record_id stringlengths 64 64 | dataset_id stringclasses 1
value | source_file stringclasses 2
values | source_table stringclasses 2
values | source_row_index int64 0 8.47k | table_group stringclasses 1
value | task_name stringclasses 1
value | subtask_name stringclasses 2
values | entity_type stringclasses 2
values | assay_name stringclasses 2
values | sequence stringlengths 20 133 ⌀ | sequence_length int64 20 133 ⌀ | mutation stringlengths 1 4 | target stringclasses 689
values | score_value float64 -10 -3.9 ⌀ | label stringclasses 2
values | split_bucket int64 1 9 | bcut2d_chghi stringclasses 702
values | bcut2d_chglo stringlengths 9 12 | bcut2d_logphi stringclasses 986
values | bcut2d_logplow stringlengths 9 12 | bcut2d_mrhi stringlengths 3 23 | bcut2d_mrlow stringlengths 8 12 | bcut2d_mwhi stringlengths 3 11 | bcut2d_mwlow stringclasses 835
values | balabanj stringlengths 8 11 | bertzct stringlengths 8 11 | chcl3_3dpsa stringclasses 245
values | cxsmiles stringclasses 349
values | caco2 stringclasses 318
values | chi0 stringlengths 9 11 | chi0n stringlengths 9 11 | chi0v stringlengths 8 11 | chi1 stringlengths 9 11 | chi1n stringlengths 9 11 | chi1v stringlengths 9 11 | chi2n stringlengths 9 11 | chi2v stringlengths 9 11 | chi3n stringlengths 3 11 | chi3v stringlengths 3 11 | chi4n stringlengths 3 11 | chi4v stringlengths 3 11 | compound_name stringclasses 213
values | detection_limit_1 stringclasses 34
values | detection_limit_2 stringclasses 5
values | epsa stringclasses 33
values | estate_vsa1 stringlengths 8 11 | estate_vsa10 stringclasses 512
values | estate_vsa11 stringclasses 33
values | estate_vsa2 stringclasses 14
values | estate_vsa3 stringclasses 4
values | estate_vsa4 stringclasses 1
value | estate_vsa5 stringclasses 1
value | estate_vsa6 stringclasses 1
value | estate_vsa7 stringclasses 1
value | estate_vsa8 stringclasses 52
values | estate_vsa9 stringclasses 696
values | exactmolwt stringlengths 8 11 | fpdensitymorgan1 stringlengths 3 11 | fpdensitymorgan2 stringlengths 3 11 | fpdensitymorgan3 stringlengths 3 11 | fractioncsp3 stringclasses 527
values | h2o_3dpsa stringclasses 244
values | helm stringlengths 55 171 ⌀ | helm_url stringlengths 135 568 ⌀ | hallkieralpha stringclasses 439
values | heavyatomcount stringclasses 121
values | heavyatommolwt stringlengths 5 8 | id stringlengths 1 4 | iupac_condensed stringclasses 200
values | iupac_name stringclasses 338
values | ipc stringlengths 5 23 | kappa1 stringlengths 8 11 | kappa2 stringlengths 4 11 | kappa3 stringlengths 3 11 | labuteasa stringlengths 9 11 | mdck stringclasses 52
values | maxabsestateindex stringlengths 3 11 | maxabspartialcharge stringclasses 636
values | maxestateindex stringlengths 3 11 | maxpartialcharge stringclasses 878
values | minabsestateindex stringlengths 6 11 | minabspartialcharge stringclasses 893
values | minestateindex stringlengths 7 12 | minpartialcharge stringclasses 633
values | mollogp stringlengths 3 8 | molmr stringlengths 5 8 | molwt stringlengths 5 8 | molecule_shape stringclasses 2
values | monomer_length stringclasses 14
values | monomer_length_in_main_chain stringclasses 13
values | monomer_type stringclasses 2
values | nhohcount stringclasses 15
values | nocount stringclasses 33
values | null stringclasses 0
values | natural_analog stringclasses 21
values | numaliphaticcarbocycles stringclasses 5
values | numaliphaticheterocycles stringclasses 6
values | numaliphaticrings stringclasses 8
values | numaromaticcarbocycles stringclasses 6
values | numaromaticheterocycles stringclasses 4
values | numaromaticrings stringclasses 7
values | numhacceptors stringclasses 19
values | numhdonors stringclasses 15
values | numheteroatoms stringclasses 33
values | numradicalelectrons stringclasses 1
value | numrotatablebonds stringclasses 56
values | numsaturatedcarbocycles stringclasses 5
values | numsaturatedheterocycles stringclasses 6
values | numsaturatedrings stringclasses 8
values | numvalenceelectrons stringclasses 294
values | original_name_in_source_literature stringlengths 1 42 ⌀ | pampa stringclasses 638
values | pc1 stringlengths 9 12 ⌀ | pc2 stringlengths 8 12 ⌀ | peoe_vsa1 stringclasses 333
values | peoe_vsa10 stringclasses 162
values | peoe_vsa11 stringclasses 50
values | peoe_vsa12 stringclasses 65
values | peoe_vsa13 stringclasses 14
values | peoe_vsa14 stringclasses 13
values | peoe_vsa2 stringclasses 61
values | peoe_vsa3 stringclasses 20
values | peoe_vsa4 stringclasses 8
values | peoe_vsa5 stringclasses 12
values | peoe_vsa6 stringclasses 623
values | peoe_vsa7 stringclasses 914
values | peoe_vsa8 stringlengths 3 11 | peoe_vsa9 stringclasses 719
values | psa stringclasses 55
values | permeability stringclasses 689
values | polymer_type stringclasses 1
value | pubchem_cid stringclasses 274
values | r1 stringclasses 2
values | r2 stringclasses 2
values | r3 stringclasses 3
values | rrck stringclasses 119
values | r_caco2 stringclasses 23
values | r_mdck stringclasses 2
values | r_pamap stringlengths 3 11 ⌀ | r_rrck stringclasses 31
values | ringcount stringclasses 10
values | smiles stringlengths 47 320 ⌀ | smr_vsa1 stringlengths 9 11 | smr_vsa10 stringclasses 134
values | smr_vsa2 stringclasses 8
values | smr_vsa3 stringclasses 164
values | smr_vsa4 stringclasses 38
values | smr_vsa5 stringlengths 3 11 | smr_vsa6 stringclasses 263
values | smr_vsa7 stringclasses 177
values | smr_vsa8 stringclasses 1
value | smr_vsa9 stringclasses 4
values | same_peptides_assay stringclasses 39
values | same_peptides_id stringclasses 813
values | same_peptides_permeability stringclasses 321
values | same_peptides_source stringclasses 62
values | raw_sequence stringlengths 20 133 ⌀ | sequence_logp stringlengths 27 292 ⌀ | sequence_tpsa stringlengths 14 104 ⌀ | slogp_vsa1 stringclasses 49
values | slogp_vsa10 stringclasses 12
values | slogp_vsa11 stringclasses 4
values | slogp_vsa12 stringclasses 11
values | slogp_vsa2 stringclasses 904
values | slogp_vsa3 stringclasses 218
values | slogp_vsa4 stringclasses 41
values | slogp_vsa5 stringlengths 8 11 | slogp_vsa6 stringclasses 118
values | slogp_vsa7 stringclasses 28
values | slogp_vsa8 stringclasses 10
values | slogp_vsa9 stringclasses 1
value | source stringclasses 56
values | structurally_unique_id stringlengths 1 4 ⌀ | symbol stringclasses 350
values | tpsa stringclasses 451
values | t_pampa stringlengths 3 6 ⌀ | vsa_estate1 stringlengths 8 11 | vsa_estate10 stringclasses 436
values | vsa_estate2 stringlengths 3 12 | vsa_estate3 stringlengths 3 12 | vsa_estate4 stringlengths 3 12 | vsa_estate5 stringlengths 3 12 | vsa_estate6 stringlengths 3 12 | vsa_estate7 stringlengths 3 12 | vsa_estate8 stringlengths 3 12 | vsa_estate9 stringclasses 119
values | version stringclasses 2
values | year stringclasses 15
values | x_3dpsa stringclasses 13
values | capped_smiles stringclasses 347
values | contain_id stringclasses 328
values | contain_count stringclasses 110
values | contain_pepnum stringclasses 87
values | contain_perme stringclasses 215
values | fr_al_coo stringclasses 3
values | fr_al_oh stringclasses 5
values | fr_al_oh_notert stringclasses 1
value | fr_arn stringclasses 2
values | fr_ar_coo stringclasses 1
value | fr_ar_n stringclasses 5
values | fr_ar_nh stringclasses 4
values | fr_ar_oh stringclasses 3
values | fr_coo stringclasses 3
values | fr_coo2 stringclasses 3
values | fr_c_o stringclasses 17
values | fr_c_o_nocoo stringclasses 17
values | fr_c_s stringclasses 2
values | fr_hoccn stringclasses 2
values | fr_imine stringclasses 3
values | fr_nh0 stringclasses 12
values | fr_nh1 stringclasses 13
values | fr_nh2 stringclasses 5
values | fr_n_o stringclasses 1
value | fr_ndealkylation1 stringclasses 10
values | fr_ndealkylation2 stringclasses 3
values | fr_nhpyrrole stringclasses 4
values | fr_sh stringclasses 1
value | fr_aldehyde stringclasses 3
values | fr_alkyl_carbamate stringclasses 2
values | fr_alkyl_halide stringclasses 6
values | fr_allylic_oxid stringclasses 5
values | fr_amide stringclasses 16
values | fr_amidine stringclasses 1
value | fr_aniline stringclasses 2
values | fr_aryl_methyl stringclasses 2
values | fr_azide stringclasses 1
value | fr_azo stringclasses 1
value | fr_barbitur stringclasses 1
value | fr_benzene stringclasses 6
values | fr_benzodiazepine stringclasses 1
value | fr_bicyclic stringclasses 17
values | fr_diazo stringclasses 1
value | fr_dihydropyridine stringclasses 1
value | fr_epoxide stringclasses 1
value | fr_ester stringclasses 4
values | fr_ether stringclasses 5
values | fr_furan stringclasses 2
values | fr_guanido stringclasses 3
values | fr_halogen stringclasses 7
values | fr_hdrzine stringclasses 1
value | fr_hdrzone stringclasses 1
value | fr_imidazole stringclasses 2
values | fr_imide stringclasses 2
values | fr_isocyan stringclasses 1
value | fr_isothiocyan stringclasses 1
value | fr_ketone stringclasses 2
values | fr_ketone_topliss stringclasses 2
values | fr_lactam stringclasses 1
value | fr_lactone stringclasses 4
values | fr_methoxy stringclasses 3
values | fr_morpholine stringclasses 2
values | fr_nitrile stringclasses 1
value | fr_nitro stringclasses 2
values | fr_nitro_arom stringclasses 2
values | fr_nitro_arom_nonortho stringclasses 1
value | fr_nitroso stringclasses 1
value | fr_oxazole stringclasses 2
values | fr_oxime stringclasses 1
value | fr_para_hydroxylation stringclasses 4
values | fr_phenol stringclasses 3
values | fr_phenol_noorthohbond stringclasses 3
values | fr_phos_acid stringclasses 1
value | fr_phos_ester stringclasses 1
value | fr_piperdine stringclasses 4
values | fr_piperzine stringclasses 1
value | fr_priamide stringclasses 4
values | fr_prisulfonamd stringclasses 1
value | fr_pyridine stringclasses 2
values | fr_quatn stringclasses 1
value | fr_sulfide stringclasses 2
values | fr_sulfonamd stringclasses 2
values | fr_sulfone stringclasses 2
values | fr_term_acetylene stringclasses 1
value | fr_tetrazole stringclasses 2
values | fr_thiazole stringclasses 3
values | fr_thiocyan stringclasses 1
value | fr_thiophene stringclasses 2
values | fr_unbrch_alkane stringclasses 1
value | fr_urea stringclasses 1
value | qed stringlengths 8 11 | replaced_smiles stringclasses 348
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
536c90c431c94bd3c1c5f473cb5600ccb64caefea522928e52ba3587e35a3f8d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,138 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'Nva(Ph)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meI', 'Asp_piperidide'] | 95 | 2139 | -5.74 | -5.74 | Circle | 4 | -2.69e-16 | -2.758382898 | -1.85e-16 | -2.889711333 | 3.34e-17 | -1.135202075 | 1.4e-15 | -0.249287763 | 3.080477213 | 8746.92403 | 234.0 | null | -5.74 | 179.6629249 | 168.0820392 | 50.08203921 | 95.76925501 | 84.16438238 | 25.46727971 | 17.21643522 | 17.21643522 | 10.23966447 | 10.23966447 | 5.984753467 | 5.984753467 | null | null | null | null | 548.5465295 | 68.7022619 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1446.889046 | 0.596153846 | 1.125 | 1.663461538 | 0.615384615 | 231.0 | PEPTIDE2139{[Sar].[meF].[Nva(Ph)].[meL].T.[Sar].[meF].[meL].[Ser(tBu)].[meI].[Asp_piperidide]}$PEPTIDE2139,PEPTIDE2139,1:R1-11:R2$$$ | PEPTIDE2139{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</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/Ser(tBu... | -8.78 | 104 | 1328.928 | 2139 | null | null | 1.68e+87 | 17.91491526 | 40.47994824 | 25.24258747 | 781.6600342 | null | 18.09355751 | 0.390716756 | 18.09355751 | 0.247548563 | 2.010353098 | 0.247548563 | -8.345457832 | -0.390716756 | 4.2361 | 396.2576 | 1447.872 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 574 | pd366 | null | -7.153932804 | 5.161790347 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 138.1205582 | 112.7631952 | 186.9725591 | 80.10021359 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=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)N1C | 227.9232025 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 210.836121 | 81.37721228 | 107.3266351 | 0 | 0.0 | [['Caco2']] | [2014] | [['-5.74']] | ['2018_CHUGAI'] | ['Sar', 'meF', 'Nva(Ph)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meI', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 1.7961999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.8447558 | 81.39008387 | 17.68187306 | 297.4613166 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2014 | null | 308.34 | null | 1086.792668 | 0.0 | 185.9682502 | -10.09759362 | -16.40388975 | -85.87981365 | -110.6480631 | -88.31424086 | -146.4173173 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119102246 | null |
db3e599cf0bfd20be8b93821298724bb72f8bf20b662121c333851cb912be226 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,139 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Nva(Ph)', 'meA', 'Asp_piperidide'] | 88 | 2140 | -5.82 | -5.82 | Circle | 4 | -2.51e-16 | -2.756899525 | -1.66e-16 | -2.886176847 | -1.08e-17 | -1.135241661 | 1.78e-15 | -0.249287763 | 2.967070443 | 8272.143124 | 213.0 | null | -5.82 | 168.9558181 | 157.6737909 | 47.67379092 | 90.31214823 | 79.00613409 | 24.30903142 | 16.33112486 | 16.33112486 | 9.938865743 | 9.938865743 | 5.737491042 | 5.737491042 | null | null | null | null | 522.6827092 | 54.99467634 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 96.01354003 | 1374.831532 | 0.575757576 | 1.111111111 | 1.646464646 | 0.594594595 | 201.0 | PEPTIDE2140{[Sar].[meF].I.[meL].T.[Sar].[meF].[meL].[Nva(Ph)].[meA].[Asp_piperidide]}$PEPTIDE2140,PEPTIDE2140,1:R1-11:R2$$$ | PEPTIDE2140{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</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/Nva(Ph)/">[Nva(Ph)]</... | -8.74 | 99 | 1264.885 | 2140 | null | null | 2.66e+80 | 17.23623629 | 38.57371284 | 23.17263497 | 739.8469565 | null | 17.90975742 | 0.390716756 | 17.90975742 | 0.247548563 | 1.978652898 | 0.247548563 | -8.024474656 | -0.390716756 | 3.4409 | 376.2266 | 1375.765 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 13 | 5 | 25 | 0 | 32 | 0 | 2 | 2 | 544 | pd367 | null | -5.827802455 | 4.724455134 | 65.54733945 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 138.1205582 | 99.05941098 | 178.7480077 | 65.19866043 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCCc2ccccc2)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 | 212.2202711 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 191.531286 | 74.81822704 | 107.3266351 | 0 | 0.0 | [['Caco2']] | [2015] | [['-5.82']] | ['2018_CHUGAI'] | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Nva(Ph)', 'meA', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 1.7961999999999996, 0.1353999999999999, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.6847197 | 76.65322091 | 17.68187306 | 272.7914639 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2015 | null | 299.11 | null | 1003.511031 | 0.0 | 183.4703932 | -9.508372166 | -9.509223318 | -83.21151091 | -107.5486625 | -86.49328594 | -124.2103693 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.137559627 | null |
f97bb4e28805beba9a7ed425a86cfcb4dc73e1ad91810ff49ccc1b457ad8a3bf | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,140 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'Ser(Bn)', 'meF', 'meA', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 88 | 2141 | -5.7 | -5.7 | Circle | 5 | -2.53e-16 | -2.757958718 | -1.69e-16 | -2.881903994 | 4.22e-17 | -1.135778052 | 1.68e-15 | -0.249287767 | 2.992769152 | 8279.257035 | 214.0 | null | -5.7 | 169.6629249 | 158.0820392 | 48.08203921 | 90.76925501 | 79.16438238 | 24.46727971 | 16.49911448 | 16.49911448 | 9.971597206 | 9.971597206 | 5.767472691 | 5.767472691 | null | null | null | null | 523.0548299 | 61.84846912 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 89.15974725 | 1390.826446 | 0.55 | 1.05 | 1.61 | 0.594594595 | 202.0 | PEPTIDE2141{[meA].L.[meL].[meF].[Ser(Bn)].[meF].[meA].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2141,PEPTIDE2141,1:R1-11:R2$$$ | PEPTIDE2141{<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/Ser(Bn)/">[Ser(Bn)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</... | -8.78 | 100 | 1280.884 | 2141 | null | null | 3.32e+81 | 17.63016378 | 38.70307831 | 23.14196632 | 744.9605017 | null | 18.205314 | 0.390716756 | 18.205314 | 0.247548562 | 1.930661108 | 0.247548562 | -8.205952109 | -0.390716756 | 3.0233 | 377.5396 | 1391.764 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 550 | pd368 | null | -6.259435866 | 4.656816889 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 93.16545329 | 174.6357321 | 75.9320469 | null | -5.7 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 216.9571341 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 191.8412811 | 74.8803526 | 107.3266351 | 0 | 0.0 | [['Caco2']] | [2004] | [['-5.70']] | ['2018_CHUGAI'] | ['meA', 'L', 'meL', 'meF', 'Ser(Bn)', 'meF', 'meA', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.9900999999999996, 1.3581999999999996, 0.1353999999999999, -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] | 21.23925341 | 0.0 | 0.0 | 0.0 | 257.7647378 | 81.57614421 | 17.68187306 | 266.8975062 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2004 | null | 308.34 | null | 1007.175671 | 0.0 | 183.7171786 | -9.375329658 | -9.492822653 | -82.92031271 | -115.0646895 | -67.48570119 | -136.5539936 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.137819313 | null |
40917956eceec97870729899da939cc31d479dac0c285b896f7d11f372d2fa20 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,141 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'Ser(Bn)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 95 | 2142 | -5.52 | -5.52 | Circle | 5 | -2.85e-16 | -2.757873745 | -2.04e-16 | -2.887442392 | 9.07e-17 | -1.135212241 | 1.61e-15 | -0.249287763 | 3.050973725 | 8631.516698 | 201.0 | null | -5.52 | 177.8700316 | 165.9902875 | 49.9902875 | 94.97636179 | 83.07263067 | 25.375528 | 17.14762144 | 17.14762144 | 10.0536598 | 10.0536598 | 5.880109944 | 5.880109944 | null | null | null | null | 542.5457253 | 61.84846912 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 97.38429859 | 1448.868311 | 0.548076923 | 1.0 | 1.480769231 | 0.61038961 | 227.0 | PEPTIDE2142{[Sar].[meF].[Ser(Bn)].[meL].T.[Sar].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2142,PEPTIDE2142,1:R1-11:R2$$$ | PEPTIDE2142{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(Bn)/">[Ser(Bn)]</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/Ser(tBu... | -8.82 | 104 | 1332.916 | 2142 | null | null | 1.1e+86 | 18.23304762 | 40.45079659 | 25.80043746 | 777.5986963 | null | 18.02278448 | 0.390716756 | 18.02278448 | 0.247548563 | 1.936015995 | 0.247548563 | -8.257462004 | -0.390716756 | 3.43 | 392.9756 | 1449.844 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 15 | 5 | 27 | 0 | 33 | 0 | 2 | 2 | 574 | pd369 | null | -7.221307114 | 5.124586665 | 75.02106536 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 100.0173454 | 178.7480077 | 98.7012183 | null | -5.52 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=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](COCc2ccccc2)C(=O)N1C | 229.9185484 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 198.2763316 | 87.93619753 | 107.3266351 | 0 | 0.0 | [['Caco2'], ['Caco2']] | [2002, 7912] | [['-5.52'], ['-5.52']] | ['2018_CHUGAI', '2023_Ohta'] | ['Sar', 'meF', 'Ser(Bn)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.9900999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 270.403741 | 86.31300716 | 17.68187306 | 281.9739497 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2002 | null | 317.57 | null | 1068.226431 | 0.0 | 185.2916394 | -9.898714625 | -16.15052558 | -84.48913316 | -109.1990682 | -68.37446015 | -158.1561682 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.121873206 | null |
0fba0a4b94aefcedb8ce3f976ad7c2f1c4cc6258493e90a57199520e87b1bc77 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,142 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(Bn)', 'meI', 'Asp_piperidide'] | 88 | 2143 | -5.6 | -5.6 | Circle | 8 | -2.57e-16 | -2.758304784 | -1.8e-16 | -2.889555861 | -1.27e-17 | -1.135238761 | 1.86e-15 | -0.249287763 | 3.047204069 | 8542.457551 | 226.0 | null | -5.6 | 174.6629249 | 163.0820392 | 49.08203921 | 93.26925501 | 81.66438238 | 24.96727971 | 16.76231108 | 16.76231108 | 10.23306617 | 10.23306617 | 5.960951721 | 5.960951721 | null | null | null | null | 535.8006797 | 60.47771056 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 96.01354003 | 1418.857746 | 0.558823529 | 1.078431373 | 1.617647059 | 0.605263158 | 225.0 | PEPTIDE2143{[Sar].[meF].I.[meL].T.[Sar].[meF].[meL].[Ser(Bn)].[meI].[Asp_piperidide]}$PEPTIDE2143,PEPTIDE2143,1:R1-11:R2$$$ | PEPTIDE2143{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</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/Ser(Bn)/">[Ser(Bn)]</... | -8.78 | 102 | 1304.906 | 2143 | null | null | 3.7399999999999995e+83 | 17.77007488 | 40.16645249 | 23.64123984 | 763.3102679 | null | 18.05700346 | 0.390716756 | 18.05700346 | 0.247548563 | 1.988072385 | 0.247548563 | -8.223304814 | -0.390716756 | 3.661 | 386.7256 | 1419.818 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 35 | 0 | 2 | 2 | 562 | pd370 | null | -6.747409327 | 4.898207518 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 158.1972674 | 78.98270184 | 178.7480077 | 83.79966514 | null | -5.6 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](COCc2ccccc2)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 | 222.4401683 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 192.1963136 | 81.37721228 | 107.3266351 | 0 | 0.0 | [['Caco2']] | [2003] | [['-5.60']] | ['2018_CHUGAI'] | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(Bn)', 'meI', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.9900999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 258.243705 | 81.57614421 | 23.57583074 | 278.7534654 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2003 | null | 308.34 | null | 1048.1519 | 0.0 | 185.2805192 | -9.898352672 | -9.569839307 | -92.40683458 | -109.449288 | -74.26140312 | -145.346701 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.121501158 | null |
