1.754881865

0.29309207

-7.144083466

-0.507966645

3.7602

208.3293

765.009

Circle

6

null

6

13

null

2

4

1

0

1

7

6

13

0

13

2

4

304

1NMe3perNH-2Abu34Cha6Y(55)

-5.09

1.575441414

-0.775860223

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

96.36976278

73.56771137

78.66619528

13.70758556

null

-5.84

null

-5.84

null

5

CC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC1=O

120.4392379

35.44307838

1.431199657

31.4489765

17.68187306

165.0027545

6.496859684

29.73312632

0

5.749511833

null

['L', 'dAbu', 'Cha', 'Cha', 'dP', 'Y']

[0.8193999999999995, 0.1833, 1.7436999999999996, 1.7436999999999996, 0.2794999999999998, 0.7215999999999996]

[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

17.68187306

207.5899225

24.16967483

7.059210392

0.0

0

2018_Naylor

2349

null

186.04

null

569.7754333

0.0

95.87470159

-9.345217444

-2.676380044

-47.44405232

-49.57939477

-99.24359775

-22.36149252

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.221136625

null

faf5a34ee60e421da390ce7449acbaf51a89f12ca61825c6681b7509168eb2d5

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,349

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dNva', 'Cha', 'Cha', 'dP', 'Y']

38

2350

-5.86

Circle

5

-1.67e-16

-2.828728824

-1.09e-16

-2.895668934

-1.33e-16

-1.174288517

2.39e-16

-0.249284563

2.561026828

4369.246127

158.0

null

98.59941163

93.04101961

27.04101961

52.56706099

46.98007366

14.33575739

9.507910908

5.814075574

3.602200396

null

297.9291052

28.99134729

28.7672231

0

5.108808191

61.74457613

778.4992985

0.767857143

1.321428571

1.964285714

0.720930233

157.0

PEPTIDE2350{L.[dNva].[Cha].[Cha].[dP].Y}$PEPTIDE2350,PEPTIDE2350,1:R1-6:R2$$$

PEPTIDE2350{<a href="/monomers/L/">L</a>.<a href="/monomers/dNva/">[dNva]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2350,PEPTIDE2350,1:R1-6:R2$$$

-4.16

56

712.508

2350

null

3.7899999999999995e+39

9.026020093

20.84279489

12.16925161

425.2884541

null

16.88470081

0.507966645

16.88470081

0.29309207

1.777277698

0.29309207

-7.243334104

-0.507966645

4.1503

212.9463

779.036

Circle

6

null

6

13

null

2

4

1

0

1

7

6

13

0

14

2

4

310

1NMe3perNH-2Nva34Cha6Y(56)

-5.18

1.2999213

-0.714465016

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

102.7426877

73.56771137

81.40771239

13.70758556

null

-5.86

null

-5.86

null

5

CCC[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC1=O

123.1807551

35.44307838

1.431199657

31.4489765

17.68187306

171.3756794

6.496859684

29.73312632

0

5.749511833

null

['L', 'dNva', 'Cha', 'Cha', 'dP', 'Y']

[0.8193999999999995, 0.5733999999999999, 1.7436999999999996, 1.7436999999999996, 0.2794999999999998, 0.7215999999999996]

[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

17.68187306

216.7043645

24.16967483

7.059210392

0.0

0

2018_Naylor

2350

null

186.04

null

588.7800396

0.0

96.55211437

-9.653376073

-2.709509975

-48.05722407

-50.24796577

-106.1269012

-22.2871769

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.206094038

null

01208817b955d8603fc7865c0920fe74d20306c570a6afa35c92d1f88e758d2b

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,350

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['L', 'dL', 'Cha', 'Cha', 'dP', 'Y']

36

2351

-5.96

Circle

3

-2.29e-16

-2.828803631

-1.41e-16

-2.897794599

-2.35e-16

-1.174289002

-9.17e-17

-0.249287767

2.599444741

4465.730086

156.0

null

101.0994116

95.54101961

27.54101961

53.81706099

48.23007366

14.58575739

9.757910908

5.876575574

3.661401246

null

304.3020301

31.7328644

28.7672231

0

5.108808191

61.74457613

792.5149485

0.701754386

1.175438596

1.719298246

0.727272727

160.0

PEPTIDE2351{L.[dL].[Cha].[Cha].[dP].Y}$PEPTIDE2351,PEPTIDE2351,1:R1-6:R2$$$

PEPTIDE2351{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/Cha/">[Cha]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE2351,PEPTIDE2351,1:R1-6:R2$$$