76c0361991d6a874c6e99dac30f23160affa04f8f2dc02bcd87f6355ae6ac8e3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,143 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'meL', 'L', 'meL', 'T', 'Hyp(Et)', 'meL', 'I', 'meL', 'L', 'Asp_piperidide'] | 86 | 2144 | -5.47 | -5.47 | Circle | 5 | -3.72e-16 | -2.757904877 | -3.88e-16 | -2.889597074 | -2.41e-16 | -1.136011058 | 3.24e-17 | -0.249287769 | 4.599034024 | 7973.702084 | 205.0 | null | -5.47 | 180.27062 | 170.0820392 | 46.08203921 | 93.5316507 | 84.63798918 | 22.99367291 | 15.72617655 | 15.72617655 | 9.379765556 | 9.379765556 | 5.630281784 | 5.630281784 | null | null | null | null | 505.2351122 | 66.00182831 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 104.2380914 | 1356.935997 | 0.5625 | 1.052083333 | 1.541666667 | 0.828571429 | 207.0 | PEPTIDE2144{[Me_dA].[meL].L.[meL].T.[Hyp(Et)].[meL].I.[meL].L.[Asp_piperidide]}$PEPTIDE2144,PEPTIDE2144,1:R1-11:R2$$$ | PEPTIDE2144{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>... | -6.44 | 96 | 1232.84 | 2144 | null | null | 4.15e+87 | 15.11655926 | 38.63884384 | 23.64823999 | 747.4102497 | null | 18.06147642 | 0.390716753 | 18.06147642 | 0.248113684 | 2.74196662 | 0.248113684 | -8.418081846 | -0.390716753 | 3.691 | 366.5633 | 1357.832 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 14 | 6 | 26 | 0 | 41 | 0 | 3 | 3 | 548 | pd371 | null | -8.72429179 | -0.128188965 | 70.69410603 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 102.2994145 | 119.1697043 | 205.7482379 | 41.83585641 | null | -5.47 | null | null | null | null | null | null | null | null | null | null | 3 | CCO[C@@H]1C[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N(C)[C@H](C)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@@H](C)O)C(=O)N2C1 | 236.1888374 | 70.88615675 | 1.431199657 | 60.84843488 | 41.2577038 | 271.314118 | 60.9286988 | 0.0 | 0 | 0.0 | null | null | null | null | ['Me_dA', 'meL', 'L', 'meL', 'T', 'Hyp(Et)', 'meL', 'I', 'meL', 'L', 'Asp_piperidide'] | [0.1353999999999999, 1.1616, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.2945, 1.1616, 0.8193999999999999, 1.1616, 0.8193999999999995, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 29.54, 20.31, 29.1, 20.31, 29.1, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.0110847 | 62.27130916 | 41.2577038 | 354.7067744 | 0.0 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2144 | null | 317.13 | null | 1131.537279 | 0.0 | 188.4790791 | -14.4887805 | 0.0 | -117.0351915 | -90.04854879 | -100.3600788 | -170.5837585 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.114113479 | null |
c25bf0233f1f612a22e35cb3776c8fd8dd8ba3f3e19aa87346f2f4177d4bc873 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,144 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'P', 'Ser(tBu)', 'meL', 'Hyp(Et)', 'meL', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | 90 | 2145 | -5.85 | -5.85 | Circle | 9 | -2.87e-16 | -2.757901828 | -2.83e-16 | -2.888265215 | -8.66e-17 | -1.135202497 | 1.28e-15 | -0.249287763 | 2.73406651 | 8834.552723 | 249.0 | null | -5.85 | 183.90593 | 172.4902875 | 50.4902875 | 97.58961044 | 86.54623747 | 25.9019212 | 17.72329031 | 17.72329031 | 10.66736768 | 10.66736768 | 6.608703014 | 6.608703014 | null | null | null | null | 549.7507545 | 82.45093098 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 85.04747158 | 1466.915261 | 0.59047619 | 1.142857143 | 1.733333333 | 0.692307692 | 245.0 | PEPTIDE2145{[dL].P.[Ser(tBu)].[meL].[Hyp(Et)].[meL].T.[meF].F.[meL].[Asp_piperidide]}$PEPTIDE2145,PEPTIDE2145,1:R1-11:R2$$$ | PEPTIDE2145{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F... | -8.04 | 105 | 1344.927 | 2145 | null | null | 1.55e+91 | 17.80049862 | 39.5260127 | 24.23699966 | 793.3624427 | null | 18.36822618 | 0.390716755 | 18.36822618 | 0.247773756 | 2.320297523 | 0.247773756 | -8.387413614 | -0.390716755 | 3.9973 | 396.6983 | 1467.903 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 33 | 0 | 4 | 4 | 584 | pd372 | null | -8.196738889 | 2.763098985 | 75.43096898 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 126.3185184 | 198.8245007 | 70.44499514 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 6 | CCO[C@@H]1C[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N[C@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C1 | 238.1841832 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 255.8805253 | 67.00871682 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'P', 'Ser(tBu)', 'meL', 'Hyp(Et)', 'meL', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 0.2794999999999998, 0.5883999999999996, 1.1616, 0.2945, 1.1616, -0.1918000000000002, 1.3581999999999996, 1.0159999999999998, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 29.54, 20.31, 38.33, 20.31, 29.1, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 262.6921536 | 79.75402192 | 23.57583074 | 329.3116669 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2145 | null | 326.36 | null | 1134.541434 | 0.0 | 191.7888691 | -13.33969554 | -13.56439703 | -93.1733565 | -115.4401777 | -104.8394315 | -149.9732451 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.122907526 | null |
ad5f1b7edd390a2a301481700e8eac219057af310031a789ceda7d79df2f3951 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,145 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'meV', 'Ser(tBu)', 'meL', 'Hyp(Et)', 'meL', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | 91 | 2146 | -5.7 | -5.7 | Circle | 5 | -3.07e-16 | -2.757667518 | -2.48e-16 | -2.889660847 | -8.04e-17 | -1.135202497 | 1.07e-15 | -0.249287763 | 3.127247372 | 8577.089874 | 252.0 | null | -5.7 | 180.90593 | 169.4902875 | 49.4902875 | 95.83961044 | 84.79623747 | 25.1519212 | 17.23648691 | 17.23648691 | 10.31216258 | 10.31216258 | 6.268524443 | 6.268524443 | null | null | null | null | 537.9628391 | 71.48486253 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 93.27202292 | 1440.899611 | 0.631067961 | 1.184466019 | 1.747572816 | 0.684210526 | 251.0 | PEPTIDE2146{A.[meV].[Ser(tBu)].[meL].[Hyp(Et)].[meL].T.[meF].F.[meL].[Asp_piperidide]}$PEPTIDE2146,PEPTIDE2146,1:R1-11:R2$$$ | PEPTIDE2146{<a href="/monomers/A/">A</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/"... | -8.04 | 103 | 1320.905 | 2146 | null | null | 1.91e+89 | 17.48626893 | 39.178839 | 24.26474648 | 778.8284486 | null | 18.3426547 | 0.390716755 | 18.3426547 | 0.247773756 | 2.301078322 | 0.247773756 | -8.417673717 | -0.390716755 | 3.4631 | 389.5783 | 1441.865 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 34 | 0 | 3 | 3 | 574 | pd373 | null | -7.944322166 | 2.987480299 | 75.43096898 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 114.0516358 | 196.5619508 | 70.44499514 | null | -5.7 | null | null | null | null | null | null | null | null | null | null | 5 | CCO[C@@H]1C[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C1 | 235.4426661 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 243.6136427 | 67.48768404 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['A', 'meV', 'Ser(tBu)', 'meL', 'Hyp(Et)', 'meL', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | [-0.2068000000000003, 0.7715000000000001, 0.5883999999999996, 1.1616, 0.2945, 1.1616, -0.1918000000000002, 1.3581999999999996, 1.0159999999999998, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 29.54, 20.31, 38.33, 20.31, 29.1, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 263.1711208 | 79.75402192 | 23.57583074 | 314.3032672 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2146 | null | 326.36 | null | 1109.772375 | 0.0 | 190.0810962 | -13.23119145 | -13.54807604 | -93.48800025 | -115.0993878 | -83.48860492 | -157.4982107 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.132136139 | null |
f8c240ff5aef82b152fdeae7684eae65f0ae44151e1af3a3a3647c67146b3c03 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,147 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dAbu', 'meL', 'Ser(tBu)', 'meL', 'L', 'meL', 'T', 'Hyp(Et)', 'F', 'meL', 'Asp_piperidide'] | 92 | 2148 | -5.54 | -5.54 | Circle | 2 | -3.4e-16 | -2.757773817 | -3.18e-16 | -2.890647563 | -1.22e-16 | -1.135998581 | 3.44e-16 | -0.249287769 | 3.728403231 | 8394.174929 | 237.0 | null | -5.54 | 183.4418284 | 172.4902875 | 48.4902875 | 96.2028591 | 86.01984426 | 24.4283144 | 16.63788012 | 16.63788012 | 9.72381394 | 9.72381394 | 5.91775182 | 5.91775182 | null | null | null | null | 527.9649626 | 75.63822172 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 94.64278148 | 1420.930911 | 0.613861386 | 1.108910891 | 1.613861386 | 0.756756757 | 239.0 | PEPTIDE2148{[dAbu].[meL].[Ser(tBu)].[meL].L.[meL].T.[Hyp(Et)].F.[meL].[Asp_piperidide]}$PEPTIDE2148,PEPTIDE2148,1:R1-11:R2$$$ | PEPTIDE2148{<a href="/monomers/dAbu/">[dAbu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/F... | -7.26 | 101 | 1296.883 | 2148 | null | null | 2.59e+89 | 16.54615376 | 39.97082252 | 25.88938443 | 774.69909 | null | 18.01447561 | 0.390716753 | 18.01447561 | 0.248113564 | 2.323455477 | 0.248113564 | -8.442115565 | -0.390716753 | 3.7045 | 383.494 | 1421.875 | Circle | 11 | 11 | null | 7 | 27 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 15 | 7 | 27 | 0 | 37 | 0 | 3 | 3 | 570 | pd375 | null | -8.704760681 | 1.6656816 | 75.8408726 | 66.19681715 | 8.47105247 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 105.5829068 | 126.6490246 | 194.1792674 | 63.59120236 | null | -5.54 | null | null | null | null | null | null | null | null | null | null | 4 | CCO[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N[C@H](CC)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](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2C1 | 240.9667838 | 70.88615675 | 1.431199657 | 61.2583385 | 29.46978843 | 270.0632767 | 60.51185714 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['dAbu', 'meL', 'Ser(tBu)', 'meL', 'L', 'meL', 'T', 'Hyp(Et)', 'F', 'meL', 'Asp_piperidide'] | [0.1833, 1.1616, 0.5883999999999996, 1.1616, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.2945, 1.0159999999999998, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 29.1, 20.31, 38.33, 29.54, 29.1, 20.31, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 251.2953841 | 73.38109702 | 29.46978843 | 345.6746504 | 30.21209354 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2148 | null | 335.15 | null | 1140.024284 | 0.0 | 192.7592209 | -17.42446688 | -10.20168418 | -101.5073222 | -102.8669438 | -99.1967955 | -163.0862919 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.103857139 | null |
0b1d68ddbbf7f0a0aa6264fc02c641e0b84fb6b14689c1bde104f3b8462bcfdc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,148 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'meV', 'Ser(tBu)', 'meL', 'Hyp(Et)', 'meV', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | 91 | 2149 | -5.62 | -5.62 | Circle | 8 | -2.9e-16 | -2.757769001 | -2.57e-16 | -2.89025107 | -7.81e-17 | -1.135192191 | 1.27e-15 | -0.249287762 | 2.728234056 | 8704.82151 | 219.0 | null | -5.62 | 181.40593 | 169.9902875 | 49.9902875 | 96.30093531 | 85.32263067 | 25.625528 | 17.69689711 | 17.69689711 | 10.86751973 | 10.86751973 | 6.694359222 | 6.694359222 | null | null | null | null | 543.570828 | 81.0390889 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 83.67671303 | 1452.899611 | 0.615384615 | 1.173076923 | 1.75 | 0.688311688 | 221.0 | PEPTIDE2149{P.[meV].[Ser(tBu)].[meL].[Hyp(Et)].[meV].T.[meF].F.[meL].[Asp_piperidide]}$PEPTIDE2149,PEPTIDE2149,1:R1-11:R2$$$ | PEPTIDE2149{<a href="/monomers/P/">P</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/"... | -8.04 | 104 | 1332.916 | 2149 | null | null | 4.19e+89 | 17.72328939 | 38.29464756 | 22.26642151 | 784.3394745 | null | 18.34859831 | 0.390716755 | 18.34859831 | 0.247773757 | 2.302016685 | 0.247773757 | -8.40960107 | -0.390716755 | 3.5593 | 392.0916 | 1453.876 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 32 | 0 | 4 | 4 | 578 | pd376 | null | -7.703928083 | 2.788433094 | 75.02106536 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 113.5726686 | 204.429569 | 70.44499514 | null | -5.62 | null | null | null | null | null | null | null | null | null | null | 6 | CCO[C@@H]1C[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C1 | 235.4015826 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 243.1346755 | 73.98454372 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['P', 'meV', 'Ser(tBu)', 'meL', 'Hyp(Et)', 'meV', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | [0.2794999999999998, 0.7715000000000001, 0.5883999999999996, 1.1616, 0.2945, 0.7715000000000001, -0.1918000000000002, 1.3581999999999996, 1.0159999999999998, 1.1616, 0.1758999999999995] | [20.31, 20.31, 38.33, 20.31, 29.54, 20.31, 38.33, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 274.5678902 | 79.75402192 | 23.57583074 | 315.1950586 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2149 | null | 317.57 | null | 1116.716011 | 0.0 | 188.7879806 | -9.972090561 | -13.55796308 | -94.1173184 | -115.2016275 | -89.47059691 | -158.4343948 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.160512218 | null |
49b279cb5c334e902f45182bfcb8100ce226f2e7e2a049765d2801723e57a615 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,149 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'meL', 'Hyp(Et)', 'meL', 'T', 'meL', 'meV', 'Phe(4-CF3)', 'dPip', 'L', 'Asp_piperidide'] | 98 | 2150 | -5.85 | -5.85 | Circle | 9 | -2.7e-16 | -2.764078494 | -2.09e-16 | -2.899831927 | 1.94e-17 | -1.135234918 | 1.21e-15 | -0.249287763 | 3.112473686 | 8304.198962 | 202.0 | null | -5.85 | 178.2347216 | 165.7159326 | 48.71593263 | 93.62972691 | 82.98132909 | 24.78422642 | 17.18434582 | 17.18434582 | 10.54429265 | 10.54429265 | 6.407067956 | 6.407067956 | null | null | null | null | 519.9723857 | 57.73619345 | 70.70569135 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 102.8673328 | 1442.876431 | 0.637254902 | 1.235294118 | 1.823529412 | 0.753424658 | 198.0 | PEPTIDE2150{[Me_dA].[meL].[Hyp(Et)].[meL].T.[meL].[meV].[Phe(4-CF3)].[dPip].L.[Asp_piperidide]}$PEPTIDE2150,PEPTIDE2150,1:R1-11:R2$$$ | PEPTIDE2150{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/Phe(4-CF3)/">[Phe(4-CF3)]</a>.<a href=... | -7.43 | 102 | 1325.867 | 2150 | null | null | 5.26e+87 | 17.81763281 | 37.8384548 | 22.29939441 | 765.180414 | null | 18.08687559 | 0.415909837 | 18.08687559 | 0.415909837 | 2.688042553 | 0.390716755 | -8.387594468 | -0.390716755 | 4.3665 | 375.6056 | 1443.803 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 4 | 4 | 1 | 0 | 1 | 14 | 5 | 29 | 0 | 34 | 0 | 4 | 4 | 574 | pd377 | null | -9.927814068 | 0.519494484 | 70.2842024 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 6.176298517 | 57.53444621 | 0.0 | 13.17124514 | 0.0 | 80.60375859 | 131.4030027 | 204.9104369 | 52.88234213 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 5 | CCO[C@@H]1C[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccc(C(F)(F)F)cc3)C(=O)N3CCCC[C@@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C1 | 239.7236891 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 256.455773 | 67.42555848 | 35.29657781 | 0 | 0.0 | null | null | null | null | ['Me_dA', 'meL', 'Hyp(Et)', 'meL', 'T', 'meL', 'meV', 'Phe(4-CF3)', 'dPip', 'L', 'Asp_piperidide'] | [0.1353999999999999, 1.1616, 0.2945, 1.1616, -0.1918000000000002, 1.1616, 0.7715000000000001, 2.0348, 0.6696, 0.8193999999999995, 0.1758999999999995] | [20.31, 20.31, 29.54, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 29.1, 49.41] | 21.23925341 | 13.17124514 | 0.0 | 0.0 | 262.4078541 | 74.82053258 | 29.46978843 | 330.2015576 | 24.16967483 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2150 | null | 308.34 | null | 1122.363829 | 0.0 | 185.6928063 | -10.33460079 | -7.25533704 | -101.4935344 | -102.5377473 | -111.7707022 | -151.9147134 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 3 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.163035811 | null |
0825a7857e4029653adf00f60eb44b12572a1a53e3dfab7a5bdaa02e69c6ed82 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,150 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'Hyp(Et)', 'Ser(tBu)', 'meL', 'meL', 'P', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | 90 | 2151 | -5.92 | -5.92 | Circle | 1 | -3.46e-16 | -2.757899377 | -2.73e-16 | -2.885230013 | -1.39e-16 | -1.136007563 | 1.18e-15 | -0.249287767 | 2.735683249 | 8834.552723 | 250.0 | null | -5.92 | 183.90593 | 172.4902875 | 50.4902875 | 97.58961044 | 86.54623747 | 25.9019212 | 17.72329031 | 17.72329031 | 10.66736768 | 10.66736768 | 6.608703014 | 6.608703014 | null | null | null | null | 549.7507545 | 87.93396521 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 79.56443736 | 1466.915261 | 0.59047619 | 1.142857143 | 1.742857143 | 0.692307692 | 236.0 | PEPTIDE2151{[dL].[Hyp(Et)].[Ser(tBu)].[meL].[meL].P.T.[meF].F.[meL].[Asp_piperidide]}$PEPTIDE2151,PEPTIDE2151,1:R1-11:R2$$$ | PEPTIDE2151{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F... | -8.04 | 105 | 1344.927 | 2151 | null | null | 4.68e+90 | 17.80049862 | 39.5260127 | 24.23699966 | 793.3624427 | null | 18.26808322 | 0.390716755 | 18.26808322 | 0.247773756 | 2.288472481 | 0.247773756 | -8.456963481 | -0.390716755 | 3.9973 | 396.6983 | 1467.903 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 33 | 0 | 4 | 4 | 584 | pd378 | null | -8.153291615 | 2.80788808 | 75.43096898 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 126.3185184 | 198.8245007 | 70.44499514 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 6 | CCO[C@@H]1C[C@H]2C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N[C@H](CC(C)C)C(=O)N2C1 | 238.1841832 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 255.8805253 | 67.00871682 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'Hyp(Et)', 'Ser(tBu)', 'meL', 'meL', 'P', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 0.2945, 0.5883999999999996, 1.1616, 1.1616, 0.2794999999999998, -0.1918000000000002, 1.3581999999999996, 1.0159999999999998, 1.1616, 0.1758999999999995] | [29.1, 29.54, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 262.6921536 | 79.75402192 | 23.57583074 | 329.3116669 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2151 | null | 326.36 | null | 1134.660463 | 0.0 | 191.8001515 | -13.30118292 | -13.54878189 | -93.37913541 | -115.1099216 | -104.7571987 | -150.3643942 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.122907526 | null |
7b42dd068f9c797660f4f08c0197c43ef9c6063967b2ba7ffdb082fa95835784 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,151 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'P', 'Ser(tBu)', 'meL', 'meL', 'Hyp(Et)', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | 90 | 2152 | -5.77 | -5.77 | Circle | 4 | -2.72e-16 | -2.757901569 | -2.5e-16 | -2.885228836 | -1.24e-16 | -1.1360065 | 1.02e-15 | -0.249287767 | 2.733831839 | 8834.552723 | 250.0 | null | -5.77 | 183.90593 | 172.4902875 | 50.4902875 | 97.58961044 | 86.54623747 | 25.9019212 | 17.72329031 | 17.72329031 | 10.66736768 | 10.66736768 | 6.608703014 | 6.608703014 | null | null | null | null | 549.7507545 | 82.45093098 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 85.04747158 | 1466.915261 | 0.59047619 | 1.142857143 | 1.742857143 | 0.692307692 | 251.0 | PEPTIDE2152{[dL].P.[Ser(tBu)].[meL].[meL].[Hyp(Et)].T.[meF].F.[meL].[Asp_piperidide]}$PEPTIDE2152,PEPTIDE2152,1:R1-11:R2$$$ | PEPTIDE2152{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F... | -8.04 | 105 | 1344.927 | 2152 | null | null | 2.37e+91 | 17.80049862 | 39.5260127 | 24.23699966 | 793.3624427 | null | 18.35139258 | 0.390716755 | 18.35139258 | 0.247773756 | 2.312976555 | 0.247773756 | -8.474902052 | -0.390716755 | 3.9973 | 396.6983 | 1467.903 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 33 | 0 | 4 | 4 | 584 | pd379 | null | -8.186944221 | 2.766114315 | 75.43096898 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 126.3185184 | 198.8245007 | 70.44499514 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 6 | CCO[C@@H]1C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N[C@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C1 | 238.1841832 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 255.8805253 | 67.00871682 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'P', 'Ser(tBu)', 'meL', 'meL', 'Hyp(Et)', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 0.2794999999999998, 0.5883999999999996, 1.1616, 1.1616, 0.2945, -0.1918000000000002, 1.3581999999999996, 1.0159999999999998, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 20.31, 29.54, 38.33, 20.31, 29.1, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 262.6921536 | 79.75402192 | 23.57583074 | 329.3116669 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2152 | null | 326.36 | null | 1134.690515 | 0.0 | 191.686373 | -13.21722071 | -13.54935337 | -93.32760223 | -115.338343 | -104.7314378 | -150.212931 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.122907526 | null |
10c6a757da91cc7f961368fe299fe2239a683a9affb9865b2b2a5c1c55088530 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,152 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'Me_Nva', 'Ser(tBu)', 'meL', 'meL', 'L', 'T', 'Hyp(Et)', 'F', 'meL', 'Asp_piperidide'] | 93 | 2153 | -5.42 | -5.42 | Circle | 7 | -3.65e-16 | -2.757956981 | -3.68e-16 | -2.89195871 | -1.9e-16 | -1.136170811 | 6.04e-16 | -0.249287769 | 3.734772464 | 8394.174929 | 233.0 | null | -5.42 | 183.4418284 | 172.4902875 | 48.4902875 | 96.2028591 | 86.01984426 | 24.4283144 | 16.63788012 | 16.63788012 | 9.779715639 | 9.779715639 | 5.939968188 | 5.939968188 | null | null | null | null | 527.9649626 | 72.89670461 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 97.38429859 | 1420.930911 | 0.633663366 | 1.207920792 | 1.801980198 | 0.756756757 | 226.0 | PEPTIDE2153{[dV].[Me_Nva].[Ser(tBu)].[meL].[meL].L.T.[Hyp(Et)].F.[meL].[Asp_piperidide]}$PEPTIDE2153,PEPTIDE2153,1:R1-11:R2$$$ | PEPTIDE2153{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers... | -7.26 | 101 | 1296.883 | 2153 | null | null | 1.64e+90 | 16.54615376 | 39.97082252 | 25.59050233 | 774.69909 | null | 18.19687558 | 0.390716753 | 18.19687558 | 0.248113563 | 2.323838894 | 0.248113563 | -8.543541101 | -0.390716753 | 3.7045 | 383.494 | 1421.875 | Circle | 11 | 11 | null | 7 | 27 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 15 | 7 | 27 | 0 | 37 | 0 | 3 | 3 | 570 | pd380 | null | -8.661183141 | 1.677607909 | 75.8408726 | 66.19681715 | 8.47105247 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 111.9558317 | 120.2760997 | 194.1792674 | 63.59120236 | null | -5.42 | null | null | null | null | null | null | null | null | null | null | 4 | CCC[C@H]1C(=O)N[C@@H](COC(C)(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](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2C[C@H](OCC)C[C@H]2C(=O)N[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)N1C | 240.9667838 | 70.88615675 | 1.431199657 | 61.2583385 | 29.46978843 | 270.0632767 | 60.51185714 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['dV', 'Me_Nva', 'Ser(tBu)', 'meL', 'meL', 'L', 'T', 'Hyp(Et)', 'F', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 0.9156, 0.5883999999999996, 1.1616, 1.1616, 0.8193999999999995, -0.1918000000000002, 0.2945, 1.0159999999999998, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 38.33, 29.54, 29.1, 20.31, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 251.2953841 | 73.38109702 | 29.46978843 | 345.6746504 | 30.21209354 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2153 | null | 335.15 | null | 1140.540874 | 0.0 | 192.8797678 | -17.37826283 | -10.20736222 | -102.000533 | -103.0010646 | -98.7700675 | -163.5633512 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.103857139 | null |
2ae0a0f51ea1ab305884698b9ff122fc97ceac99ad388e0919e45f0e3f868b00 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,153 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'Me_Nva', 'L', 'meL', 'T', 'Hyp(Et)', 'meL', 'I', 'meL', 'P', 'Asp_piperidide'] | 89 | 2154 | -5.25 | -5.25 | Circle | 8 | -3.45e-16 | -2.757601734 | -4.08e-16 | -2.88372424 | -2.14e-16 | -1.135780379 | 1.31e-16 | -0.249287767 | 3.739306808 | 8117.862422 | 225.0 | null | -5.25 | 180.77062 | 170.5820392 | 46.58203921 | 93.99297557 | 85.16438238 | 23.46727971 | 16.06158675 | 16.06158675 | 9.879220999 | 9.879220999 | 6.058900196 | 6.058900196 | null | null | null | null | 510.8431011 | 75.55605468 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 94.64278148 | 1368.935997 | 0.567010309 | 1.134020619 | 1.701030928 | 0.830985915 | 217.0 | PEPTIDE2154{[Me_dL].[Me_Nva].L.[meL].T.[Hyp(Et)].[meL].I.[meL].P.[Asp_piperidide]}$PEPTIDE2154,PEPTIDE2154,1:R1-11:R2$$$ | PEPTIDE2154{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[me... | -6.44 | 97 | 1244.851 | 2154 | null | null | 7.87e+86 | 15.34639893 | 38.22312409 | 22.27791006 | 752.9212755 | null | 18.10999013 | 0.390716753 | 18.10999013 | 0.248113684 | 2.726737516 | 0.248113684 | -8.379517494 | -0.390716753 | 3.9313 | 369.1466 | 1369.843 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 4 | 4 | 0 | 0 | 0 | 14 | 5 | 26 | 0 | 39 | 0 | 4 | 4 | 552 | pd381 | null | -8.213725538 | -0.098058571 | 70.2842024 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 101.8204473 | 119.1697043 | 213.6158561 | 41.83585641 | null | -5.25 | null | null | null | null | null | null | null | null | null | null | 4 | CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2C[C@H](OCC)C[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 236.1477539 | 70.88615675 | 1.431199657 | 60.43853126 | 35.36374611 | 276.7291085 | 67.42555848 | 0.0 | 0 | 0.0 | null | null | null | null | ['Me_dL', 'Me_Nva', 'L', 'meL', 'T', 'Hyp(Et)', 'meL', 'I', 'meL', 'P', 'Asp_piperidide'] | [1.1616, 0.9156, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.2945, 1.1616, 0.8193999999999999, 1.1616, 0.2794999999999998, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 29.54, 20.31, 29.1, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 262.4078541 | 62.27130916 | 35.36374611 | 361.4925235 | 0.0 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2154 | null | 308.34 | null | 1138.216333 | 0.0 | 186.4946141 | -10.71159239 | 0.0 | -110.0288313 | -90.00704988 | -120.8265171 | -164.3869561 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.12997946 | null |
fa07e462c6f30cb7be127c86ce9a3477c2e3128728a0a54b70e177cf388b49fc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,154 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'Me_Nva', 'L', 'meL', 'T', 'P', 'meL', 'I', 'meL', 'Hyp(Et)', 'Asp_piperidide'] | 89 | 2155 | -5.34 | -5.34 | Circle | 5 | -3.78e-16 | -2.757582454 | -3.67e-16 | -2.883607225 | -2.38e-16 | -1.13578038 | 5.51e-16 | -0.249287767 | 3.745472818 | 8117.862422 | 218.0 | null | -5.34 | 180.77062 | 170.5820392 | 46.58203921 | 93.99297557 | 85.16438238 | 23.46727971 | 16.06158675 | 16.06158675 | 9.879220999 | 9.879220999 | 6.058900196 | 6.058900196 | null | null | null | null | 510.8431011 | 71.44377901 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 98.75505715 | 1368.935997 | 0.567010309 | 1.134020619 | 1.701030928 | 0.830985915 | 218.0 | PEPTIDE2155{[Me_dL].[Me_Nva].L.[meL].T.P.[meL].I.[meL].[Hyp(Et)].[Asp_piperidide]}$PEPTIDE2155,PEPTIDE2155,1:R1-11:R2$$$ | PEPTIDE2155{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_Nva/">[Me_Nva]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href... | -6.44 | 97 | 1244.851 | 2155 | null | null | 1.56e+88 | 15.34639893 | 38.22312409 | 22.27791006 | 752.9212755 | null | 18.31299529 | 0.390716753 | 18.31299529 | 0.248021298 | 2.786008989 | 0.248021298 | -8.467026079 | -0.390716753 | 3.9313 | 369.1466 | 1369.843 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 4 | 4 | 0 | 0 | 0 | 14 | 5 | 26 | 0 | 39 | 0 | 4 | 4 | 552 | pd382 | null | -8.319976568 | -0.141206189 | 70.2842024 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 101.8204473 | 119.1697043 | 213.6158561 | 41.83585641 | null | -5.34 | null | null | null | null | null | null | null | null | null | null | 4 | CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C[C@H](OCC)C[C@H]2C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 236.1477539 | 70.88615675 | 1.431199657 | 60.43853126 | 35.36374611 | 276.7291085 | 67.42555848 | 0.0 | 0 | 0.0 | null | null | null | null | ['Me_dL', 'Me_Nva', 'L', 'meL', 'T', 'P', 'meL', 'I', 'meL', 'Hyp(Et)', 'Asp_piperidide'] | [1.1616, 0.9156, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.2794999999999998, 1.1616, 0.8193999999999999, 1.1616, 0.2945, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 29.54, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 262.4078541 | 62.27130916 | 35.36374611 | 361.4925235 | 0.0 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2155 | null | 308.34 | null | 1138.437715 | 0.0 | 186.5470497 | -10.71618833 | 0.0 | -110.075464 | -89.97712174 | -120.984712 | -164.4812782 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.12997946 | null |
ff9150f379115d867ea799b5e12f9d5c10dc299116ea851ac054c27068742f4f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,155 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meI', 'Hyp(Et)', 'dPip', 'Ser(tBu)', 'meL', 'T', 'meL', 'meL', 'meL', 'Asp_piperidide'] | 95 | 2156 | -5.55 | -5.55 | Circle | 8 | -3.53e-16 | -2.760018497 | -4.11e-16 | -2.897749367 | -2.03e-16 | -1.136334211 | 4.13e-16 | -0.249287769 | 3.811341381 | 8343.709236 | 207.0 | null | -5.55 | 186.4777268 | 175.9902875 | 47.9902875 | 96.95008235 | 87.82263067 | 24.125528 | 16.69689711 | 16.69689711 | 10.05501973 | 10.05501973 | 6.156859222 | 6.156859222 | null | null | null | null | 523.9610716 | 87.89288168 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 87.7889887 | 1412.962211 | 0.6 | 1.17 | 1.72 | 0.835616438 | 202.0 | PEPTIDE2156{[dV].[meI].[Hyp(Et)].[dPip].[Ser(tBu)].[meL].T.[meL].[meL].[meL].[Asp_piperidide]}$PEPTIDE2156,PEPTIDE2156,1:R1-11:R2$$$ | PEPTIDE2156{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/dPip/">[dPip]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monome... | -6.48 | 100 | 1284.872 | 2156 | null | null | 1.88e+92 | 15.88055511 | 38.6929647 | 23.26909126 | 776.384587 | null | 18.38082979 | 0.390716755 | 18.38082979 | 0.247762917 | 2.816105221 | 0.247762917 | -8.660257254 | -0.390716755 | 3.9463 | 379.9436 | 1413.896 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 4 | 4 | 0 | 0 | 0 | 15 | 5 | 27 | 0 | 37 | 0 | 4 | 4 | 570 | pd383 | null | -9.535763494 | 0.48583941 | 75.02106536 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 88.59563031 | 133.3524557 | 216.3573732 | 56.73740958 | null | -5.55 | null | null | null | null | null | null | null | null | null | null | 4 | CCO[C@@H]1C[C@H]2C(=O)N3CCCC[C@@H]3C(=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](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](C(=O)N3CCCCC3)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2C1 | 246.367651 | 70.88615675 | 1.431199657 | 60.43853126 | 35.36374611 | 283.2880937 | 73.98454372 | 0.0 | 0 | 0.0 | null | null | null | null | ['dV', 'meI', 'Hyp(Et)', 'dPip', 'Ser(tBu)', 'meL', 'T', 'meL', 'meL', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.1616, 0.2945, 0.6696, 0.5883999999999996, 1.1616, -0.1918000000000002, 1.1616, 1.1616, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.54, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 274.5678902 | 67.00817212 | 35.36374611 | 367.9334921 | 0.0 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2156 | null | 317.57 | null | 1183.114617 | 0.0 | 187.5078458 | -10.90724881 | -6.713085681 | -112.3014547 | -91.45636508 | -106.8393491 | -187.6549592 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.137742797 | null |
1c9731afe404ae53390d4bb8fd9a021b83b432fbeba914a1b3bccfa3d553e812 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,156 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meI', 'Hyp(Et)', 'meL', 'Ser(tBu)', 'P', 'T', 'meL', 'meL', 'meL', 'Asp_piperidide'] | 92 | 2157 | -5.48 | -5.48 | Circle | 3 | -3.76e-16 | -2.758766666 | -3.91e-16 | -2.883953095 | -2.09e-16 | -1.136343971 | 3.89e-16 | -0.249287769 | 3.801655778 | 8343.709236 | 202.0 | null | -5.48 | 186.4777268 | 175.9902875 | 47.9902875 | 96.95008235 | 87.82263067 | 24.125528 | 16.69689711 | 16.69689711 | 9.999118027 | 9.999118027 | 6.162593704 | 6.162593704 | null | null | null | null | 523.9610716 | 83.78060602 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 91.90126436 | 1412.962211 | 0.59 | 1.16 | 1.71 | 0.835616438 | 187.0 | PEPTIDE2157{[dL].[meI].[Hyp(Et)].[meL].[Ser(tBu)].P.T.[meL].[meL].[meL].[Asp_piperidide]}$PEPTIDE2157,PEPTIDE2157,1:R1-11:R2$$$ | PEPTIDE2157{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/"... | -6.48 | 100 | 1284.872 | 2157 | null | null | 2.25e+91 | 15.88055511 | 38.6929647 | 23.5305103 | 776.384587 | null | 18.46404966 | 0.390716755 | 18.46404966 | 0.247762917 | 2.839365011 | 0.247762917 | -8.609487419 | -0.390716755 | 3.9463 | 379.9436 | 1413.896 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 4 | 4 | 0 | 0 | 0 | 15 | 5 | 27 | 0 | 38 | 0 | 4 | 4 | 570 | pd384 | null | -9.117955003 | 0.127686469 | 75.02106536 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 88.59563031 | 133.3524557 | 216.3573732 | 56.73740958 | null | -5.48 | null | null | null | null | null | null | null | null | null | null | 4 | CCO[C@@H]1C[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([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)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2C1 | 246.367651 | 70.88615675 | 1.431199657 | 60.43853126 | 35.36374611 | 283.2880937 | 73.98454372 | 0.0 | 0 | 0.0 | null | null | null | null | ['dL', 'meI', 'Hyp(Et)', 'meL', 'Ser(tBu)', 'P', 'T', 'meL', 'meL', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 1.1616, 0.2945, 1.1616, 0.5883999999999996, 0.2794999999999998, -0.1918000000000002, 1.1616, 1.1616, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.54, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 274.5678902 | 67.00817212 | 35.36374611 | 367.9334921 | 0.0 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2157 | null | 317.57 | null | 1181.726425 | 0.0 | 187.306914 | -10.76836787 | -6.663486069 | -111.5894375 | -91.05337552 | -107.7541934 | -186.4544783 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.129800214 | null |
ecf8ec9d2b53a3846a31205d35e0528122574b7a9bcb12002dcf2ad69152067c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,157 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meI', 'P', 'meL', 'Ser(tBu)', 'Hyp(Et)', 'T', 'meL', 'meL', 'meL', 'Asp_piperidide'] | 92 | 2158 | -5.47 | -5.47 | Circle | 9 | -3.84e-16 | -2.758768507 | -4.15e-16 | -2.883949824 | -2.09e-16 | -1.13634398 | 3.02e-16 | -0.249287769 | 3.799543284 | 8343.709236 | 223.0 | null | -5.47 | 186.4777268 | 175.9902875 | 47.9902875 | 96.95008235 | 87.82263067 | 24.125528 | 16.69689711 | 16.69689711 | 9.999118027 | 9.999118027 | 6.162593704 | 6.162593704 | null | null | null | null | 523.9610716 | 87.89288168 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 87.7889887 | 1412.962211 | 0.59 | 1.16 | 1.71 | 0.835616438 | 222.0 | PEPTIDE2158{[dL].[meI].P.[meL].[Ser(tBu)].[Hyp(Et)].T.[meL].[meL].[meL].[Asp_piperidide]}$PEPTIDE2158,PEPTIDE2158,1:R1-11:R2$$$ | PEPTIDE2158{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/Hyp(Et)/">[Hyp(Et)]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/"... | -6.48 | 100 | 1284.872 | 2158 | null | null | 7.31e+90 | 15.88055511 | 38.6929647 | 23.5305103 | 776.384587 | null | 18.32027738 | 0.390716755 | 18.32027738 | 0.247832056 | 2.823615936 | 0.247832056 | -8.641794846 | -0.390716755 | 3.9463 | 379.9436 | 1413.896 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 4 | 4 | 0 | 0 | 0 | 15 | 5 | 27 | 0 | 38 | 0 | 4 | 4 | 570 | pd385 | null | -9.084080226 | 0.155378216 | 75.02106536 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 88.59563031 | 133.3524557 | 216.3573732 | 56.73740958 | null | -5.47 | null | null | null | null | null | null | null | null | null | null | 4 | CCO[C@@H]1C[C@H]2C(=O)N[C@@H]([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)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N3CCCCC3)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N2C1 | 246.367651 | 70.88615675 | 1.431199657 | 60.43853126 | 35.36374611 | 283.2880937 | 73.98454372 | 0.0 | 0 | 0.0 | null | null | null | null | ['dL', 'meI', 'P', 'meL', 'Ser(tBu)', 'Hyp(Et)', 'T', 'meL', 'meL', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 0.5883999999999996, 0.2945, -0.1918000000000002, 1.1616, 1.1616, 1.1616, 0.1758999999999995] | [29.1, 20.31, 20.31, 20.31, 38.33, 29.54, 38.33, 20.31, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 274.5678902 | 67.00817212 | 35.36374611 | 367.9334921 | 0.0 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2158 | null | 317.57 | null | 1181.364419 | 0.0 | 187.3640538 | -10.83813484 | -6.716673115 | -111.432318 | -91.07191125 | -107.6411574 | -186.2782782 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.129800214 | null |
21e67b11e808d9ccc5418fcc0209916e2c868cf9db0ac1f2ea3e7dbee01096ae | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,158 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'L', 'Mono51', 'T', 'Bu_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 94 | 2159 | -5.64 | -5.64 | Circle | 3 | -2.85e-16 | -2.79799372 | -2.08e-16 | -2.889752934 | -2.56e-17 | -1.138712099 | 1.32e-15 | -0.249291109 | 3.162833845 | 8926.701229 | 223.0 | null | -5.64 | 187.6988233 | 175.3379682 | 51.33796816 | 99.13250366 | 87.76595365 | 26.12163738 | 17.79082827 | 17.79082827 | 10.4767393 | 10.4767393 | 6.229517016 | 6.229517016 | null | null | null | null | 556.2590974 | 70.11410398 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 100.1258157 | 1502.932803 | 0.682242991 | 1.289719626 | 1.897196262 | 0.696202532 | 215.0 | PEPTIDE2159{[dA].[meF].L.[Mono51].T.[Bu_Gly].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2159,PEPTIDE2159,1:R1-11:R2$$$ | PEPTIDE2159{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Mono51/">[Mono51]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/m... | -8.14 | 107 | 1378.935 | 2159 | null | null | 2.56e+92 | 18.3956515 | 41.43221117 | 26.89320918 | 806.7606826 | null | 18.26845557 | 0.390716754 | 18.26845557 | 0.24797005 | 2.345321969 | 0.24797005 | -8.648883052 | -0.390716754 | 5.6454 | 402.2183 | 1503.927 | Circle | 11 | 11 | null | 6 | 26 | null | null | 1 | 2 | 3 | 2 | 0 | 2 | 14 | 6 | 28 | 0 | 34 | 1 | 2 | 3 | 598 | pd386 | null | -9.450322004 | 3.247983172 | 70.69410603 | 60.17892468 | 7.059210392 | 78.23988558 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 121.1332817 | 126.3185184 | 207.3419589 | 65.37880257 | null | -5.64 | null | null | null | null | null | null | null | null | null | null | 5 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCC2CCCC(F)(F)C2)C(=O)N[C@@H]([C@@H](C)O)C1=O | 244.9696675 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 261.9720265 | 67.42555848 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'meF', 'L', 'Mono51', 'T', 'Bu_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 0.8193999999999995, 2.7212000000000005, -0.1918000000000002, 0.9172, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 8.780830095 | 0.0 | 0.0 | 256.9336139 | 75.01715897 | 23.57583074 | 344.3200666 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2159 | null | 317.13 | null | 1177.868779 | 0.0 | 189.6878829 | -14.06179626 | -13.84539998 | -103.1691433 | -109.5034275 | -118.2524178 | -148.9744774 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.099140563 | null |
8509fc0af48392db85b49cf39e3bb5c776932af5124ec94990762f8f2a904ef7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,159 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'Mono51', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 91 | 2160 | -5.46 | -5.46 | Circle | 4 | -3e-16 | -2.797203613 | -1.96e-16 | -2.890573367 | -3.45e-17 | -1.138739555 | 1.02e-15 | -0.249287767 | 3.147680624 | 8784.787278 | 228.0 | null | -5.46 | 185.1988233 | 172.8379682 | 50.83796816 | 97.88250366 | 86.51595365 | 25.87163738 | 17.80402487 | 17.80402487 | 10.4833376 | 10.4833376 | 6.229775429 | 6.229775429 | null | null | null | null | 549.8861725 | 66.00182831 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 101.4965743 | 1488.917153 | 0.632075472 | 1.216981132 | 1.811320755 | 0.692307692 | 212.0 | PEPTIDE2160{[dV].[meF].L.[meL].T.[Sar].[Mono51].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2160,PEPTIDE2160,1:R1-11:R2$$$ | PEPTIDE2160{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/Mono51/">[Mono51]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[... | -8.14 | 106 | 1366.924 | 2160 | null | null | 1.22e+91 | 18.32066114 | 40.16643476 | 25.79682363 | 797.5857995 | null | 18.34813129 | 0.390716756 | 18.34813129 | 0.24797005 | 2.345198555 | 0.24797005 | -8.490415277 | -0.390716756 | 5.1112 | 397.5313 | 1489.9 | Circle | 11 | 11 | null | 6 | 26 | null | null | 1 | 2 | 3 | 2 | 0 | 2 | 14 | 6 | 28 | 0 | 33 | 1 | 2 | 3 | 592 | pd387 | null | -9.446596894 | 3.160967005 | 70.69410603 | 60.17892468 | 7.059210392 | 78.23988558 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 121.6122489 | 118.9876591 | 205.079409 | 65.37880257 | null | -5.46 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CCC2CCCC(F)(F)C2)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 | 242.2281504 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 249.2261767 | 67.9045257 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'Mono51', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 2.7212000000000005, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 8.780830095 | 0.0 | 0.0 | 257.4125811 | 75.01715897 | 29.46978843 | 328.8326997 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2160 | null | 317.13 | null | 1158.949658 | 0.0 | 189.6012355 | -14.07563826 | -13.94197191 | -109.9442717 | -109.7057415 | -104.2874402 | -148.09583 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119964634 | null |