-4.16

57

724.519

2351

null

4.92e+41

9.111403391

21.02011173

12.91849482

434.4633372

null

16.94624544

0.507966645

16.94624544

0.29309207

1.799673531

0.29309207

-7.342584742

-0.507966645

4.3963

217.4933

793.063

Circle

6

null

6

13

null

2

4

1

0

1

7

6

13

0

15

2

4

316

1NMe3perNH-34Cha6Y(57)

-5.36

0.71233344

-0.768411063

36.55778469

41.85686664

7.059210392

35.44307838

1.431199657

0.0

28.7672231

0.0

103.2216549

79.46166906

84.14922951

13.70758556

null

-5.96

null

-5.96

null

5

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](CC(C)C)NC1=O

125.9222722

35.44307838

1.431199657

31.4489765

23.57583074

171.8546466

6.496859684

29.73312632

0

5.749511833

null

['L', 'dL', 'Cha', 'Cha', 'dP', 'Y']

[0.8193999999999995, 0.8193999999999995, 1.7436999999999996, 1.7436999999999996, 0.2794999999999998, 0.7215999999999996]

[29.1, 29.1, 29.1, 29.1, 20.31, 49.33]

26.54906677

0.0

5.749511833

0.0

89.48721045

35.14014801

23.57583074

219.9248489

24.16967483

7.059210392

0.0

0

2018_Naylor

2351

null

186.04

null

608.3575626

0.0

97.22952715

-9.961534702

-2.742639906

-54.85797553

-50.91653677

-101.2600452

-28.34835765

0.0

1.0

2018

null

0

1

0

6

0

1

5

0

6

0

1

0

1

0

1

0

0.202887645

null

13494563e78af9a570a42d6a87c9ec9f249cbb9b5652af81929372952efd3b09

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,352

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['A', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)']

76

2353

-5.87

Circle

8

-3.79e-16

-2.74134246

-3.57e-16

-2.888561412

-2.58e-16

-1.136047086

2.14e-16

-0.249287767

8.403208466

6779.4447

188.0

null

158.5635132

149.318329

40.31832904

82.07454392

73.88118955

19.68408688

13.5787587

7.989230526

4.58446417

null

443.812827

41.28709077

52.73990902

0

5.108808191

108.350367

1187.825718

0.535714286

1.011904762

1.511904762

0.786885246

185.0

PEPTIDE2353{A.[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE2353,PEPTIDE2353,1:R1-11:R2$$$

PEPTIDE2353{<a href="/monomers/A/">A</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/mon...

-6.13

84

1078.736

2353

null

8.76e+72

13.17664258

34.12545164

21.1302489

655.4902863

null

17.92727865

0.390126486

17.92727865

0.245641963

3.056703407

0.245641963

-8.347806708

-0.390126486

2.8789

323.8276

1188.608

Circle

11

null

5

23

null

0

1

0

12

5

23

0

39

0

1

480

CSB(59)

-6.18

-6.371246997

-0.233538379

60.64742972

60.17892468

5.647368313

66.41017668

0.0

52.73990902

0.0

101.178741

100.5298968

170.8282998

33.13825605

null

-5.87

null

-5.87

null

1

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

206.0549754

64.97897702

1.431199657

55.53862153

41.2577038

214.6057332

55.32764799

12.10414349

0

0.0

[['PAMPA']]

[933]

[['-5.10']]

['2015_Ahlbach']

['A', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)']

[-0.2068000000000003, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328]

[29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54]

21.23925341

0.0

227.4049437

52.73990902

41.2577038

290.9056803

12.10414349

5.647368313

0.0

0

2018_Naylor

933

null

278.8

null

972.6029423

0.0

164.8853006

-9.158377527

0.0

-107.6768458

-85.02040876

-43.9493095

-162.5166345

0.0

1.0

2018

null

0

1

0

11

0

7

4

0

7

0

2

11

0

0.157205419

null

5e059b11f8e4ba700d4bba4ec9a3e35eb0166630fcd881c7cce0c1566c2534b9

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,353

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'Me_Abu', 'meL']

75

2354

-5.57

Circle

8

-3.27e-16

-2.734643242

-4.02e-16

-2.877833018

-2.09e-16

-1.136037521

1.37e-17

-0.249287767

8.197978529

6414.833729

197.0

null

152.2017059

143.4100807

38.41008075

78.44849961

71.01881711

18.72996273

12.87463456

7.54049387

4.316699149

null

425.6286655

42.65784933

52.73990902

0

0.0

101.4361332

1131.799503

0.45

0.85

1.3

0.810344828

167.0

PEPTIDE2354{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[Me_Abu].[meL]}$PEPTIDE2354,PEPTIDE2354,1:R1-11:R2$$$

PEPTIDE2354{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href...