29449a74b186cc8a3afe4e056e7d50c61779cb73a75514b00f63c075d7616cb4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,160 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'L', 'meL', 'T', 'Bu_Gly', 'meV', 'L', 'meF', 'Mono51', 'Asp_piperidide'] | 87 | 2161 | -5.72 | -5.72 | Circle | 9 | -3.01e-16 | -2.797892202 | -2.47e-16 | -2.888221575 | -7.84e-17 | -1.138747516 | 9.71e-16 | -0.249291272 | 3.148589725 | 8804.948041 | 208.0 | null | -5.72 | 184.4917165 | 172.4297199 | 50.42971987 | 97.42539688 | 86.35770536 | 25.71338909 | 17.40551791 | 17.40551791 | 10.41934227 | 10.41934227 | 6.237975207 | 6.237975207 | null | null | null | null | 549.5140519 | 64.63106975 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 102.8673328 | 1472.922238 | 0.638095238 | 1.2 | 1.771428571 | 0.692307692 | 223.0 | PEPTIDE2161{[dA].[meF].L.[meL].T.[Bu_Gly].[meV].L.[meF].[Mono51].[Asp_piperidide]}$PEPTIDE2161,PEPTIDE2161,1:R1-11:R2$$$ | PEPTIDE2161{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href... | -8.1 | 105 | 1350.925 | 2161 | null | null | 1.49e+91 | 17.9366302 | 41.13526137 | 25.8388189 | 792.4722542 | null | 18.50843808 | 0.390716754 | 18.50843808 | 0.24797005 | 2.319012769 | 0.24797005 | -8.637141525 | -0.390716754 | 5.8764 | 395.9683 | 1473.901 | Circle | 11 | 11 | null | 6 | 25 | null | null | 1 | 2 | 3 | 2 | 0 | 2 | 13 | 6 | 27 | 0 | 36 | 1 | 2 | 3 | 586 | pd388 | null | -9.214366516 | 2.953301661 | 65.95724307 | 60.17892468 | 7.059210392 | 78.23988558 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 134.8370659 | 118.0297247 | 207.3419589 | 50.4772494 | null | -5.72 | null | null | null | null | null | null | null | null | null | null | 5 | CCCCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCC2CCCC(F)(F)C2)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](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@@H]([C@@H](C)O)C1=O | 237.4912874 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 255.8920085 | 60.86657324 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'meF', 'L', 'meL', 'T', 'Bu_Gly', 'meV', 'L', 'meF', 'Mono51', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.9172, 0.7715000000000001, 0.8193999999999995, 1.3581999999999996, 2.7212000000000005, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 8.780830095 | 0.0 | 0.0 | 244.7735778 | 70.28029601 | 29.46978843 | 341.0995823 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2161 | null | 307.9 | null | 1156.225222 | 0.0 | 189.316686 | -13.93607768 | -7.149895296 | -109.7560404 | -109.4128705 | -125.6776787 | -134.6093453 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0959363 | null |
de1026a0820f9170c904231d54b68e7cd4cec55492fe25e2ab5a99f7ac94ec20 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,161 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'Mono51', 'L', 'meF', 'T', 'Sar', 'meL', 'L', 'Me_Phe(3-Cl)', 'meA', 'Asp_piperidide'] | 93 | 2162 | -5.96 | -5.96 | Circle | 6 | -2.33e-16 | -2.798294299 | -1.89e-16 | -2.886371331 | 1.72e-17 | -1.138748444 | 1.54e-15 | -0.249287767 | 3.05800941 | 8441.392455 | 215.0 | null | -5.96 | 176.9917165 | 164.3076843 | 50.06361329 | 93.67539688 | 82.2966876 | 25.5303358 | 17.23269674 | 17.61066122 | 10.28362829 | 10.47261052 | 6.090365825 | 6.232102502 | null | null | null | null | 529.3754918 | 66.00182831 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 103.5022043 | 1464.836316 | 0.640776699 | 1.242718447 | 1.844660194 | 0.68 | 213.0 | PEPTIDE2162{[dV].[Mono51].L.[meF].T.[Sar].[meL].L.[Me_Phe(3-Cl)].[meA].[Asp_piperidide]}$PEPTIDE2162,PEPTIDE2162,1:R1-11:R2$$$ | PEPTIDE2162{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/Mono51/">[Mono51]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(... | -7.81 | 103 | 1350.345 | 2162 | null | null | 3.01e+87 | 18.40782763 | 39.34351309 | 24.93129789 | 773.8459006 | null | 17.98998352 | 0.390716756 | 17.98998352 | 0.24797005 | 2.201048018 | 0.24797005 | -8.552000328 | -0.390716756 | 5.3595 | 387.1273 | 1466.265 | Circle | 11 | 11 | null | 6 | 25 | null | null | 1 | 2 | 3 | 2 | 0 | 2 | 13 | 6 | 28 | 0 | 33 | 1 | 2 | 3 | 574 | pd389 | null | -9.500309702 | 3.394251791 | 65.95724307 | 60.17892468 | 7.059210392 | 78.23988558 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 115.0859327 | 123.7416372 | 204.6190081 | 49.10649085 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](CCC2CCCC(F)(F)C2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2cccc(Cl)c2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O | 227.8959775 | 82.48709664 | 1.431199657 | 60.84843488 | 29.46978843 | 236.2942666 | 61.34554045 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['dV', 'Mono51', 'L', 'meF', 'T', 'Sar', 'meL', 'L', 'Me_Phe(3-Cl)', 'meA', 'Asp_piperidide'] | [0.4292999999999995, 2.7212000000000005, 0.8193999999999995, 1.3581999999999996, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.8193999999999995, 2.0116, 0.1353999999999999, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 8.780830095 | 0.0 | 11.60093989 | 245.252545 | 70.28029601 | 29.46978843 | 311.9065305 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2162 | null | 307.9 | null | 1087.08958 | 6.086796354 | 187.7382186 | -15.99347504 | -6.857231568 | -107.4995949 | -104.012644 | -110.6343771 | -125.5561612 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.123532867 | null |
15b7ddb24809f2508828b28fda134991b1c8c99b98af6a65e8cce876a9d1709b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,163 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'Mono51', 'T', 'Sar', 'meV', 'Asp_piperidide'] | 85 | 2164 | -5.62 | -5.62 | Circle | 5 | -2.8e-16 | -2.797681425 | -2.23e-16 | -2.883890746 | -5.48e-17 | -1.138752581 | 1.21e-15 | -0.249287767 | 3.114420711 | 8551.33551 | 209.0 | null | -5.62 | 179.4917165 | 167.4297199 | 49.42971987 | 94.88672175 | 83.88409856 | 25.18699589 | 17.26732131 | 17.26732131 | 10.40248581 | 10.40248581 | 6.151171808 | 6.151171808 | null | null | null | null | 536.9612004 | 68.7022619 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 93.27202292 | 1444.890938 | 0.601941748 | 1.145631068 | 1.699029126 | 0.684210526 | 204.0 | PEPTIDE2164{[meA].L.[meL].[meF].L.[meF].[Mono51].T.[Sar].[meV].[Asp_piperidide]}$PEPTIDE2164,PEPTIDE2164,1:R1-11:R2$$$ | PEPTIDE2164{<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/Mono51/">[Mono51]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a hr... | -8.1 | 103 | 1326.903 | 2164 | null | null | 1.33e+88 | 17.7860002 | 39.13590962 | 24.23368628 | 774.2744028 | null | 18.44154932 | 0.390716756 | 18.44154932 | 0.24797005 | 2.393387182 | 0.24797005 | -8.500181267 | -0.390716756 | 5.0483 | 386.7446 | 1445.847 | Circle | 11 | 11 | null | 5 | 25 | null | null | 1 | 2 | 3 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 34 | 1 | 2 | 3 | 574 | pd391 | null | -8.662266447 | 2.97618223 | 65.54733945 | 60.17892468 | 5.647368313 | 78.23988558 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 121.6122489 | 111.6567998 | 210.6844773 | 50.4772494 | null | -5.62 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC2CCCC(F)(F)C2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 231.9671697 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 236.2942666 | 68.32136735 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'Mono51', 'T', 'Sar', 'meV', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 2.7212000000000005, -0.1918000000000002, -0.2531000000000001, 0.7715000000000001, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 257.1282817 | 70.28029601 | 29.46978843 | 317.3895647 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2164 | null | 299.11 | null | 1117.763081 | 0.0 | 185.1327445 | -10.29909043 | -7.256967192 | -108.465591 | -109.2354813 | -111.5541692 | -133.5845261 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.147268173 | null |
da3537bf1615c91a3f1777f7dda97e723668c7121f393a33f6caa2c301dbe7c7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,164 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meA', 'T', 'Bu_Gly', 'Mono51', 'Asp_piperidide'] | 88 | 2165 | -5.46 | -5.46 | Circle | 7 | -2.74e-16 | -2.797571341 | -2.39e-16 | -2.881589084 | -6.65e-17 | -1.138744883 | 9.53e-16 | -0.249291266 | 3.110913742 | 8692.796062 | 210.0 | null | -5.46 | 181.9917165 | 169.9297199 | 49.92971987 | 96.13672175 | 85.13409856 | 25.43699589 | 17.2541247 | 17.2541247 | 10.39588751 | 10.39588751 | 6.095011696 | 6.095011696 | null | null | null | null | 543.3341253 | 65.96074478 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 98.75505715 | 1458.906588 | 0.615384615 | 1.153846154 | 1.721153846 | 0.688311688 | 180.0 | PEPTIDE2165{[meA].L.[meL].[meF].L.[meF].[meA].T.[Bu_Gly].[Mono51].[Asp_piperidide]}$PEPTIDE2165,PEPTIDE2165,1:R1-11:R2$$$ | PEPTIDE2165{<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/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a hr... | -8.1 | 104 | 1338.914 | 2165 | null | null | 5.31e+89 | 17.86078626 | 40.40878655 | 24.76394818 | 783.449286 | null | 18.23938766 | 0.390716754 | 18.23938766 | 0.24797005 | 2.330472699 | 0.24797005 | -8.485267973 | -0.390716754 | 5.5825 | 391.4316 | 1459.874 | Circle | 11 | 11 | null | 5 | 25 | null | null | 1 | 2 | 3 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 35 | 1 | 2 | 3 | 580 | pd392 | null | -8.597624623 | 3.059578434 | 65.54733945 | 60.17892468 | 5.647368313 | 78.23988558 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 121.1332817 | 118.9876591 | 212.9470272 | 50.4772494 | null | -5.46 | null | null | null | null | null | null | null | null | null | null | 5 | CCCCN1CC(=O)N(C)[C@@H](CCC2CCCC(F)(F)C2)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)N(C)[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 234.7086868 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 249.0401164 | 67.84240014 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meA', 'T', 'Bu_Gly', 'Mono51', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 0.1353999999999999, -0.1918000000000002, 0.9172, 2.7212000000000005, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 256.6493145 | 70.28029601 | 23.57583074 | 332.8769316 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2165 | null | 299.11 | null | 1135.047005 | 0.0 | 185.4666262 | -10.37014083 | -7.029407168 | -101.6162445 | -108.1313529 | -124.9801549 | -134.6363307 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.121924592 | null |
77c9c7960e6cb1183614d4b01ef0202cb9e48a7832df1ec95e9775ba42e1786a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,166 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'Mono52', 'T', 'Bu_Gly', 'meL', 'L', 'meF', 'meA', 'Asp_piperidide'] | 87 | 2167 | -5.74 | -5.74 | Circle | 3 | -3.31e-16 | -2.800666758 | -2.74e-16 | -2.888267683 | -9.84e-17 | -1.13908394 | 9.49e-16 | -0.249291272 | 3.144588201 | 8804.948041 | 235.0 | null | -5.74 | 184.4917165 | 172.4297199 | 50.42971987 | 97.42539688 | 86.35770536 | 25.71338909 | 17.40551791 | 17.40551791 | 10.41934227 | 10.41934227 | 6.134827949 | 6.134827949 | null | null | null | null | 549.5140519 | 71.48486253 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 96.01354003 | 1472.922238 | 0.619047619 | 1.171428571 | 1.714285714 | 0.692307692 | 229.0 | PEPTIDE2167{[dV].[meF].L.[Mono52].T.[Bu_Gly].[meL].L.[meF].[meA].[Asp_piperidide]}$PEPTIDE2167,PEPTIDE2167,1:R1-11:R2$$$ | PEPTIDE2167{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Mono52/">[Mono52]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<... | -8.1 | 105 | 1350.925 | 2167 | null | null | 6.32e+90 | 17.9366302 | 41.13526137 | 25.8388189 | 792.4722542 | null | 18.22181496 | 0.390716754 | 18.22181496 | 0.247807006 | 2.336166541 | 0.247807006 | -8.644098899 | -0.390716754 | 5.8764 | 395.9683 | 1473.901 | Circle | 11 | 11 | null | 6 | 25 | null | null | 1 | 2 | 3 | 2 | 0 | 2 | 13 | 6 | 27 | 0 | 36 | 1 | 2 | 3 | 586 | pd394 | null | -9.238409882 | 2.93012209 | 65.95724307 | 60.17892468 | 7.059210392 | 78.23988558 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 128.464141 | 124.4026496 | 207.3419589 | 50.4772494 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 5 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](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](CC(C)C)C(=O)N(C)[C@@H](CCC2CCC(F)(F)CC2)C(=O)N[C@@H]([C@@H](C)O)C1=O | 237.4912874 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 255.8920085 | 60.86657324 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'Mono52', 'T', 'Bu_Gly', 'meL', 'L', 'meF', 'meA', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 2.7212000000000005, -0.1918000000000002, 0.9172, 1.1616, 0.8193999999999995, 1.3581999999999996, 0.1353999999999999, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 8.780830095 | 0.0 | 0.0 | 244.7735778 | 70.28029601 | 29.46978843 | 341.0995823 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2167 | null | 307.9 | null | 1155.040625 | 0.0 | 189.4730629 | -14.03644115 | -7.053324158 | -109.0351668 | -108.8678863 | -126.028242 | -134.4926278 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0959363 | null |
21a2a529f09ac4f7602891861b4ac6afea88b4d165f933621835784b8a77e3ea | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,167 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Bu_Gly', 'meF', 'L', 'meL', 'T', 'Sar', 'meF', 'Mono52', 'L', 'meV', 'Asp_piperidide'] | 88 | 2168 | -5.77 | -5.77 | Circle | 1 | -2.88e-16 | -2.80068023 | -2.29e-16 | -2.885000836 | -1.01e-16 | -1.139069547 | 8.19e-16 | -0.249291272 | 3.149051383 | 8800.948041 | 218.0 | null | -5.77 | 184.4917165 | 172.4297199 | 50.42971987 | 97.38672175 | 86.38409856 | 25.68699589 | 17.39232131 | 17.39232131 | 10.41395478 | 10.41395478 | 6.159827949 | 6.159827949 | null | null | null | null | 549.7070502 | 67.33150334 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 100.1258157 | 1472.922238 | 0.60952381 | 1.152380952 | 1.704761905 | 0.692307692 | 225.0 | PEPTIDE2168{[Bu_Gly].[meF].L.[meL].T.[Sar].[meF].[Mono52].L.[meV].[Asp_piperidide]}$PEPTIDE2168,PEPTIDE2168,1:R1-11:R2$$$ | PEPTIDE2168{<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</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/Mono52/">[Mono52]</a>.<a href="/monomers/L/">L</a>... | -8.1 | 105 | 1350.925 | 2168 | null | null | 1.32e+91 | 17.9366302 | 41.13526137 | 25.8388189 | 792.6241691 | null | 18.25690003 | 0.390716756 | 18.25690003 | 0.247727092 | 2.336657432 | 0.247727092 | -8.612679402 | -0.390716756 | 5.8301 | 396.0006 | 1473.901 | Circle | 11 | 11 | null | 5 | 25 | null | null | 1 | 2 | 3 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 36 | 1 | 2 | 3 | 586 | pd395 | null | -9.014670311 | 3.144051333 | 65.54733945 | 54.16103222 | 5.647368313 | 78.23988558 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 128.464141 | 117.5507574 | 214.3177858 | 58.34486764 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 5 | CCCCN1CC(=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@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCC2CCC(F)(F)CC2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC1=O | 237.4502039 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 243.0222239 | 74.33925982 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Bu_Gly', 'meF', 'L', 'meL', 'T', 'Sar', 'meF', 'Mono52', 'L', 'meV', 'Asp_piperidide'] | [0.9172, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 2.7212000000000005, 0.8193999999999995, 0.7715000000000001, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 257.1282817 | 70.28029601 | 29.46978843 | 335.6184487 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2168 | null | 299.11 | null | 1155.402332 | 0.0 | 186.2951359 | -10.65382087 | -7.055634901 | -109.3855432 | -101.4034747 | -126.0774846 | -142.1215091 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.110772983 | null |
3b4c0adb4d1715ce7071bec6f376ead210d69f61b07e45de028e430e4888d1dd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,168 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meL', 'Mono53', 'meL', 'T', 'isoamyl_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 101 | 2169 | -5.82 | -5.82 | Circle | 5 | -3.49e-16 | -2.757588242 | -2.79e-16 | -2.890173271 | -1.06e-16 | -1.142767665 | 6.9e-16 | -0.249291046 | 3.759369369 | 8789.456246 | 218.0 | null | -5.82 | 187.90593 | 176.4764664 | 50.4764664 | 99.03831664 | 88.00602317 | 25.3617069 | 17.34905902 | 17.34905902 | 10.07247065 | 10.07247065 | 5.935690535 | 5.935690535 | null | null | null | null | 551.2637183 | 70.11410398 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.82964967 | 102.8673328 | 1470.957795 | 0.657142857 | 1.247619048 | 1.819047619 | 0.701298701 | 220.0 | PEPTIDE2169{[dA].[meL].[Mono53].[meL].T.[isoamyl_Gly].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2169,PEPTIDE2169,1:R1-11:R2$$$ | PEPTIDE2169{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono53/">[Mono53]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/isoamyl_Gly/">[isoamyl_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a h... | -8.27 | 105 | 1344.931 | 2169 | null | null | 1.12e+91 | 17.39717541 | 41.01153356 | 26.92679959 | 800.8599235 | null | 18.27953868 | 0.390716754 | 18.27953868 | 0.247807169 | 1.394759642 | 0.247807169 | -8.348614675 | -0.390716754 | 3.7928 | 402.2033 | 1471.939 | Circle | 11 | 11 | null | 6 | 28 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 16 | 6 | 28 | 0 | 39 | 0 | 2 | 2 | 588 | pd396 | null | -8.763396974 | 4.385119198 | 75.59401576 | 65.99678746 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 0.0 | 104.7734334 | 125.509045 | 220.2036923 | 62.63728546 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)CCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(N(C)C)nc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 238.9303545 | 76.70401953 | 1.431199657 | 65.8324134 | 29.46978843 | 238.3676243 | 86.27712201 | 59.59672915 | 0 | 0.0 | null | null | null | null | ['dA', 'meL', 'Mono53', 'meL', 'T', 'isoamyl_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [-0.2068000000000003, 1.1616, 0.4769999999999994, 1.1616, -0.1918000000000002, 1.1632, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 45.23, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.4489765 | 5.817862778 | 0.0 | 0.0 | 269.946717 | 75.01715897 | 29.46978843 | 329.3797107 | 48.46982616 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2169 | null | 333.26 | null | 1155.963581 | 0.0 | 191.2176544 | -13.80987873 | -14.02431069 | -104.1269055 | -101.5607192 | -80.43415593 | -177.3919325 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.116523571 | null |
37134abc0192ff42eb8bbd64767b82364354816a0ce6c816437f31b546a28506 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,169 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'L', 'meL', 'meF', 'Mono53', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | 89 | 2170 | -5.92 | -5.92 | Circle | 3 | -3.51e-16 | -2.758614512 | -3.29e-16 | -2.889495206 | -1.19e-16 | -1.136022083 | 6.84e-16 | -0.249287769 | 3.775380806 | 9035.44286 | 233.0 | null | -5.92 | 192.1988233 | 181.0682181 | 51.06821811 | 101.0425347 | 90.37416808 | 25.6770654 | 17.45055205 | 17.45055205 | 10.31540806 | 10.31540806 | 6.113774947 | 6.113774947 | null | null | null | null | 563.8304458 | 87.89288168 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 10.09278671 | 90.53050581 | 1482.99418 | 0.528301887 | 1.009433962 | 1.547169811 | 0.708860759 | 212.0 | PEPTIDE2170{[Mono6].[meL].L.[meL].[meF].[Mono53].[meL].T.[meL].[meL].[Asp_piperidide]}$PEPTIDE2170,PEPTIDE2170,1:R1-11:R2$$$ | PEPTIDE2170{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono53/">[Mono53]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[meL]... | -8.23 | 106 | 1352.954 | 2170 | null | null | 1.9400000000000002e+93 | 17.19207896 | 42.34894222 | 26.61563376 | 814.2480593 | null | 18.46722877 | 0.390716755 | 18.46722877 | 0.247762917 | 1.428048301 | 0.247762917 | -8.457477566 | -0.390716755 | 5.1462 | 409.8146 | 1483.994 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 15 | 5 | 27 | 0 | 42 | 0 | 2 | 2 | 594 | pd397 | null | -9.165780116 | 4.398757612 | 70.44724918 | 65.99678746 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 0.0 | 118.4772177 | 123.1142089 | 252.865098 | 38.4973555 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(N(C)C)nc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 239.6354422 | 76.70401953 | 1.431199657 | 65.42250978 | 35.36374611 | 244.5544889 | 87.17293089 | 59.59672915 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'L', 'meL', 'meF', 'Mono53', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.4769999999999994, 1.1616, -0.1918000000000002, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 45.23, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.13916314 | 5.817862778 | 0.0 | 0.0 | 270.1413848 | 70.28029601 | 35.36374611 | 348.0214188 | 48.46982616 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2170 | null | 315.24 | null | 1193.758383 | 0.0 | 188.4767807 | -10.56547058 | -7.359832702 | -111.7343281 | -103.06752 | -111.6264039 | -163.0482752 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 10 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.121535524 | null |
90a681efce2594df5d3f3b3e7b014fc6561a16dca2e8c50cc50aaea53e6ede4b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,170 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Mono53', 'meL', 'meF', 'L', 'meA', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide'] | 90 | 2171 | -5.57 | -5.57 | Circle | 1 | -3.08e-16 | -2.757972847 | -2.92e-16 | -2.883285216 | -7.33e-17 | -1.135216156 | 9.91e-16 | -0.249291367 | 3.672449456 | 8449.803443 | 240.0 | null | -5.57 | 179.6988233 | 168.5682181 | 48.56821811 | 94.79253473 | 84.12416808 | 24.4270654 | 16.56235545 | 16.56235545 | 9.929118872 | 9.929118872 | 5.773234365 | 5.773234365 | null | null | null | null | 531.9658213 | 61.84846912 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 10.09278671 | 102.8673328 | 1412.91593 | 0.613861386 | 1.198019802 | 1.801980198 | 0.689189189 | 218.0 | PEPTIDE2171{[meA].[Mono53].[meL].[meF].L.[meA].[meL].T.[Bu_Gly].[meL].[Asp_piperidide]}$PEPTIDE2171,PEPTIDE2171,1:R1-11:R2$$$ | PEPTIDE2171{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono53/">[Mono53]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gl... | -8.23 | 101 | 1292.899 | 2171 | null | null | 1.26e+86 | 16.78135006 | 39.83603321 | 24.49139822 | 768.3736437 | null | 18.27521266 | 0.390716754 | 18.27521266 | 0.247807006 | 1.349249392 | 0.247807006 | -8.236860189 | -0.390716754 | 3.4839 | 386.8696 | 1413.859 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 15 | 5 | 27 | 0 | 39 | 0 | 2 | 2 | 564 | pd398 | null | -7.495100786 | 4.274211466 | 70.44724918 | 65.99678746 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 0.0 | 104.2944662 | 112.284228 | 223.0672435 | 47.73573229 | null | -5.57 | null | null | null | null | null | null | null | null | null | 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](Cc2ccc(N(C)C)nc2)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](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 225.9278567 | 76.70401953 | 1.431199657 | 65.42250978 | 23.57583074 | 224.9567469 | 86.69396367 | 59.59672915 | 0 | 0.0 | null | null | null | null | ['meA', 'Mono53', 'meL', 'meF', 'L', 'meA', 'meL', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.4769999999999994, 1.1616, 1.3581999999999996, 0.8193999999999995, 0.1353999999999999, 1.1616, -0.1918000000000002, 0.9172, 1.1616, 0.1758999999999995] | [20.31, 45.23, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.13916314 | 5.817862778 | 0.0 | 0.0 | 269.6624176 | 70.28029601 | 23.57583074 | 314.7160914 | 48.46982616 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2171 | null | 315.24 | null | 1092.807603 | 0.0 | 186.6588726 | -10.07054651 | -7.090708061 | -95.36351663 | -99.6543351 | -93.03233568 | -155.6717004 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 10 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.142722017 | null |
0f041d013ba78f5e5223c31c15365d30bcd1e121d9358b1e636977649fd0fb7d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,171 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'L', 'meL', 'Me_Phe(3-Cl)', 'Mono53', 'meA', 'meL', 'T', 'Bu_Gly', 'meA', 'Asp_piperidide'] | 99 | 2172 | -5.82 | -5.82 | Circle | 9 | -2.89e-16 | -2.757600512 | -2.58e-16 | -2.883214621 | -3.88e-17 | -1.135789063 | 9.86e-16 | -0.249291272 | 3.653568649 | 8334.600845 | 223.0 | null | -5.82 | 177.1988233 | 165.4461826 | 49.20211153 | 93.54253473 | 82.56315031 | 24.74401211 | 16.62633769 | 17.00430216 | 10.01701169 | 10.20599393 | 5.835069072 | 5.976805749 | null | null | null | null | 524.573111 | 61.84846912 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 10.09278671 | 110.355997 | 1432.861307 | 0.673267327 | 1.316831683 | 1.95049505 | 0.684931507 | 235.0 | PEPTIDE2172{[meV].L.[meL].[Me_Phe(3-Cl)].[Mono53].[meA].[meL].T.[Bu_Gly].[meA].[Asp_piperidide]}$PEPTIDE2172,PEPTIDE2172,1:R1-11:R2$$$ | PEPTIDE2172{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/Mono53/">[Mono53]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monome... | -7.94 | 101 | 1316.341 | 2172 | null | null | 1e+85 | 17.37405308 | 39.47497034 | 24.08870542 | 768.0970563 | null | 18.32615004 | 0.390716754 | 18.32615004 | 0.247807006 | 1.338330906 | 0.247807006 | -8.327091928 | -0.390716754 | 3.7472 | 387.2626 | 1434.277 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 15 | 5 | 28 | 0 | 38 | 0 | 2 | 2 | 564 | pd399 | null | -8.293798748 | 4.790597301 | 70.44724918 | 65.99678746 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 0.0 | 97.76814997 | 117.9961405 | 225.3483598 | 46.36497374 | null | -5.82 | null | null | null | null | null | null | null | null | null | 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)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](Cc2ccc(N(C)C)nc2)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 221.815581 | 88.30495942 | 1.431199657 | 65.42250978 | 23.57583074 | 218.583822 | 86.69396367 | 58.57694375 | 0 | 0.0 | null | null | null | null | ['meV', 'L', 'meL', 'Me_Phe(3-Cl)', 'Mono53', 'meA', 'meL', 'T', 'Bu_Gly', 'meA', 'Asp_piperidide'] | [0.7715000000000001, 0.8193999999999995, 1.1616, 2.0116, 0.4769999999999994, 0.1353999999999999, 1.1616, -0.1918000000000002, 0.9172, 0.1353999999999999, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 45.23, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.13916314 | 5.817862778 | 0.0 | 11.60093989 | 269.6624176 | 70.28029601 | 23.57583074 | 304.2308908 | 42.42740746 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2172 | null | 315.24 | null | 1065.427424 | 6.149961438 | 186.3472257 | -12.39480208 | -7.014386584 | -95.36611618 | -96.29705929 | -85.00072855 | -155.4070744 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 10 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.150679685 | null |
3bc6e950aef6fdb88085e3fe5a63418d8d395a584e3c1fb5146b2d7014929646 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,173 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'Me_Ser(Pr)', 'Mono53', 'Me_Phe(3-Cl)', 'meA', 'T', 'isoamyl_Gly', 'meV', 'Asp_piperidide'] | 111 | 2174 | -5.54 | -5.54 | Circle | 2 | -2.79e-16 | -2.757899813 | -2.54e-16 | -2.884994262 | -3.93e-17 | -1.142618525 | 9.91e-16 | -0.249290721 | 3.666046366 | 8482.900754 | 234.0 | null | -5.54 | 180.40593 | 168.3544309 | 50.11035982 | 95.24964151 | 83.9713986 | 25.1522604 | 16.80752391 | 17.18548838 | 10.08587768 | 10.27485992 | 5.823917135 | 5.965653813 | null | null | null | null | 531.3181566 | 65.96074478 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.82964967 | 108.9852385 | 1462.871872 | 0.699029126 | 1.349514563 | 2.0 | 0.689189189 | 235.0 | PEPTIDE2174{[meA].L.[meL].[Me_Ser(Pr)].[Mono53].[Me_Phe(3-Cl)].[meA].T.[isoamyl_Gly].[meV].[Asp_piperidide]}$PEPTIDE2174,PEPTIDE2174,1:R1-11:R2$$$ | PEPTIDE2174{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Ser(Pr)/">[Me_Ser(Pr)]</a>.<a href="/monomers/Mono53/">[Mono53]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a... | -7.98 | 103 | 1344.351 | 2174 | null | null | 1.24e+87 | 17.83429727 | 40.90830606 | 25.1215893 | 782.3854847 | null | 18.2499423 | 0.390716754 | 18.2499423 | 0.247807168 | 1.362136407 | 0.247807168 | -8.352835506 | -0.390716754 | 3.3737 | 393.4646 | 1464.303 | Circle | 11 | 11 | null | 5 | 28 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 16 | 5 | 29 | 0 | 40 | 0 | 2 | 2 | 576 | pd401 | null | -8.86698233 | 4.656436258 | 75.18411214 | 65.99678746 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 0.0 | 91.39522507 | 117.9961405 | 229.1658279 | 58.4069932 | null | -5.54 | null | null | null | null | null | null | null | null | null | null | 4 | CCCOC[C@H]1C(=O)N[C@@H](Cc2ccc(N(C)C)nc2)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(CCC(C)C)CC(=O)N(C)[C@@H](C(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)N1C | 229.2939611 | 88.30495942 | 1.431199657 | 65.42250978 | 23.57583074 | 212.2108971 | 99.81193416 | 58.57694375 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'Me_Ser(Pr)', 'Mono53', 'Me_Phe(3-Cl)', 'meA', 'T', 'isoamyl_Gly', 'meV', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 0.5421, 0.4769999999999994, 2.0116, 0.1353999999999999, -0.1918000000000002, 1.1632, 0.7715000000000001, 0.1758999999999995] | [20.31, 29.1, 20.31, 29.54, 45.23, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.13916314 | 5.817862778 | 0.0 | 11.60093989 | 282.7803881 | 75.01715897 | 23.57583074 | 300.599483 | 42.42740746 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2174 | null | 324.47 | null | 1086.278355 | 6.141812497 | 186.5795912 | -12.38133962 | -7.01805436 | -95.19140912 | -96.31579092 | -77.66300432 | -169.2357154 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 10 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.125941747 | null |
3397262d49798bcb942b257b5cc74eef7fa51b36104fef0d1d4f21d8c68e8816 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,174 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Bu_Gly', 'meL', 'Mono53', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(isoamyl)', 'meA', 'Asp_piperidide'] | 101 | 2175 | -6.0 | -6 | Circle | 1 | -3.31e-16 | -2.757336026 | -2.7e-16 | -2.883368866 | -7.9e-17 | -1.146414813 | 8.72e-16 | -0.249291825 | 3.646062283 | 8599.850263 | 246.0 | null | -6.0 | 182.90593 | 171.4764664 | 49.4764664 | 96.49964151 | 85.53241637 | 24.8353137 | 16.63173827 | 16.63173827 | 9.841748729 | 9.841748729 | 5.683617369 | 5.683617369 | null | null | null | null | 538.7108669 | 61.84846912 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.82964967 | 105.6088499 | 1442.926495 | 0.660194175 | 1.262135922 | 1.854368932 | 0.693333333 | 213.0 | PEPTIDE2175{[Bu_Gly].[meL].[Mono53].[meL].T.[Sar].[meF].[meL].[Ser(isoamyl)].[meA].[Asp_piperidide]}$PEPTIDE2175,PEPTIDE2175,1:R1-11:R2$$$ | PEPTIDE2175{<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono53/">[Mono53]</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/Ser... | -8.27 | 103 | 1320.909 | 2175 | null | null | 1.23e+88 | 17.23717377 | 41.87727019 | 26.43418092 | 782.6620721 | null | 18.02665835 | 0.390716756 | 18.02665835 | 0.247548563 | 1.368226704 | 0.247548563 | -8.155807179 | -0.390716756 | 3.112 | 393.0936 | 1443.885 | Circle | 11 | 11 | null | 5 | 28 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 16 | 5 | 28 | 0 | 41 | 0 | 2 | 2 | 576 | pd402 | null | -7.895842859 | 4.293019255 | 75.18411214 | 59.97889499 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 0.0 | 104.2944662 | 105.4323359 | 225.5139531 | 67.64537 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(N(C)C)nc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N2CCCCC2)CC1=O | 233.4062367 | 76.70401953 | 1.431199657 | 65.42250978 | 23.57583074 | 212.0869623 | 106.3087938 | 59.59672915 | 0 | 0.0 | null | null | null | null | ['Bu_Gly', 'meL', 'Mono53', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(isoamyl)', 'meA', 'Asp_piperidide'] | [0.9172, 1.1616, 0.4769999999999994, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.8359999999999994, 0.1353999999999999, 0.1758999999999995] | [20.31, 20.31, 45.23, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 26.13916314 | 5.817862778 | 0.0 | 0.0 | 283.2593553 | 75.01715897 | 23.57583074 | 310.6057164 | 48.46982616 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2175 | null | 324.47 | null | 1110.424866 | 0.0 | 186.210821 | -10.09373292 | -7.064560908 | -94.13675102 | -91.43970097 | -91.93231156 | -168.6352964 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 10 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.112163673 | null |
ada3f7a7f5278a28152903d3c3ade6677147057c02813c492aa49f456db3052a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,175 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'L', 'Me_Abu', 'meF', 'A', 'meF', 'Me_Abu', 'T', 'pentyl_Gly', 'meL', 'Asp_piperidide'] | 95 | 2176 | -5.05 | -5.05 | Circle | 7 | -2.64e-16 | -2.758566085 | -2.73e-16 | -2.882772929 | -7.39e-17 | -1.137511941 | 7.29e-16 | -0.249291728 | 3.597571291 | 8084.905286 | 198.0 | null | -5.05 | 171.4917165 | 160.6737909 | 46.67379092 | 90.63672175 | 80.25613409 | 23.55903142 | 15.80473166 | 15.80473166 | 9.693708675 | 9.693708675 | 5.678609453 | 5.678609453 | null | null | null | null | 512.877831 | 52.25315922 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 104.2380914 | 1354.862832 | 0.597938144 | 1.175257732 | 1.762886598 | 0.666666667 | 167.0 | PEPTIDE2176{[meV].L.[Me_Abu].[meF].A.[meF].[Me_Abu].T.[pentyl_Gly].[meL].[Asp_piperidide]}$PEPTIDE2176,PEPTIDE2176,1:R1-11:R2$$$ | PEPTIDE2176{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/pentyl_Gly/">[p... | -7.96 | 97 | 1240.863 | 2176 | null | null | 3.38e+81 | 16.25706479 | 38.84275538 | 22.80877018 | 735.8695127 | null | 17.68679389 | 0.390716754 | 17.68679389 | 0.247807007 | 2.222728033 | 0.247807007 | -8.146862753 | -0.390716754 | 3.7769 | 370.2006 | 1355.775 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 35 | 0 | 2 | 2 | 540 | pd403 | null | -6.067277054 | 3.432309751 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 134.8370659 | 93.49595948 | 191.9766261 | 50.4772494 | null | -5.05 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCCN1CC(=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](CC(C)C)C(=O)N(C)[C@@H](CC)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C1=O | 217.7033053 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 224.4777797 | 67.84240014 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meV', 'L', 'Me_Abu', 'meF', 'A', 'meF', 'Me_Abu', 'T', 'pentyl_Gly', 'meL', 'Asp_piperidide'] | [0.7715000000000001, 0.8193999999999995, 0.5255000000000001, 1.3581999999999996, -0.2068000000000003, 1.3581999999999996, 0.5255000000000001, -0.1918000000000002, 1.3073, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 250.7267853 | 70.28029601 | 17.68187306 | 306.0125728 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2176 | null | 299.11 | null | 1036.701191 | 0.0 | 184.1238952 | -9.817631874 | -6.643663086 | -85.19418679 | -104.4863468 | -94.52697331 | -138.6562846 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.141192366 | null |
70224b8265e1570cd20e8b062921cf9b8d158fa7b691f6a22701c1afc3c75a33 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,176 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'V', 'meA', 'T', 'pentyl_Gly', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 96 | 2177 | -5.89 | -5.89 | Circle | 1 | -3.17e-16 | -2.757876659 | -2.78e-16 | -2.886559508 | -9.53e-17 | -1.137545082 | 8.25e-16 | -0.249291744 | 3.618292955 | 8189.052414 | 213.0 | null | -5.89 | 174.6988233 | 163.5820392 | 47.58203921 | 92.34382853 | 81.66438238 | 23.96727971 | 16.20323862 | 16.20323862 | 9.53896787 | 9.53896787 | 5.516608872 | 5.516608872 | null | null | null | null | 519.6228766 | 63.21922767 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 96.01354003 | 1384.873396 | 0.636363636 | 1.212121212 | 1.767676768 | 0.671232877 | 207.0 | PEPTIDE2177{[Sar].[meF].V.[meA].T.[pentyl_Gly].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2177,PEPTIDE2177,1:R1-11:R2$$$ | PEPTIDE2177{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu... | -8.0 | 99 | 1268.873 | 2177 | null | null | 1.8099999999999998e+83 | 16.71428571 | 39.11604938 | 24.99049805 | 750.1579411 | null | 18.15557131 | 0.390716754 | 18.15557131 | 0.247807006 | 2.197991091 | 0.247807006 | -8.303716066 | -0.390716754 | 3.4034 | 376.4026 | 1385.801 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 552 | pd404 | null | -6.689398526 | 3.812559656 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.1332817 | 101.305786 | 190.6058675 | 73.24642081 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCCN1CC(=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](C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 218.1669804 | 80.89824507 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'V', 'meA', 'T', 'pentyl_Gly', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.4292999999999995, 0.1353999999999999, -0.1918000000000002, 1.3073, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3657886 | 75.01715897 | 17.68187306 | 302.8601322 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2177 | null | 308.34 | null | 1058.013256 | 0.0 | 183.9246256 | -9.91902703 | -13.48821562 | -85.0018875 | -97.84153471 | -80.38641192 | -159.050805 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.141954735 | null |
cc605d0e8ba46dd5666fb7db05728a7889cbaef16a6080686d8cefa5e95702d4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,177 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['pentyl_Gly', 'meF', 'L', 'Me_Abu', 'T', 'Sar', 'meF', 'Me_Abu', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 102 | 2178 | -5.66 | -5.66 | Circle | 6 | -2.88e-16 | -2.758386668 | -2.4e-16 | -2.88414479 | -1.02e-16 | -1.137546141 | 1.04e-15 | -0.249291737 | 3.621660115 | 8206.562189 | 250.0 | null | -5.66 | 174.6988233 | 163.5820392 | 47.58203921 | 92.34382853 | 81.66438238 | 23.96727971 | 16.07823862 | 16.07823862 | 9.53896787 | 9.53896787 | 5.544559722 | 5.544559722 | null | null | null | null | 519.6228766 | 59.106952 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 100.1258157 | 1384.873396 | 0.616161616 | 1.161616162 | 1.737373737 | 0.671232877 | 248.0 | PEPTIDE2178{[pentyl_Gly].[meF].L.[Me_Abu].T.[Sar].[meF].[Me_Abu].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2178,PEPTIDE2178,1:R1-11:R2$$$ | PEPTIDE2178{<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/mono... | -8.0 | 99 | 1268.873 | 2178 | null | null | 4.5599999999999996e+83 | 16.71428571 | 39.70204945 | 24.99049805 | 750.1579411 | null | 17.92933372 | 0.390716756 | 17.92933372 | 0.247548563 | 2.236876074 | 0.247548563 | -8.323935447 | -0.390716756 | 3.5475 | 376.4726 | 1385.801 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 552 | pd405 | null | -6.590793938 | 3.920650614 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.1332817 | 101.305786 | 190.6058675 | 73.24642081 | null | -5.66 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC)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)CC1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 11.78791537 | 224.0609381 | 80.89824507 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['pentyl_Gly', 'meF', 'L', 'Me_Abu', 'T', 'Sar', 'meF', 'Me_Abu', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [1.3073, 1.3581999999999996, 0.8193999999999995, 0.5255000000000001, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 0.5255000000000001, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3657886 | 75.01715897 | 11.78791537 | 308.7540899 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2178 | null | 308.34 | null | 1057.371463 | 0.0 | 184.1278228 | -9.992511399 | -13.38217391 | -77.85495275 | -97.54516462 | -94.87314322 | -151.6013395 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.133485444 | null |
42df2406d7a8c494725384af5f4262211d688140cf719597b36a3322c979da26 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,178 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'I', 'Me_Abu', 'T', 'Sar', 'pentyl_Gly', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 98 | 2179 | -5.96 | -5.96 | Circle | 1 | -2.87e-16 | -2.758030928 | -2.76e-16 | -2.887727508 | -9.82e-17 | -1.137536959 | 8.39e-16 | -0.249291759 | 3.640879593 | 8333.891865 | 226.0 | null | -5.96 | 177.1988233 | 166.0820392 | 48.08203921 | 93.63250366 | 82.88798918 | 24.24367291 | 16.22963183 | 16.22963183 | 9.569020924 | 9.569020924 | 5.609405166 | 5.609405166 | null | null | null | null | 525.8028031 | 64.63106975 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 97.38429859 | 1398.889046 | 0.64 | 1.24 | 1.84 | 0.675675676 | 224.0 | PEPTIDE2179{[dL].[meF].I.[Me_Abu].T.[Sar].[pentyl_Gly].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2179,PEPTIDE2179,1:R1-11:R2$$$ | PEPTIDE2179{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/mo... | -8.0 | 100 | 1280.884 | 2179 | null | null | 1.28e+85 | 16.7923472 | 40.44444444 | 25.56169099 | 759.1809093 | null | 18.24650305 | 0.390716756 | 18.24650305 | 0.247548564 | 2.314484024 | 0.247548564 | -8.272879848 | -0.390716756 | 3.8414 | 381.0093 | 1399.828 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 34 | 0 | 2 | 2 | 558 | pd406 | null | -7.126016359 | 3.871101829 | 70.69410603 | 54.16103222 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 134.3580987 | 100.8268188 | 185.0007992 | 73.24642081 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCCN1CC(=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](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC1=O | 227.964286 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 230.9128302 | 73.92241817 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'I', 'Me_Abu', 'T', 'Sar', 'pentyl_Gly', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999999, 0.5255000000000001, -0.1918000000000002, -0.2531000000000001, 1.3073, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 75.01715897 | 17.68187306 | 316.9767406 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2179 | null | 317.13 | null | 1077.366678 | 0.0 | 187.618607 | -13.42522221 | -13.58844435 | -85.70757917 | -99.20008302 | -94.37555617 | -151.1884003 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.108991108 | null |
5c779f482941d83cc4ed9cfdaf4351fb64d94c9a84ed60baf239557fc0280cdd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,179 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'V', 'pentyl_Gly', 'T', 'meA', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 95 | 2180 | -5.52 | -5.52 | Circle | 1 | -3.58e-16 | -2.757716445 | -2.74e-16 | -2.887156748 | -7.48e-17 | -1.137586989 | 9.42e-16 | -0.249291745 | 3.608712376 | 8193.052414 | 234.0 | null | -5.52 | 174.6988233 | 163.5820392 | 47.58203921 | 92.38250366 | 81.63798918 | 23.99367291 | 16.21643522 | 16.21643522 | 9.544355359 | 9.544355359 | 5.575461421 | 5.575461421 | null | null | null | null | 519.4298782 | 59.14803553 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 100.1258157 | 1384.873396 | 0.636363636 | 1.222222222 | 1.777777778 | 0.671232877 | 225.0 | PEPTIDE2180{[dA].[meF].V.[pentyl_Gly].T.[meA].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2180,PEPTIDE2180,1:R1-11:R2$$$ | PEPTIDE2180{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.0 | 99 | 1268.873 | 2180 | null | null | 3.29e+83 | 16.71428571 | 39.11604938 | 24.99049805 | 750.0060262 | null | 18.23974656 | 0.390716756 | 18.23974656 | 0.247752696 | 2.234299867 | 0.247752696 | -8.203577985 | -0.390716756 | 3.4497 | 376.3703 | 1385.801 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 33 | 0 | 2 | 2 | 552 | pd407 | null | -6.905574542 | 3.569465885 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.1332817 | 108.1576782 | 183.6300406 | 65.37880257 | null | -5.52 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCCN1CC(=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](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(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C1=O | 225.2227689 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 231.036765 | 67.42555848 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'meF', 'V', 'pentyl_Gly', 'T', 'meA', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 0.4292999999999995, 1.3073, -0.1918000000000002, 0.1353999999999999, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.0110847 | 75.01715897 | 17.68187306 | 308.3412658 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2180 | null | 317.13 | null | 1058.129594 | 0.0 | 186.9873002 | -13.08546312 | -13.53961859 | -85.00065816 | -105.7204501 | -80.03419288 | -151.4865117 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.123732892 | null |