-5.83

80

1026.704

2354

null

5.17e+68

12.36983201

32.57112852

20.30672079

626.584277

null

17.56874474

0.342808068

17.56874474

0.245337648

3.054010934

0.245337648

-8.162952153

-0.342808068

3.1059

308.7508

1132.544

Circle

11

null

4

22

null

0

1

0

11

4

22

0

36

0

1

458

CSA-1Leu11Abu(60)

-5.83

-4.572484883

-0.912810796

55.53862153

60.17892468

5.647368313

64.97897702

0.0

52.73990902

0.0

95.92648964

93.67800466

170.8282998

22.94596236

null

-5.57

null

-5.57

null

1

CC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O

196.8338915

64.97897702

0.0

55.53862153

35.36374611

214.4196729

55.32764799

0.0

0

0.0

null

['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'Me_Abu', 'meL']

[0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.5255000000000001, 1.1616]

[29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 20.31]

21.23925341

0.0

214.7849178

52.73990902

35.36374611

292.6873624

0.0

5.647368313

0.0

0

2018_Naylor

2354

null

258.57

null

931.25987

0.0

163.5552342

-12.84221492

0.0

-98.59548082

-77.1802684

-50.77667443

-154.3371324

0.0

1.0

2018

null

0

11

0

7

4

0

7

0

11

0

0.208447863

null

edd99b9b17a78122b7bf5bd8d0522b1552d4aee59cebf0d3cb0ccbb6e29d2138

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,354

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'meL']

72

2355

-5.75

Circle

3

-3.61e-16

-2.74140829

-3.55e-16

-2.877888951

-2.48e-16

-1.136049277

2.19e-16

-0.249287767

8.312641752

6516.958572

184.0

null

154.7017059

145.9100807

38.91008075

79.69849961

72.26881711

18.97996273

13.12463456

7.65889557

4.426067217

null

432.0015904

42.65784933

52.73990902

0

0.0

104.1776503

1145.815153

0.456790123

0.87654321

1.333333333

0.813559322

186.0

PEPTIDE2355{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[meL]}$PEPTIDE2355,PEPTIDE2355,1:R1-11:R2$$$

PEPTIDE2355{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href...

-5.83

81

1038.715

2355

null

5.0999999999999995e+70

12.46084207

32.71656429

20.83429526

635.7591601

null

17.79536039

0.342808068

17.79536039

0.245552546

3.085519198

0.245552546

-8.288377323

-0.342808068

3.3519

313.2978

1146.571

Circle

11

null

4

22

null

0

1

0

11

4

22

0

37

0

1

464

CSA-1Leu(61)

-6.11

-4.991113153

-0.982520382

55.53862153

60.17892468

5.647368313

64.97897702

0.0

52.73990902

0.0

102.7783818

93.19903744

173.5698169

22.94596236

null

-5.75

null

-5.75

null

1

CC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O

199.5754086

64.97897702

0.0

55.53862153

41.2577038

214.8986401

55.32764799

0.0

0

0.0

null

['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'meL']

[0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.1616]

[29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 20.31]

21.23925341

0.0

214.7849178

52.73990902

41.2577038

295.9078467

0.0

5.647368313

0.0

0

2018_Naylor

2355

null

258.57

null

952.3301975

0.0

164.2491691

-12.94975673

0.0

-106.938151

-77.98424687

-43.98949405

-162.3843847

0.0

1.0

2018

null

0

11

0

7

4

0

7

0

11

0

0.208027212

null

28b430d91dee3d17aa60a8bd0133213596e6d0c1d8b52f30252cf65aef2203db

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,355

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)']

78

2356

-5.87

Circle

9

-3.72e-16

-2.741631859

-3.95e-16

-2.890258212

-2.31e-16

-1.136047084

1.15e-16

-0.249287767

8.516208569

6899.875158

207.0

null

161.0635132

151.818329

40.81832904

83.32454392

75.13118955

19.93408688

13.7037587

8.107632225

4.665881388

null

450.1857519

44.02860789

52.73990902

0

5.108808191

108.350367

1201.841368

0.564705882

1.082352941

1.588235294

0.790322581

181.0

PEPTIDE2356{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE2356,PEPTIDE2356,1:R1-11:R2$$$

PEPTIDE2356{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href...

-6.13

85

1090.747

2356

null

4.96e+74

13.26598462

34.87150528

21.65558178

664.6651694

null

18.025327

0.390126486

18.025327

0.245643649

3.146713736

0.245643649

-8.388333089

-0.390126486

3.269

328.4446

1202.635

Circle

11

null

5

23

null

0

1

0

12

5

23

0

40

0

1

486

CSA(62)

-6.15

-6.620415814

-0.186784244

60.64742972

60.17892468

5.647368313

66.41017668

0.0

52.73990902

0.0

108.0306331

100.0509296

173.5698169

33.13825605

null

-5.87

null

-5.87

null

1

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

208.7964925

64.97897702

1.431199657

55.53862153

41.2577038

220.9786581

55.32764799

12.10414349

0

0.0

[['PAMPA'], ['RRCK'], ['PAMPA'], ['RRCK'], ['PAMPA'], ['RRCK'], ['PAMPA', 'Caco2'], ['PAMPA']]

[1, 22, 932, 981, 1822, 1862, 7188, 7353]

[['-6.60'], ['-5.96'], ['-5.01'], ['-5.96'], ['-6.20'], ['-5.25'], ['-5.71', '-5.58'], ['-5.72']]

['2006_Rezai_1', '2011_White', '2015_Ahlbach', '2015_Bockus_1', '2016_Hickey', '2017_Price', '2021_Lee', '2022_Lee']

['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)']

[0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328]

[29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54]

21.23925341

0.0

227.4049437

52.73990902

41.2577038

300.0201224

12.10414349

5.647368313

0.0

0

2018_Naylor

1

null

278.8

null

992.9384945

0.0

165.6557411

-9.339386785

0.0

-108.5974979

-85.82308579

-51.24993928

-163.1676591

0.0

1.0

2018

null

0

1

0

11

0

7

4

0

7

0

2

11

0

0.147924715

null

27c3905aea6c2f575bdb90ae099bde3e2e66d61372cfb6b92d6d0d417fc58cc2

cycpeptmpdb

peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv

tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl

2,357

all

CycPeptMPDB

CycPeptMPDB_Peptide_All

peptide

CycPeptMPDB_Peptide_All

['V', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)']

76

2358

-6.13

Circle

9

-3.48e-16

-2.74237512

-3.79e-16

-2.895690996

-2.66e-16

-1.136047085

-1.29e-16

-0.249287767

8.632724502

7003.043316

183.0

null

163.5635132

154.318329

41.31832904

84.57454392

76.38118955

20.18408688

13.9537587

8.226033925

4.747298605

null

456.5586768

50.88240067

52.73990902

0

5.108808191

104.2380914

1215.857018

0.523255814

0.988372093

1.476744186

0.793650794

164.0

PEPTIDE2358{V.[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE2358,PEPTIDE2358,1:R1-11:R2$$$

PEPTIDE2358{<a href="/monomers/V/">V</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/mon...

-6.13

86

1102.758

2358

null

5.85e+75

13.35604904

35.0143527

21.6247936

673.8400525

null

18.1316233

0.390126486

18.1316233

0.245652497

3.158825925

0.245652497

-8.473297013

-0.390126486

3.515

332.9916

1216.662

Circle

11

null

5

23

null

0

1

0

12

5

23

0

41

0

1

492

CSD(64)

-6.78

-7.124123568

-0.187033899

60.64742972

60.17892468

5.647368313

66.41017668

0.0

52.73990902

0.0

114.8825253

99.57196234

176.311334

33.13825605

null

-6.13

null

-6.13

null

1

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

211.5380096

64.97897702

1.431199657

55.53862153

47.15166148

221.4576253

55.32764799

12.10414349

0

0.0

[['PAMPA']]

[935]

[['-5.36']]

['2015_Ahlbach']

['V', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)']

[0.4292999999999995, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328]

[29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54]

21.23925341

0.0

227.4049437

52.73990902

47.15166148

303.2406067

12.10414349

5.647368313

0.0

0

2018_Naylor

935

null

278.8

null

1013.846963

0.0

166.4261817

-9.520396042

0.0

-116.8265839

-86.62576281

-44.55870141

-171.0750342

0.0

1.0

2018

null

0

1

0

11

0

7

4

0

7

0

2

11

0

0.147475513

null