336193b230a6f414b44fcef7aa096134a3efa3a17e1724ba56f19d96eeee5104 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,180 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Abu', 'L', 'meL', 'meF', 'Abu', 'meF', 'pentyl_Gly', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 94 | 2181 | -5.74 | -5.74 | Circle | 2 | -2.94e-16 | -2.758124481 | -2.61e-16 | -2.877282955 | -1.76e-16 | -1.13753132 | 1.32e-15 | -0.24929193 | 3.584135457 | 8086.415061 | 194.0 | null | -5.74 | 171.4917165 | 160.6737909 | 46.67379092 | 90.63672175 | 80.25613409 | 23.55903142 | 15.69292826 | 15.69292826 | 9.481570841 | 9.481570841 | 5.580968763 | 5.580968763 | null | null | null | null | 512.877831 | 68.7022619 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 87.7889887 | 1354.862832 | 0.577319588 | 1.134020619 | 1.721649485 | 0.666666667 | 198.0 | PEPTIDE2181{[Me_Abu].L.[meL].[meF].[Abu].[meF].[pentyl_Gly].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2181,PEPTIDE2181,1:R1-11:R2$$$ | PEPTIDE2181{<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/Abu/">[Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/S... | -7.96 | 97 | 1240.863 | 2181 | null | null | 7.51e+81 | 16.25706479 | 39.44244939 | 23.92778002 | 735.8695127 | null | 18.12075632 | 0.390716757 | 18.12075632 | 0.247548407 | 2.281446018 | 0.247548407 | -8.252600501 | -0.390716757 | 3.7785 | 370.2226 | 1355.775 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 35 | 0 | 2 | 2 | 540 | pd408 | null | -6.245147549 | 3.749967748 | 65.54733945 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 134.8370659 | 93.01699227 | 190.6058675 | 58.34486764 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCCN1CC(=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](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](CC)C(=O)N(C)[C@@H](Cc2ccccc2)C1=O | 217.7033053 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 217.98092 | 74.33925982 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Me_Abu', 'L', 'meL', 'meF', 'Abu', 'meF', 'pentyl_Gly', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.5255000000000001, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.1833, 1.3581999999999996, 1.3073, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 70.28029601 | 17.68187306 | 305.5336056 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2181 | null | 299.11 | null | 1035.886197 | 0.0 | 183.3789602 | -9.711951249 | -6.880454855 | -84.24927051 | -97.87297317 | -101.4580226 | -137.592485 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.133045378 | null |
18885d6b93475510c52e334ac554c465cad88390023577cf05eafc0dfb98b235 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,182 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'L', 'Me_Abu', 'meF', 'A', 'meL', 'Me_Abu', 'T', 'PhEt_Gly', 'meL', 'Asp_piperidide'] | 93 | 2183 | -5.22 | -5.22 | Circle | 4 | -2.93e-16 | -2.758524292 | -2.43e-16 | -2.883296736 | -9.34e-17 | -1.135223708 | 8.12e-16 | -0.249287763 | 3.602725904 | 8067.395511 | 218.0 | null | -5.22 | 171.4917165 | 160.6737909 | 46.67379092 | 90.63672175 | 80.25613409 | 23.55903142 | 15.92973166 | 15.92973166 | 9.693708675 | 9.693708675 | 5.675310303 | 5.675310303 | null | null | null | null | 512.877831 | 53.62391778 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 102.8673328 | 1354.862832 | 0.587628866 | 1.144329897 | 1.731958763 | 0.666666667 | 219.0 | PEPTIDE2183{[meV].L.[Me_Abu].[meF].A.[meL].[Me_Abu].T.[PhEt_Gly].[meL].[Asp_piperidide]}$PEPTIDE2183,PEPTIDE2183,1:R1-11:R2$$$ | PEPTIDE2183{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/PhEt_Gly/">[PhE... | -7.96 | 97 | 1240.863 | 2183 | null | null | 5.28e+80 | 16.25706479 | 38.25663499 | 22.80877018 | 735.8695127 | null | 17.71218143 | 0.390716754 | 17.71218143 | 0.247817811 | 2.119990258 | 0.247817811 | -8.101634451 | -0.390716754 | 3.6328 | 370.1306 | 1355.775 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 35 | 0 | 2 | 2 | 540 | pd410 | null | -6.175417413 | 3.253641263 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 105.7628421 | 185.6037012 | 50.4772494 | null | -5.22 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(CCc2ccccc2)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](CC(C)C)C(=O)N1C | 217.7033053 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 218.583822 | 67.84240014 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meV', 'L', 'Me_Abu', 'meF', 'A', 'meL', 'Me_Abu', 'T', 'PhEt_Gly', 'meL', 'Asp_piperidide'] | [0.7715000000000001, 0.8193999999999995, 0.5255000000000001, 1.3581999999999996, -0.2068000000000003, 1.1616, 0.5255000000000001, -0.1918000000000002, 1.3598, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 250.7267853 | 70.28029601 | 23.57583074 | 300.1186151 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2183 | null | 299.11 | null | 1037.890535 | 0.0 | 184.0428441 | -9.826256555 | -6.441429034 | -92.2148184 | -104.3862101 | -82.18252762 | -145.3821371 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.160690128 | null |
5f2077a0050d98210248f813d2fe01f62459b524746c31319103c83b86c4b6b5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,183 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meL', 'I', 'Me_Abu', 'T', 'PhEt_Gly', 'meF', 'Me_Abu', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 100 | 2184 | -5.48 | -5.48 | Circle | 4 | -2.86e-16 | -2.75789637 | -2.36e-16 | -2.887646815 | -1.01e-16 | -1.135231698 | 1.15e-15 | -0.249287763 | 3.614025232 | 8205.052414 | 208.0 | null | -5.48 | 174.6988233 | 163.5820392 | 47.58203921 | 92.34382853 | 81.66438238 | 23.96727971 | 16.20323862 | 16.20323862 | 9.657369569 | 9.657369569 | 5.56347694 | 5.56347694 | null | null | null | null | 519.6228766 | 57.73619345 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 101.4965743 | 1384.873396 | 0.626262626 | 1.181818182 | 1.747474747 | 0.671232877 | 204.0 | PEPTIDE2184{[Sar].[meL].I.[Me_Abu].T.[PhEt_Gly].[meF].[Me_Abu].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2184,PEPTIDE2184,1:R1-11:R2$$$ | PEPTIDE2184{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/PhEt_Gly/">[PhEt_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers... | -8.0 | 99 | 1268.873 | 2184 | null | null | 3.4199999999999997e+83 | 16.71428571 | 39.11604938 | 24.40250692 | 750.1579411 | null | 17.93732578 | 0.390716754 | 17.93732578 | 0.247817811 | 2.109067286 | 0.247817811 | -8.215303504 | -0.390716754 | 3.4034 | 376.4026 | 1385.801 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 552 | pd411 | null | -6.608969814 | 3.764072445 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.6122489 | 107.1997437 | 184.2329426 | 73.24642081 | null | -5.48 | null | null | null | null | null | null | null | null | null | 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](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(CCc2ccccc2)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC)N(C)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 218.1669804 | 80.89824507 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meL', 'I', 'Me_Abu', 'T', 'PhEt_Gly', 'meF', 'Me_Abu', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.1616, 0.8193999999999999, 0.5255000000000001, -0.1918000000000002, 1.3598, 1.3581999999999996, 0.5255000000000001, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3657886 | 75.01715897 | 17.68187306 | 302.8601322 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2184 | null | 308.34 | null | 1058.574066 | 0.0 | 184.1041976 | -10.07243224 | -13.11093944 | -85.55691626 | -97.39391068 | -81.41095151 | -158.8831139 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.151748531 | null |
c1f19d48a39ef41f23dd2d4a67526e060f2b753c7b2554105dea675cbb6fad41 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,184 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['PhEt_Gly', 'meL', 'L', 'Me_Abu', 'T', 'Sar', 'meF', 'Me_Abu', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 100 | 2185 | -5.82 | -5.82 | Circle | 7 | -3.26e-16 | -2.758127365 | -2.53e-16 | -2.884361121 | -9.2e-17 | -1.135687322 | 9.53e-16 | -0.249287767 | 3.627356602 | 8189.052414 | 224.0 | null | -5.82 | 174.6988233 | 163.5820392 | 47.58203921 | 92.34382853 | 81.66438238 | 23.96727971 | 16.20323862 | 16.20323862 | 9.53896787 | 9.53896787 | 5.541260572 | 5.541260572 | null | null | null | null | 519.6228766 | 65.96074478 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1384.873396 | 0.606060606 | 1.121212121 | 1.686868687 | 0.671232877 | 226.0 | PEPTIDE2185{[PhEt_Gly].[meL].L.[Me_Abu].T.[Sar].[meF].[Me_Abu].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2185,PEPTIDE2185,1:R1-11:R2$$$ | PEPTIDE2185{<a href="/monomers/PhEt_Gly/">[PhEt_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers... | -8.0 | 99 | 1268.873 | 2185 | null | null | 2.18e+82 | 16.71428571 | 39.11604938 | 24.99049805 | 750.1579411 | null | 17.94568517 | 0.390716756 | 17.94568517 | 0.247548563 | 2.168952525 | 0.247548563 | -8.309679694 | -0.390716756 | 3.4034 | 376.4026 | 1385.801 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 552 | pd412 | null | -6.731799599 | 3.76551017 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 113.5726686 | 184.2329426 | 73.24642081 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC)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(CCc2ccccc2)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1C | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 218.1669804 | 80.89824507 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['PhEt_Gly', 'meL', 'L', 'Me_Abu', 'T', 'Sar', 'meF', 'Me_Abu', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [1.3598, 1.1616, 0.8193999999999995, 0.5255000000000001, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 0.5255000000000001, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3657886 | 75.01715897 | 17.68187306 | 302.8601322 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2185 | null | 308.34 | null | 1058.491728 | 0.0 | 184.121027 | -10.12228695 | -13.12070532 | -85.02843659 | -97.15529023 | -82.43603422 | -158.5000021 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.151748531 | null |
a199457a302f6818fbd21249ed4c473cb21a6f97ad2e36ea8cd0e6122574cbbe | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,185 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meL', 'I', 'Me_Abu', 'T', 'Sar', 'PhEt_Gly', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 96 | 2186 | -5.82 | -5.82 | Circle | 9 | -3.16e-16 | -2.758156206 | -2.55e-16 | -2.88834764 | -1.13e-16 | -1.135803371 | 8.49e-16 | -0.249287767 | 3.643615604 | 8316.38209 | 213.0 | null | -5.82 | 177.1988233 | 166.0820392 | 48.08203921 | 93.63250366 | 82.88798918 | 24.24367291 | 16.35463183 | 16.35463183 | 9.569020924 | 9.569020924 | 5.606106016 | 5.606106016 | null | null | null | null | 525.8028031 | 64.63106975 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 97.38429859 | 1398.889046 | 0.63 | 1.2 | 1.78 | 0.675675676 | 210.0 | PEPTIDE2186{[dL].[meL].I.[Me_Abu].T.[Sar].[PhEt_Gly].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2186,PEPTIDE2186,1:R1-11:R2$$$ | PEPTIDE2186{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/PhEt_Gly/">[PhEt_Gly]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monome... | -8.0 | 100 | 1280.884 | 2186 | null | null | 5.48e+84 | 16.7923472 | 39.85185986 | 25.56169099 | 759.1809093 | null | 18.26285451 | 0.390716756 | 18.26285451 | 0.247548564 | 2.068159225 | 0.247548564 | -8.2801495 | -0.390716756 | 3.6973 | 380.9393 | 1399.828 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 34 | 0 | 2 | 2 | 558 | pd413 | null | -7.215653228 | 3.690823496 | 70.69410603 | 54.16103222 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.464141 | 113.0937014 | 178.6278743 | 73.24642081 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)CN(CCc2ccccc2)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC)N(C)C1=O | 227.964286 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 225.0188725 | 73.92241817 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meL', 'I', 'Me_Abu', 'T', 'Sar', 'PhEt_Gly', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 1.1616, 0.8193999999999999, 0.5255000000000001, -0.1918000000000002, -0.2531000000000001, 1.3598, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 75.01715897 | 23.57583074 | 311.0827829 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2186 | null | 317.13 | null | 1078.444392 | 0.0 | 187.6362506 | -13.59468915 | -13.06380724 | -93.12187262 | -98.14954703 | -82.4850857 | -158.165641 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.124088288 | null |
84d40f29b6272a61a4e154ae696e44ad3b06747a49f4c0c774d62ad288b78f73 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,186 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meL', 'I', 'PhEt_Gly', 'T', 'Me_Abu', 'meL', 'Ser(tBu)', 'meF', 'Me_Abu', 'Asp_piperidide'] | 99 | 2187 | -5.8 | -5.8 | Circle | 9 | -2.59e-16 | -2.757005708 | -2.43e-16 | -2.888330609 | -7.27e-17 | -1.13524427 | 8.69e-16 | -0.249287763 | 3.610584237 | 8209.052414 | 211.0 | null | -5.8 | 174.6988233 | 163.5820392 | 47.58203921 | 92.38250366 | 81.63798918 | 23.99367291 | 16.21643522 | 16.21643522 | 9.662757059 | 9.662757059 | 5.622329489 | 5.622329489 | null | null | null | null | 519.4298782 | 57.77727697 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 101.4965743 | 1384.873396 | 0.636363636 | 1.212121212 | 1.787878788 | 0.671232877 | 214.0 | PEPTIDE2187{[dA].[meL].I.[PhEt_Gly].T.[Me_Abu].[meL].[Ser(tBu)].[meF].[Me_Abu].[Asp_piperidide]}$PEPTIDE2187,PEPTIDE2187,1:R1-11:R2$$$ | PEPTIDE2187{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/PhEt_Gly/">[PhEt_Gly]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monome... | -8.0 | 99 | 1268.873 | 2187 | null | null | 4.57e+82 | 16.71428571 | 39.11604938 | 24.40250692 | 750.0060262 | null | 18.01847418 | 0.390716756 | 18.01847418 | 0.247762424 | 2.122559726 | 0.247762424 | -8.210397464 | -0.390716756 | 3.4497 | 376.3703 | 1385.801 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 33 | 0 | 2 | 2 | 552 | pd414 | null | -6.827155138 | 3.543281894 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.6122489 | 114.0516358 | 177.2571157 | 65.37880257 | null | -5.8 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)CN(CCc2ccccc2)C1=O | 225.2227689 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 231.036765 | 67.42555848 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'meL', 'I', 'PhEt_Gly', 'T', 'Me_Abu', 'meL', 'Ser(tBu)', 'meF', 'Me_Abu', 'Asp_piperidide'] | [-0.2068000000000003, 1.1616, 0.8193999999999999, 1.3598, -0.1918000000000002, 0.5255000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.5255000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.0110847 | 75.01715897 | 17.68187306 | 308.3412658 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2187 | null | 317.13 | null | 1059.372663 | 0.0 | 187.0651185 | -13.20868699 | -13.22931046 | -85.52910471 | -105.2816438 | -81.3009853 | -151.6380503 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.13226952 | null |
988b107c5ae2a5876cf26954d270a3c5ac07d77b8db97bc8c26deae4a5feeb63 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,187 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Abu', 'L', 'meL', 'meF', 'Abu', 'meL', 'PhEt_Gly', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 92 | 2188 | -5.48 | -5.48 | Circle | 1 | -3.23e-16 | -2.758124806 | -2.76e-16 | -2.877769302 | -1.53e-16 | -1.13578293 | 6.07e-16 | -0.249287767 | 3.587328867 | 8068.905286 | 210.0 | null | -5.48 | 171.4917165 | 160.6737909 | 46.67379092 | 90.63672175 | 80.25613409 | 23.55903142 | 15.81792826 | 15.81792826 | 9.481570841 | 9.481570841 | 5.577669613 | 5.577669613 | null | null | null | null | 512.877831 | 65.96074478 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 90.53050581 | 1354.862832 | 0.567010309 | 1.092783505 | 1.659793814 | 0.666666667 | 211.0 | PEPTIDE2188{[Me_Abu].L.[meL].[meF].[Abu].[meL].[PhEt_Gly].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2188,PEPTIDE2188,1:R1-11:R2$$$ | PEPTIDE2188{<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/Abu/">[Abu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/PhEt_Gly/">[PhEt_Gly]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/"... | -7.96 | 97 | 1240.863 | 2188 | null | null | 1.71e+81 | 16.25706479 | 38.84275538 | 23.92778002 | 735.8695127 | null | 18.1120855 | 0.390716757 | 18.1120855 | 0.247548407 | 2.099857711 | 0.247548407 | -8.268204091 | -0.390716757 | 3.6344 | 370.1526 | 1355.775 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 35 | 0 | 2 | 2 | 540 | pd415 | null | -6.346414857 | 3.545006162 | 65.54733945 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 105.2838749 | 184.2329426 | 58.34486764 | null | -5.48 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)CN(CCc2ccccc2)C(=O)[C@H](CC(C)C)N(C)C1=O | 217.7033053 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 212.0869623 | 74.33925982 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Me_Abu', 'L', 'meL', 'meF', 'Abu', 'meL', 'PhEt_Gly', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.5255000000000001, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.1833, 1.1616, 1.3598, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 70.28029601 | 23.57583074 | 299.6396479 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2188 | null | 299.11 | null | 1037.058313 | 0.0 | 183.2792817 | -9.749101853 | -6.538475193 | -91.40021483 | -97.16641712 | -89.37324444 | -144.610141 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.151425688 | null |
d27ef1cdb3ebf329a19e3d6921d6ed75cb7bea4e59a5a26eeeb8f667444d0dd6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,188 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'Me_Abu', 'T', 'EtOEt_Gly', 'meL', 'Ser(tBu)', 'meF', 'Me_Abu', 'Asp_piperidide'] | 100 | 2189 | -5.51 | -5.51 | Circle | 4 | -3.22e-16 | -2.757261258 | -2.59e-16 | -2.888847621 | -6e-17 | -1.135082319 | 8.46e-16 | -0.249287763 | 3.687231641 | 8464.577051 | 226.0 | null | -5.51 | 180.40593 | 168.9902875 | 48.9902875 | 95.33961044 | 84.29623747 | 24.6519212 | 16.52262144 | 16.52262144 | 9.754560979 | 9.754560979 | 5.754158627 | 5.754158627 | null | null | null | null | 532.5478487 | 68.74334542 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 96.01354003 | 1428.899611 | 0.607843137 | 1.117647059 | 1.666666667 | 0.68 | 221.0 | PEPTIDE2189{[dL].[meF].L.[Me_Abu].T.[EtOEt_Gly].[meL].[Ser(tBu)].[meF].[Me_Abu].[Asp_piperidide]}$PEPTIDE2189,PEPTIDE2189,1:R1-11:R2$$$ | PEPTIDE2189{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/EtOEt_Gly/">[EtOEt_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/mono... | -8.04 | 102 | 1308.894 | 2189 | null | null | 2.91e+87 | 17.24947549 | 41.30357743 | 26.03219853 | 773.4693377 | null | 18.09869201 | 0.390716754 | 18.09869201 | 0.247887465 | 2.322367734 | 0.247887465 | -8.197842219 | -0.390716754 | 3.4663 | 387.1893 | 1429.854 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 36 | 0 | 2 | 2 | 570 | pd416 | null | -7.855018885 | 3.606733818 | 75.43096898 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 114.0516358 | 187.4475088 | 80.16233915 | null | -5.51 | null | null | null | null | null | null | null | null | null | null | 4 | CCOCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[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(=O)N[C@@H]([C@@H](C)O)C1=O | 235.4426661 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 231.036765 | 80.54352897 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'L', 'Me_Abu', 'T', 'EtOEt_Gly', 'meL', 'Ser(tBu)', 'meF', 'Me_Abu', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 0.5255000000000001, -0.1918000000000002, 0.1535999999999999, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.5255000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 29.54, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 264.1290552 | 79.75402192 | 17.68187306 | 313.8243 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2189 | null | 326.36 | null | 1101.335949 | 0.0 | 188.8839809 | -13.64828968 | -13.69128145 | -85.93520747 | -107.6293613 | -83.35227299 | -163.7135167 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.103457429 | null |
73e3a08836cd148b64f52e2d8ad0e9fb84a37f6569eb14d2120aeb69fc73e373 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,189 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'L', 'Me_Abu', 'meF', 'L', 'meF', 'Me_Abu', 'T', 'EtOEt_Gly', 'meL', 'Asp_piperidide'] | 94 | 2190 | -5.0 | -5 | Circle | 7 | -3.32e-16 | -2.758521591 | -3.52e-16 | -2.885745426 | -8.16e-17 | -1.135077386 | 1.1e-15 | -0.249287763 | 3.682379353 | 8338.42119 | 222.0 | null | -5.0 | 177.1988233 | 166.0820392 | 48.08203921 | 93.59382853 | 82.91438238 | 24.21727971 | 16.23591788 | 16.23591788 | 9.903914294 | 9.903914294 | 5.857306659 | 5.857306659 | null | null | null | null | 525.9958015 | 61.84846912 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 100.1258157 | 1398.889046 | 0.58 | 1.1 | 1.65 | 0.675675676 | 215.0 | PEPTIDE2190{[meV].L.[Me_Abu].[meF].L.[meF].[Me_Abu].T.[EtOEt_Gly].[meL].[Asp_piperidide]}$PEPTIDE2190,PEPTIDE2190,1:R1-11:R2$$$ | PEPTIDE2190{<a href="/monomers/meV/">[meV]</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/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/EtOEt_Gly/">[Et... | -8.0 | 100 | 1280.884 | 2190 | null | null | 9.16e+84 | 16.7923472 | 40.44444444 | 23.81937251 | 759.3328242 | null | 18.06316965 | 0.390716754 | 18.06316965 | 0.247887465 | 2.319553979 | 0.247887465 | -8.144490148 | -0.390716754 | 3.6494 | 380.9496 | 1399.828 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 38 | 0 | 2 | 2 | 558 | pd417 | null | -7.25013149 | 3.353634791 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 99.38991717 | 195.7940942 | 65.26078598 | null | -5.0 | null | null | null | null | null | null | null | null | null | null | 4 | CCOCCN1CC(=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](CC(C)C)C(=O)N(C)[C@@H](CC)C(=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](CC)C(=O)N[C@@H]([C@@H](C)O)C1=O | 227.9232025 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 218.583822 | 80.96037062 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meV', 'L', 'Me_Abu', 'meF', 'L', 'meF', 'Me_Abu', 'T', 'EtOEt_Gly', 'meL', 'Asp_piperidide'] | [0.7715000000000001, 0.8193999999999995, 0.5255000000000001, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 0.5255000000000001, -0.1918000000000002, 0.1535999999999999, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 29.54, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.8447558 | 75.01715897 | 23.57583074 | 305.6016494 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2190 | null | 308.34 | null | 1081.369412 | 0.0 | 185.8060191 | -10.22905667 | -6.960561785 | -93.50564624 | -107.4344926 | -83.58545127 | -157.9602227 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.1255546 | null |
9de432977479d4bc36f6c4dc3ef828baae9bbfa2cd577ed60d8f402081779b79 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,190 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'V', 'meL', 'T', 'EtOEt_Gly', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 95 | 2191 | -5.82 | -5.82 | Circle | 1 | -2.89e-16 | -2.757877896 | -2.82e-16 | -2.890568717 | -6.63e-17 | -1.135236479 | 8.43e-16 | -0.249287763 | 3.694450368 | 8443.067276 | 220.0 | null | -5.82 | 180.40593 | 168.9902875 | 48.9902875 | 95.30093531 | 84.32263067 | 24.625528 | 16.63442484 | 16.63442484 | 9.749173489 | 9.749173489 | 5.723256928 | 5.723256928 | null | null | null | null | 532.7408471 | 64.58998623 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 100.1258157 | 1428.899611 | 0.607843137 | 1.12745098 | 1.656862745 | 0.68 | 224.0 | PEPTIDE2191{[Sar].[meF].V.[meL].T.[EtOEt_Gly].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2191,PEPTIDE2191,1:R1-11:R2$$$ | PEPTIDE2191{<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/T/">T</a>.<a href="/monomers/EtOEt_Gly/">[EtOEt_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/... | -8.04 | 102 | 1308.894 | 2191 | null | null | 3.06e+86 | 17.24947549 | 40.71124927 | 26.03219853 | 773.6212525 | null | 18.22602111 | 0.390716754 | 18.22602111 | 0.247887465 | 2.258602392 | 0.247887465 | -8.346064216 | -0.390716754 | 3.2759 | 387.1516 | 1429.854 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 36 | 0 | 2 | 2 | 570 | pd418 | null | -7.801596031 | 3.653716831 | 75.02106536 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 107.1997437 | 194.4233357 | 88.02995739 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 4 | CCOCCN1CC(=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]([C@@H](C)O)C1=O | 235.4015826 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 212.2730227 | 94.01621555 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'V', 'meL', 'T', 'EtOEt_Gly', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.4292999999999995, 1.1616, -0.1918000000000002, 0.1535999999999999, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 29.54, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 276.4837591 | 79.75402192 | 23.57583074 | 302.4492088 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2191 | null | 317.57 | null | 1102.281526 | 0.0 | 185.6305464 | -10.33149265 | -13.6440595 | -93.52231606 | -99.93816864 | -69.26067458 | -178.965361 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.12612669 | null |
dc33414ee8d68bcaad23d1150473478d545cedc4b9f7dace7465f62c26603037 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,191 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Abu', 'L', 'meL', 'meF', 'Abu', 'meF', 'EtOEt_Gly', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide'] | 96 | 2192 | -5.64 | -5.64 | Circle | 7 | -2.83e-16 | -2.758181199 | -2.55e-16 | -2.880128747 | -3.93e-17 | -1.135780815 | 7.31e-16 | -0.249291268 | 3.656024608 | 8357.44074 | 226.0 | null | -5.64 | 177.1988233 | 166.0820392 | 48.08203921 | 93.59382853 | 82.91438238 | 24.21727971 | 15.98591788 | 15.98591788 | 9.678579859 | 9.678579859 | 5.722423074 | 5.722423074 | null | null | null | null | 525.9958015 | 68.7022619 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1398.889046 | 0.59 | 1.15 | 1.75 | 0.675675676 | 204.0 | PEPTIDE2192{[Me_Abu].L.[meL].[meF].[Abu].[meF].[EtOEt_Gly].T.[Bu_Gly].[meL].[Asp_piperidide]}$PEPTIDE2192,PEPTIDE2192,1:R1-11:R2$$$ | PEPTIDE2192{<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/Abu/">[Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/EtOEt_Gly/">[EtOEt_Gly]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_... | -8.0 | 100 | 1280.884 | 2192 | null | null | 5.4400000000000004e+85 | 16.7923472 | 41.66996438 | 24.9602605 | 759.3328242 | null | 18.15810195 | 0.390716756 | 18.15810195 | 0.247806849 | 2.307713578 | 0.247806849 | -8.277697837 | -0.390716756 | 3.7951 | 381.0416 | 1399.828 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 38 | 0 | 2 | 2 | 558 | pd419 | null | -7.023030136 | 3.634934595 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.464141 | 99.86888439 | 193.9443684 | 73.12840422 | null | -5.64 | null | null | null | null | null | null | null | null | null | 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](CC)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(CCOCC)CC(=O)N[C@@H]([C@@H](C)O)C1=O | 227.9232025 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 218.4598872 | 86.97826309 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Me_Abu', 'L', 'meL', 'meF', 'Abu', 'meF', 'EtOEt_Gly', 'T', 'Bu_Gly', 'meL', 'Asp_piperidide'] | [0.5255000000000001, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.1833, 1.3581999999999996, 0.1535999999999999, -0.1918000000000002, 0.9172, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.54, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.8447558 | 75.01715897 | 17.68187306 | 311.495607 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2192 | null | 308.34 | null | 1078.644359 | 0.0 | 184.8557844 | -10.00609515 | -6.931765905 | -85.71750393 | -99.0315602 | -96.29557437 | -158.0176442 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.111188723 | null |
ea57837dbf351b72c673dd84d54faad0bf6d815ff5a9ebfcebf3d913f78b9181 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,192 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'L', 'Me_Abu', 'meF', 'A', 'meL', 'Me_Abu', 'T', 'Mono39', 'meL', 'Asp_piperidide'] | 91 | 2193 | -5.35 | -5.35 | Circle | 4 | -2.58e-16 | -2.758515359 | -2.51e-16 | -2.884806109 | -1.08e-16 | -1.135223693 | 1.09e-15 | -0.249287763 | 3.591962579 | 8091.973029 | 216.0 | null | -5.35 | 172.1988233 | 161.0820392 | 47.08203921 | 91.10984829 | 80.41438238 | 23.71727971 | 15.96297995 | 15.96297995 | 9.688605704 | 9.688605704 | 5.660065333 | 5.660065333 | null | null | null | null | 513.2499517 | 53.62391778 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 102.8673328 | 1370.857746 | 0.612244898 | 1.183673469 | 1.785714286 | 0.666666667 | 204.0 | PEPTIDE2193{[meV].L.[Me_Abu].[meF].A.[meL].[Me_Abu].T.[Mono39].[meL].[Asp_piperidide]}$PEPTIDE2193,PEPTIDE2193,1:R1-11:R2$$$ | PEPTIDE2193{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Mono39/">[Mono3... | -8.16 | 98 | 1256.862 | 2193 | null | null | 1.91e+81 | 16.57363556 | 38.84503081 | 22.96423563 | 740.983058 | null | 17.66478812 | 0.491752534 | 17.66478812 | 0.247926521 | 1.931304167 | 0.247926521 | -8.104704312 | -0.491752534 | 3.4691 | 371.9216 | 1371.774 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 36 | 0 | 2 | 2 | 546 | pd420 | null | -6.688723101 | 2.961911359 | 70.2842024 | 72.48742176 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 116.8582708 | 105.9113031 | 173.6238073 | 62.45714331 | null | -5.35 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(CCOc2ccccc2)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](CC(C)C)C(=O)N1C | 222.4401683 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 212.2108971 | 74.40138538 | 65.98763857 | 0 | 5.749511833 | null | null | null | null | ['meV', 'L', 'Me_Abu', 'meF', 'A', 'meL', 'Me_Abu', 'T', 'Mono39', 'meL', 'Asp_piperidide'] | [0.7715000000000001, 0.8193999999999995, 0.5255000000000001, 1.3581999999999996, -0.2068000000000003, 1.1616, 0.5255000000000001, -0.1918000000000002, 1.1960999999999995, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 29.540000000000003, 20.31, 49.41] | 25.97611637 | 0.0 | 5.749511833 | 0.0 | 257.2857705 | 63.90737111 | 23.57583074 | 294.5551636 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2193 | null | 308.34 | null | 1040.365454 | 0.0 | 183.8362097 | -9.85592748 | -3.348182319 | -95.01898281 | -103.1408366 | -75.84404508 | -151.9936898 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.15161365 | null |
ec28e8608540c1ecdd2704548b6472a67bc0ed2f073b6f86226d37fdc6cea42c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,193 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono39', 'meL', 'L', 'Me_Abu', 'T', 'Sar', 'meF', 'Me_Abu', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 98 | 2194 | -5.89 | -5.89 | Circle | 2 | -2.82e-16 | -2.758055773 | -2.65e-16 | -2.88471428 | -1.11e-16 | -1.135687312 | 1.15e-15 | -0.249287767 | 3.617751754 | 8213.596937 | 219.0 | null | -5.89 | 175.40593 | 163.9902875 | 47.9902875 | 92.81695507 | 81.82263067 | 24.125528 | 16.23648691 | 16.23648691 | 9.533864898 | 9.533864898 | 5.526015601 | 5.526015601 | null | null | null | null | 519.9949973 | 65.96074478 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 93.27202292 | 1400.868311 | 0.62 | 1.15 | 1.73 | 0.671232877 | 218.0 | PEPTIDE2194{[Mono39].[meL].L.[Me_Abu].T.[Sar].[meF].[Me_Abu].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2194,PEPTIDE2194,1:R1-11:R2$$$ | PEPTIDE2194{<a href="/monomers/Mono39/">[Mono39]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/Ser... | -8.2 | 100 | 1284.872 | 2194 | null | null | 1.88e+83 | 17.03229479 | 39.70443149 | 25.14886301 | 755.2714863 | null | 17.94222941 | 0.491752546 | 17.94222941 | 0.247548563 | 1.975218704 | 0.247548563 | -8.312876821 | -0.491752546 | 3.2397 | 378.1936 | 1401.8 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 34 | 0 | 2 | 2 | 558 | pd421 | null | -7.259345112 | 3.486322089 | 75.02106536 | 66.46952929 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 103.1544866 | 113.7211296 | 172.2530487 | 85.22631472 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC)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(CCOc2ccccc2)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1C | 229.9185484 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 211.7940555 | 87.45723031 | 65.98763857 | 0 | 5.749511833 | null | null | null | null | ['Mono39', 'meL', 'L', 'Me_Abu', 'T', 'Sar', 'meF', 'Me_Abu', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [1.1960999999999995, 1.1616, 0.8193999999999995, 0.5255000000000001, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 0.5255000000000001, 0.5883999999999996, 1.1616, 0.1758999999999995] | [29.540000000000003, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 25.97611637 | 0.0 | 5.749511833 | 0.0 | 269.9247738 | 68.64423406 | 17.68187306 | 297.2966807 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2194 | null | 317.57 | null | 1060.932494 | 0.0 | 183.9055594 | -10.13912372 | -9.96111823 | -87.8931856 | -95.87740384 | -76.00564317 | -165.2115793 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.143116533 | null |
fc13a9dcdb55384d21e3d1db4c06bd072d971218380b7f3ac98e2481f6b94df0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,194 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'Me_Abu', 'T', 'Bu_Gly', 'meA', 'Ser(tBu)', 'meL', 'Mono39', 'Asp_piperidide'] | 97 | 2195 | -6.0 | -6 | Circle | 7 | -2.78e-16 | -2.756797619 | -2.45e-16 | -2.885417506 | -9.26e-17 | -1.135087268 | 9.43e-16 | -0.249291277 | 3.616041542 | 8342.492781 | 230.0 | null | -6.0 | 177.90593 | 166.4902875 | 48.4902875 | 94.10563021 | 83.04623747 | 24.4019212 | 16.24968352 | 16.24968352 | 9.432319652 | 9.432319652 | 5.503450933 | 5.503450933 | null | null | null | null | 526.1749238 | 66.00182831 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 96.01354003 | 1414.883961 | 0.653465347 | 1.247524752 | 1.851485149 | 0.675675676 | 224.0 | PEPTIDE2195{[dL].[meF].L.[Me_Abu].T.[Bu_Gly].[meA].[Ser(tBu)].[meL].[Mono39].[Asp_piperidide]}$PEPTIDE2195,PEPTIDE2195,1:R1-11:R2$$$ | PEPTIDE2195{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/m... | -8.2 | 101 | 1296.883 | 2195 | null | null | 1.21e+85 | 17.10873647 | 41.04070744 | 26.92937674 | 764.2944546 | null | 18.14929703 | 0.491752534 | 18.14929703 | 0.247807006 | 1.981832932 | 0.247807006 | -8.307419559 | -0.491752534 | 3.6777 | 382.8003 | 1415.827 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 35 | 0 | 2 | 2 | 564 | pd422 | null | -7.539155237 | 3.427029794 | 75.43096898 | 66.46952929 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 109.5274115 | 120.5730218 | 166.1690132 | 85.22631472 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(CCOc2ccccc2)CC(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[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(=O)N[C@@H]([C@@H](C)O)C1=O | 232.701149 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 225.0188725 | 80.00243619 | 65.98763857 | 0 | 5.749511833 | null | null | null | null | ['dL', 'meF', 'L', 'Me_Abu', 'T', 'Bu_Gly', 'meA', 'Ser(tBu)', 'meL', 'Mono39', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 0.5255000000000001, -0.1918000000000002, 0.9172, 0.1353999999999999, 0.5883999999999996, 1.1616, 1.1960999999999995, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 29.540000000000003, 49.41] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 257.57007 | 68.64423406 | 17.68187306 | 311.8922563 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2195 | null | 326.36 | null | 1078.696622 | 0.0 | 186.8389673 | -13.35423099 | -10.04478385 | -87.92382237 | -96.22701852 | -81.61293599 | -165.3727978 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.110177067 | null |
f6e346bba0cccb1fb9c29bf62bc4f22f5df1fb50d1c19dd23092e90f938215b9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,195 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meL', 'I', 'Mono39', 'T', 'Me_Abu', 'meL', 'Ser(tBu)', 'meF', 'Me_Abu', 'Asp_piperidide'] | 97 | 2196 | -6.0 | -6 | Circle | 6 | -2.62e-16 | -2.757005263 | -2.48e-16 | -2.889481907 | -6.37e-17 | -1.135244263 | 1.1e-15 | -0.249287763 | 3.599911332 | 8233.596937 | 232.0 | null | -6.0 | 175.40593 | 163.9902875 | 47.9902875 | 92.85563021 | 81.79623747 | 24.1519212 | 16.24968352 | 16.24968352 | 9.657654087 | 9.657654087 | 5.607084518 | 5.607084518 | null | null | null | null | 519.8019989 | 57.77727697 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 101.4965743 | 1400.868311 | 0.65 | 1.24 | 1.83 | 0.671232877 | 239.0 | PEPTIDE2196{[dA].[meL].I.[Mono39].T.[Me_Abu].[meL].[Ser(tBu)].[meF].[Me_Abu].[Asp_piperidide]}$PEPTIDE2196,PEPTIDE2196,1:R1-11:R2$$$ | PEPTIDE2196{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Mono39/">[Mono39]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/m... | -8.2 | 100 | 1284.872 | 2196 | null | null | 3.7299999999999995e+83 | 17.03229479 | 39.70443149 | 24.55991709 | 755.1195715 | null | 18.01934621 | 0.491752534 | 18.01934621 | 0.247762424 | 1.933665264 | 0.247762424 | -8.213292126 | -0.491752534 | 3.286 | 378.1613 | 1401.8 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 34 | 0 | 2 | 2 | 558 | pd423 | null | -7.364528412 | 3.263818821 | 75.43096898 | 72.48742176 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 109.5274115 | 114.2000969 | 165.2772218 | 77.35869648 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)CN(CCOc2ccccc2)C1=O | 229.9596319 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 224.6638401 | 73.98454372 | 65.98763857 | 0 | 5.749511833 | null | null | null | null | ['dA', 'meL', 'I', 'Mono39', 'T', 'Me_Abu', 'meL', 'Ser(tBu)', 'meF', 'Me_Abu', 'Asp_piperidide'] | [-0.2068000000000003, 1.1616, 0.8193999999999999, 1.1960999999999995, -0.1918000000000002, 0.5255000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.5255000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 29.540000000000003, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 257.57007 | 68.64423406 | 17.68187306 | 302.7778143 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2196 | null | 326.36 | null | 1061.83406 | 0.0 | 186.8683238 | -13.23920476 | -10.13353575 | -88.33397411 | -104.0333802 | -74.95524897 | -158.2570405 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.124777947 | null |
e7f1e119e2ffae5c9ed4eeebc33ea193f99de72f72764823efcf22a871e3e81b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,197 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Mono54', 'meL', 'Me_Phe(3-Cl)', 'L', 'meF', 'meI', 'T', 'Pr_Gly', 'meL', 'Asp_piperidide'] | 99 | 2198 | -5.92 | -5.92 | Circle | 7 | -2.97e-16 | -2.757961907 | -2.37e-16 | -2.889971401 | -7.73e-17 | -1.135211316 | 9.77e-16 | -0.249287763 | 3.722224211 | 8514.959708 | 259.0 | null | -5.92 | 180.40593 | 168.368252 | 50.12418092 | 95.4044887 | 83.96573705 | 25.23835056 | 16.75402426 | 17.13198873 | 10.08623245 | 10.27521469 | 5.945189965 | 6.086926642 | null | null | null | null | 531.0560341 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 102.1918868 | 1462.860639 | 0.640776699 | 1.27184466 | 1.902912621 | 0.68 | 248.0 | PEPTIDE2198{[meA].[Mono54].[meL].[Me_Phe(3-Cl)].L.[meF].[meI].T.[Pr_Gly].[meL].[Asp_piperidide]}$PEPTIDE2198,PEPTIDE2198,1:R1-11:R2$$$ | PEPTIDE2198{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono54/">[Mono54]</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 | 2198 | null | null | 6.420000000000001e+86 | 17.92702119 | 41.66518361 | 25.52945954 | 782.286907 | null | 18.37745993 | 0.391019005 | 18.37745993 | 0.247806845 | 2.27728483 | 0.247806845 | -8.300306881 | -0.391019005 | 3.6637 | 391.9664 | 1464.299 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 28 | 0 | 40 | 0 | 2 | 2 | 576 | pd425 | null | -9.272272401 | 4.765333206 | 75.3930106 | 60.17892468 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.9378248 | 111.9537218 | 196.9992594 | 75.15827214 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=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 | 233.0320107 | 82.48709664 | 2.862399314 | 60.43853126 | 23.57583074 | 224.6638401 | 80.96037062 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['meA', 'Mono54', 'meL', 'Me_Phe(3-Cl)', 'L', 'meF', 'meI', 'T', 'Pr_Gly', 'meL', 'Asp_piperidide'] | [0.1353999999999999, -0.8292999999999999, 1.1616, 2.0116, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.5271000000000001, 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 | 0.0 | 11.60093989 | 276.4647817 | 75.01715897 | 23.57583074 | 305.6016494 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2198 | null | 328.57 | null | 1093.911633 | 6.138138619 | 186.2610225 | -9.193428152 | -7.10697628 | -94.24194977 | -105.7417143 | -88.94974921 | -159.7158656 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.110206395 | null |
6e8084ae646b8b453a20da5de8150ceaae6f2026f757e5d22d1e2d8bfcea3536 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,198 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Mono55', 'meL', 'T', 'Pr_Gly', 'meL', 'Ser(isoamyl)', 'meF', 'meV', 'Asp_piperidide'] | 100 | 2199 | -5.85 | -5.85 | Circle | 1 | -3.67e-16 | -2.75783478 | -3.24e-16 | -2.894356111 | -1.42e-16 | -1.146421429 | 5.55e-16 | -0.249290725 | 3.76178611 | 8853.84762 | 236.0 | null | -5.85 | 188.6130368 | 176.8985358 | 50.89853579 | 99.65027062 | 88.1586099 | 25.60604534 | 17.24968352 | 17.24968352 | 10.07259312 | 10.07259312 | 5.944755434 | 5.944755434 | null | null | null | null | 551.3737165 | 68.74334542 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 19.69134229 | 104.2985325 | 1486.941476 | 0.613207547 | 1.169811321 | 1.716981132 | 0.692307692 | 236.0 | PEPTIDE2199{[dV].[meF].[Mono55].[meL].T.[Pr_Gly].[meL].[Ser(isoamyl)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2199,PEPTIDE2199,1:R1-11:R2$$$ | PEPTIDE2199{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono55/">[Mono55]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(isoamyl)/">[Ser(isoamyl)]</a>.<a hre... | -8.08 | 106 | 1360.926 | 2199 | null | null | 2.22e+91 | 17.86292875 | 43.05161472 | 27.61027726 | 805.874891 | null | 18.33957296 | 0.390716754 | 18.33957296 | 0.247806844 | 2.372928747 | 0.247806844 | -8.281103027 | -0.390716754 | 3.3208 | 402.3121 | 1487.934 | Circle | 11 | 11 | null | 7 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 7 | 28 | 0 | 44 | 0 | 2 | 2 | 594 | pd426 | null | -9.585713325 | 4.2507083 | 80.53977717 | 60.17892468 | 7.059210392 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.7950004 | 105.7628421 | 194.3013015 | 86.72132439 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCCC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(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](COCC(C)(C)O)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 247.4052671 | 70.88615675 | 2.862399314 | 60.84843488 | 29.46978843 | 231.5157322 | 87.10251421 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7979] | [['-5.82']] | ['2023_Ohta'] | ['dV', 'meF', 'Mono55', 'meL', 'T', 'Pr_Gly', 'meL', 'Ser(isoamyl)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, -0.4392000000000004, 1.1616, -0.1918000000000002, 0.5271000000000001, 1.1616, 0.8359999999999994, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 58.56, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 277.2280483 | 79.75402192 | 29.46978843 | 321.15706 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2199 | null | 346.59 | null | 1160.152549 | 0.0 | 190.5225573 | -10.39672447 | -13.40188325 | -101.5596156 | -109.7721829 | -75.61271694 | -180.4319834 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.078491542 | null |
234520d0d186cecdf223b9457294c502fb829163091d1d0d781111936d148948 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,199 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Mono55', 'Me_Phe(3-Cl)', 'meL', 'Asp_piperidide'] | 95 | 2200 | -5.89 | -5.89 | Circle | 2 | -2.68e-16 | -2.758002523 | -2.59e-16 | -2.889234727 | -6.7e-17 | -1.135764835 | 1.19e-15 | -0.249287767 | 3.698078105 | 8465.449933 | 255.0 | null | -5.89 | 180.40593 | 168.368252 | 50.12418092 | 95.44316383 | 83.93934385 | 25.26474376 | 17.02067614 | 17.39864061 | 9.874611445 | 10.06359368 | 5.872974906 | 6.014711583 | null | null | null | null | 530.8630357 | 68.74334542 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 106.3041625 | 1462.860639 | 0.611650485 | 1.155339806 | 1.737864078 | 0.68 | 255.0 | PEPTIDE2200{[dV].[meF].L.[meL].T.[Sar].[meL].[Mono55].[Me_Phe(3-Cl)].[meL].[Asp_piperidide]}$PEPTIDE2200,PEPTIDE2200,1:R1-11:R2$$$ | PEPTIDE2200{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono55/">[Mono55]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[M... | -7.75 | 103 | 1344.347 | 2200 | null | null | 4.4300000000000005e+86 | 17.92702119 | 40.50181538 | 26.72191769 | 782.1349922 | null | 18.34100128 | 0.390716756 | 18.34100128 | 0.247548563 | 2.292982868 | 0.247548563 | -8.291854822 | -0.390716756 | 3.5675 | 391.8861 | 1464.299 | Circle | 11 | 11 | null | 7 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 7 | 28 | 0 | 40 | 0 | 2 | 2 | 576 | pd427 | null | -9.734955322 | 4.881439124 | 75.80291422 | 60.17892468 | 7.059210392 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.416792 | 117.8476795 | 190.5023997 | 73.30854637 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cccc(Cl)c2)N(C)C(=O)[C@H](COCC(C)(C)O)NC(=O)[C@H](CC(C)C)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 | 233.0730942 | 82.48709664 | 2.862399314 | 60.84843488 | 29.46978843 | 224.6638401 | 74.46351094 | 70.53130467 | 0 | 0.0 | [['Caco2']] | [7980] | [['-5.85']] | ['2023_Ohta'] | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Mono55', 'Me_Phe(3-Cl)', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, -0.4392000000000004, 2.0116, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 58.56, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.60093989 | 264.589045 | 75.01715897 | 29.46978843 | 304.709858 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2200 | null | 337.36 | null | 1092.073081 | 6.130520805 | 189.2110015 | -12.53454191 | -13.22492712 | -100.2929811 | -105.2738178 | -76.89179528 | -157.8354292 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.105751235 | null |
24826a1fd88876248c57cf77bf02d8c40184cec09852c1863affcd09980b6549 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,200 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Mono55', 'meL', 'meF', 'L', 'meF', 'meI', 'T', 'Pr_Gly', 'meL', 'Asp_piperidide'] | 90 | 2201 | -5.55 | -5.55 | Circle | 1 | -2.74e-16 | -2.757964177 | -3.01e-16 | -2.890037561 | -1.11e-16 | -1.135211754 | 9.16e-16 | -0.249287763 | 3.746208249 | 8608.90598 | 219.0 | null | -5.55 | 182.90593 | 171.4902875 | 49.4902875 | 96.6544887 | 85.52675481 | 24.92140385 | 16.9171041 | 16.9171041 | 10.04277237 | 10.04277237 | 5.899837144 | 5.899837144 | null | null | null | null | 538.4487444 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 94.70322258 | 1442.915261 | 0.631067961 | 1.213592233 | 1.786407767 | 0.684210526 | 220.0 | PEPTIDE2201{[meA].[Mono55].[meL].[meF].L.[meF].[meI].T.[Pr_Gly].[meL].[Asp_piperidide]}$PEPTIDE2201,PEPTIDE2201,1:R1-11:R2$$$ | PEPTIDE2201{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono55/">[Mono55]</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/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gl... | -8.04 | 103 | 1320.905 | 2201 | null | null | 4.9800000000000005e+87 | 17.32763536 | 40.86424281 | 25.66333107 | 782.5634944 | null | 18.39590523 | 0.390716754 | 18.39590523 | 0.247806845 | 2.393938681 | 0.247806845 | -8.375627182 | -0.390716754 | 3.4004 | 391.5734 | 1443.881 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 41 | 0 | 2 | 2 | 576 | pd428 | null | -8.508936066 | 4.474363938 | 75.3930106 | 60.17892468 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.464141 | 106.7207765 | 196.0889018 | 74.67930493 | null | -5.55 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=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](COCC(C)(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)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C1=O | 237.1442864 | 70.88615675 | 2.862399314 | 60.43853126 | 23.57583074 | 231.036765 | 80.96037062 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7983] | [['-5.54']] | ['2023_Ohta'] | ['meA', 'Mono55', 'meL', 'meF', 'L', 'meF', 'meI', 'T', 'Pr_Gly', 'meL', 'Asp_piperidide'] | [0.1353999999999999, -0.4392000000000004, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.5271000000000001, 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 | 0.0 | 0.0 | 275.9858144 | 75.01715897 | 23.57583074 | 316.5658171 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2201 | null | 328.57 | null | 1121.575392 | 0.0 | 186.5721526 | -6.715901753 | -13.39700499 | -94.81551376 | -109.4237974 | -83.44614961 | -166.849177 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.110689584 | null |
6d1bb0136b271d91acd6907482df750311e9bb59c5285a6b29ebe671a9d2feef | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,201 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'Mono55', 'meF', 'meI', 'T', 'Pr_Gly', 'meL', 'Asp_piperidide'] | 90 | 2202 | -5.48 | -5.48 | Circle | 7 | -3.4e-16 | -2.758008759 | -2.97e-16 | -2.891844832 | -1.36e-16 | -1.135778209 | 8.61e-16 | -0.249287767 | 3.750756154 | 8608.90598 | 229.0 | null | -5.48 | 182.90593 | 171.4902875 | 49.4902875 | 96.6544887 | 85.52675481 | 24.92140385 | 16.9171041 | 16.9171041 | 10.04277237 | 10.04277237 | 5.899837144 | 5.899837144 | null | null | null | null | 538.4487444 | 75.55605468 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 91.96170547 | 1442.915261 | 0.631067961 | 1.213592233 | 1.786407767 | 0.684210526 | 215.0 | PEPTIDE2202{[meA].L.[meL].[meF].[Mono55].[meF].[meI].T.[Pr_Gly].[meL].[Asp_piperidide]}$PEPTIDE2202,PEPTIDE2202,1:R1-11:R2$$$ | PEPTIDE2202{<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/Mono55/">[Mono55]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gl... | -8.04 | 103 | 1320.905 | 2202 | null | null | 6.9000000000000005e+87 | 17.32763536 | 40.86424281 | 25.66333107 | 782.5634944 | null | 18.43245101 | 0.390716754 | 18.43245101 | 0.247806845 | 2.399441531 | 0.247806845 | -8.371016296 | -0.390716754 | 3.4004 | 391.5734 | 1443.881 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 41 | 0 | 2 | 2 | 576 | pd429 | null | -8.536878603 | 4.490820268 | 75.3930106 | 60.17892468 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.464141 | 106.7207765 | 196.0889018 | 74.67930493 | null | -5.48 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=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](COCC(C)(C)O)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 | 237.1442864 | 70.88615675 | 2.862399314 | 60.43853126 | 23.57583074 | 231.036765 | 80.96037062 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7984] | [['-5.47']] | ['2023_Ohta'] | ['meA', 'L', 'meL', 'meF', 'Mono55', 'meF', 'meI', 'T', 'Pr_Gly', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, -0.4392000000000004, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.5271000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 58.56, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 275.9858144 | 75.01715897 | 23.57583074 | 316.5658171 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2202 | null | 328.57 | null | 1121.637215 | 0.0 | 186.55853 | -6.667524625 | -13.47794979 | -94.72538484 | -109.5291661 | -83.33462152 | -166.9610986 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.110689584 | null |
e621a1fb342022fd8a3ddaf9ea17bf9db54ee837c48598684e8f6ee08c2617b0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,202 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'Mono55', 'meL', 'T', 'Pr_Gly', 'Me_Phe(3-Cl)', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 106 | 2203 | -5.89 | -5.89 | Circle | 8 | -2.97e-16 | -2.757874127 | -2.96e-16 | -2.890042434 | -1.65e-17 | -1.135213389 | 1.19e-15 | -0.249287763 | 3.708113855 | 8599.861968 | 231.0 | null | -5.89 | 183.6130368 | 171.2765003 | 51.03242921 | 97.11159548 | 85.37398534 | 25.64659885 | 17.2545933 | 17.63255777 | 9.857522683 | 10.04650492 | 5.805405752 | 5.947142429 | null | null | null | null | 537.8010797 | 65.96074478 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 19.69134229 | 111.7871967 | 1492.871203 | 0.638095238 | 1.19047619 | 1.742857143 | 0.684210526 | 230.0 | PEPTIDE2203{[Sar].[meF].[Mono55].[meL].T.[Pr_Gly].[Me_Phe(3-Cl)].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2203,PEPTIDE2203,1:R1-11:R2$$$ | PEPTIDE2203{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono55/">[Mono55]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a h... | -7.79 | 105 | 1372.357 | 2203 | null | null | 1.1699999999999999e+89 | 18.38831187 | 41.36112036 | 28.13636963 | 796.5753354 | null | 18.2174678 | 0.390716754 | 18.2174678 | 0.247806844 | 2.274861948 | 0.247806844 | -8.327122808 | -0.390716754 | 3.4343 | 398.2384 | 1494.325 | Circle | 11 | 11 | null | 6 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 6 | 29 | 0 | 38 | 0 | 2 | 2 | 588 | pd430 | null | -9.701503588 | 5.391713951 | 80.12987355 | 54.16103222 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 101.8611157 | 126.6154405 | 196.9992594 | 96.07771778 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](Cc2cccc(Cl)c2)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](COCC(C)(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 | [['Caco2']] | [7985] | [['-5.85']] | ['2023_Ohta'] | ['Sar', 'meF', 'Mono55', 'meL', 'T', 'Pr_Gly', 'Me_Phe(3-Cl)', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, -0.4392000000000004, 1.1616, -0.1918000000000002, 0.5271000000000001, 2.0116, 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 | 0.0 | 11.60093989 | 288.6248177 | 79.75402192 | 17.68187306 | 308.8221337 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2203 | null | 337.8 | null | 1112.561796 | 6.113612347 | 186.0834179 | -9.21369595 | -19.78998175 | -86.51391868 | -97.37143648 | -76.04984922 | -179.708833 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.110593483 | null |
708262438abd7ce98ee9c2dc45602a7c8f13a1637d21c9a1a55224e5f54865e2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,203 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Pr_Gly', 'meF', 'I', 'meL', 'T', 'Pr_Gly', 'meF', 'meL', 'Mono55', 'meV', 'Asp_piperidide'] | 93 | 2204 | -5.96 | -5.96 | Circle | 4 | -3.27e-16 | -2.758021019 | -3.16e-16 | -2.8915063 | -8.83e-17 | -1.135239093 | 6.95e-16 | -0.249287763 | 3.740167815 | 8610.415756 | 231.0 | null | -5.96 | 182.90593 | 171.4902875 | 49.4902875 | 96.6544887 | 85.52675481 | 24.92140385 | 16.7921041 | 16.7921041 | 9.985143033 | 9.985143033 | 5.890803512 | 5.890803512 | null | null | null | null | 538.4487444 | 71.44377901 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 96.07398113 | 1442.915261 | 0.621359223 | 1.184466019 | 1.72815534 | 0.684210526 | 227.0 | PEPTIDE2204{[Pr_Gly].[meF].I.[meL].T.[Pr_Gly].[meF].[meL].[Mono55].[meV].[Asp_piperidide]}$PEPTIDE2204,PEPTIDE2204,1:R1-11:R2$$$ | PEPTIDE2204{<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono55/">... | -8.04 | 103 | 1320.905 | 2204 | null | null | 1.03e+88 | 17.32763536 | 41.45027065 | 25.95753171 | 782.5634944 | null | 18.18511776 | 0.390716754 | 18.18511776 | 0.247806844 | 2.327938242 | 0.247806844 | -8.319164152 | -0.390716754 | 3.402 | 391.5954 | 1443.881 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 41 | 0 | 2 | 2 | 576 | pd431 | null | -8.319212941 | 4.630174727 | 75.3930106 | 54.16103222 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.3160332 | 99.86888439 | 194.239176 | 82.54692317 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(CCC)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCC(C)(C)O)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC1=O | 237.1442864 | 70.88615675 | 2.862399314 | 60.43853126 | 23.57583074 | 225.0188725 | 86.97826309 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7987] | [['-5.92']] | ['2023_Ohta'] | ['Pr_Gly', 'meF', 'I', 'meL', 'T', 'Pr_Gly', 'meF', 'meL', 'Mono55', 'meV', 'Asp_piperidide'] | [0.5271000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, 0.5271000000000001, 1.3581999999999996, 1.1616, -0.4392000000000004, 0.7715000000000001, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 58.56, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 275.9858144 | 75.01715897 | 23.57583074 | 316.5658171 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2204 | null | 328.57 | null | 1120.372809 | 0.0 | 186.6806109 | -6.870995653 | -13.27513866 | -95.28796441 | -100.9161295 | -82.32048461 | -174.8827074 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.10435572 | null |
fd1aed738ca925b871f3d50d584d1f70cba772fa4f80d8c3aec6d1e5bac35e69 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,204 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'T', 'Pr_Gly', 'meL', 'Mono55', 'meF', 'meL', 'Asp_piperidide'] | 89 | 2205 | -5.82 | -5.82 | Circle | 7 | -3.46e-16 | -2.758003603 | -3.22e-16 | -2.890645445 | -1.72e-16 | -1.135764963 | 6.11e-16 | -0.249287767 | 3.770258063 | 8704.908785 | 237.0 | null | -5.82 | 185.40593 | 173.9902875 | 49.9902875 | 97.94316383 | 86.75036161 | 25.19779705 | 17.0684973 | 17.0684973 | 9.947825425 | 9.947825425 | 5.936731739 | 5.936731739 | null | null | null | null | 544.6286709 | 76.96789676 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 93.33246402 | 1456.930911 | 0.596153846 | 1.105769231 | 1.644230769 | 0.688311688 | 239.0 | PEPTIDE2205{[dV].[meF].L.[meL].T.[Pr_Gly].[meL].[Mono55].[meF].[meL].[Asp_piperidide]}$PEPTIDE2205,PEPTIDE2205,1:R1-11:R2$$$ | PEPTIDE2205{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono55/">[Mono55]</a>.<a href="/monomers/meF/">[meF]... | -8.04 | 104 | 1332.916 | 2205 | null | null | 6.039999999999999e+89 | 17.40675192 | 41.60013508 | 26.83097411 | 791.5864627 | null | 18.40262624 | 0.390716754 | 18.40262624 | 0.247806844 | 2.355831427 | 0.247806844 | -8.348854101 | -0.390716754 | 3.6943 | 396.1101 | 1457.908 | Circle | 11 | 11 | null | 7 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 7 | 27 | 0 | 42 | 0 | 2 | 2 | 582 | pd432 | null | -9.092653247 | 4.417565746 | 75.80291422 | 60.17892468 | 7.059210392 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.7950004 | 112.135767 | 190.4838334 | 74.67930493 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCC(C)(C)O)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](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 239.926887 | 70.88615675 | 2.862399314 | 60.84843488 | 29.46978843 | 237.8886571 | 73.98454372 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7988] | [['-5.80']] | ['2023_Ohta'] | ['dV', 'meF', 'L', 'meL', 'T', 'Pr_Gly', 'meL', 'Mono55', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.5271000000000001, 1.1616, -0.4392000000000004, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 58.56, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 264.1100778 | 75.01715897 | 29.46978843 | 324.7884678 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2205 | null | 337.36 | null | 1140.749474 | 0.0 | 190.4429715 | -10.3782953 | -13.42609552 | -101.9175527 | -109.7526518 | -84.44059771 | -166.5272527 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.093735083 | null |
c43efe36b002a086930bc9f9bfa41cba20eb9d1c685ae76d26f224a5f8b79c31 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,205 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Mono56', 'meL', 'T', 'Sar', 'meL', 'Ser(isoamyl)', 'meF', 'meL', 'Asp_piperidide'] | 97 | 2206 | -4.85 | -4.85 | Circle | 5 | -3.05e-16 | -2.757995869 | -3.28e-16 | -2.891817243 | -9.31e-17 | -1.146445639 | 9.83e-16 | -0.249291012 | 3.729339956 | 8853.84762 | 259.0 | null | -4.85 | 188.6130368 | 176.8985358 | 50.89853579 | 99.65027062 | 88.1586099 | 25.60604534 | 17.26288012 | 17.26288012 | 9.994819652 | 9.994819652 | 5.844679412 | 5.844679412 | null | null | null | null | 551.3737165 | 70.11410398 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 19.69134229 | 102.9277739 | 1486.941476 | 0.575471698 | 1.075471698 | 1.58490566 | 0.692307692 | 263.0 | PEPTIDE2206{[dV].[meF].[Mono56].[meL].T.[Sar].[meL].[Ser(isoamyl)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2206,PEPTIDE2206,1:R1-11:R2$$$ | PEPTIDE2206{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono56/">[Mono56]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(isoamyl)/">[Ser(isoamyl)]</a>.<a href="/mo... | -8.08 | 106 | 1360.926 | 2206 | null | null | 6.27e+91 | 17.86292875 | 43.05161472 | 28.24526748 | 805.874891 | null | 18.3933535 | 0.390716756 | 18.3933535 | 0.247548563 | 2.37678573 | 0.247548563 | -8.356388336 | -0.390716756 | 3.3208 | 402.3121 | 1487.934 | Circle | 11 | 11 | null | 7 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 16 | 7 | 28 | 0 | 44 | 0 | 2 | 2 | 594 | pd433 | null | -9.822456183 | 4.185333976 | 80.53977717 | 60.17892468 | 7.059210392 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 112.135767 | 201.339254 | 80.16233915 | null | -4.85 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)CCOC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COCCC(C)(C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 247.4052671 | 70.88615675 | 2.862399314 | 60.84843488 | 29.46978843 | 231.036765 | 87.58148143 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'Mono56', 'meL', 'T', 'Sar', 'meL', 'Ser(isoamyl)', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, -0.0491000000000003, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.8359999999999994, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 58.56, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 277.7070155 | 79.75402192 | 29.46978843 | 320.6780928 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2206 | null | 346.59 | null | 1158.185542 | 0.0 | 189.9259726 | -10.31740436 | -13.25153948 | -100.4927047 | -109.5284795 | -82.93445105 | -172.0869349 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.078491542 | null |
9100784122ab2a5576fed30f5509ace3df685521e4818287a32ddf10dcbac5b2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,206 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meV', 'T', 'Sar', 'meL', 'Mono56', 'Me_Phe(3-Cl)', 'meL', 'Asp_piperidide'] | 95 | 2207 | -5.77 | -5.77 | Circle | 9 | -2.83e-16 | -2.758000294 | -2.82e-16 | -2.891338868 | -8.31e-17 | -1.135200073 | 1.14e-15 | -0.249287763 | 3.685333486 | 8465.449933 | 252.0 | null | -5.77 | 180.40593 | 168.368252 | 50.12418092 | 95.44316383 | 83.93934385 | 25.26474376 | 17.02067614 | 17.39864061 | 9.951346478 | 10.14032871 | 5.889456792 | 6.031193469 | null | null | null | null | 530.8630357 | 66.00182831 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 109.0456796 | 1462.860639 | 0.631067961 | 1.223300971 | 1.834951456 | 0.68 | 248.0 | PEPTIDE2207{[dV].[meF].L.[meV].T.[Sar].[meL].[Mono56].[Me_Phe(3-Cl)].[meL].[Asp_piperidide]}$PEPTIDE2207,PEPTIDE2207,1:R1-11:R2$$$ | PEPTIDE2207{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono56/">[Mono56]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[M... | -7.75 | 103 | 1344.347 | 2207 | null | null | 2.71e+87 | 17.92702119 | 40.50181538 | 26.41608997 | 782.1349922 | null | 18.36857778 | 0.390716756 | 18.36857778 | 0.247548565 | 2.302948254 | 0.247548565 | -8.305696673 | -0.390716756 | 3.5675 | 391.8861 | 1464.299 | Circle | 11 | 11 | null | 7 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 7 | 28 | 0 | 40 | 0 | 2 | 2 | 576 | pd434 | null | -9.702564229 | 4.735196397 | 75.80291422 | 60.17892468 | 7.059210392 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.416792 | 117.8476795 | 197.061385 | 66.74956113 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cccc(Cl)c2)N(C)C(=O)[C@H](COCCC(C)(C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)N(C)C1=O | 233.0730942 | 82.48709664 | 2.862399314 | 60.84843488 | 29.46978843 | 224.6638401 | 74.46351094 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'meV', 'T', 'Sar', 'meL', 'Mono56', 'Me_Phe(3-Cl)', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 0.7715000000000001, -0.1918000000000002, -0.2531000000000001, 1.1616, -0.0491000000000003, 2.0116, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 58.56, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.60093989 | 264.589045 | 75.01715897 | 29.46978843 | 304.709858 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2207 | null | 337.36 | null | 1091.275869 | 6.133203722 | 189.0235636 | -12.48436089 | -13.07832341 | -100.4998081 | -105.0494095 | -75.74845 | -158.2111738 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.098926088 | null |
93c1178aa379597529fcf1ab42ae23807680d04450f8b700dd182639fd18026a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,207 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meV', 'I', 'meF', 'Me_Phe(3-Cl)', 'Mono56', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | 98 | 2208 | -5.85 | -5.85 | Circle | 7 | -2.81e-16 | -2.758608708 | -3.06e-16 | -2.893419845 | -6.78e-17 | -1.136010622 | 1.06e-15 | -0.249287767 | 3.74646693 | 8972.442076 | 225.0 | null | -5.85 | 190.40593 | 178.368252 | 52.12418092 | 100.4044887 | 88.96573705 | 26.23835056 | 17.61928293 | 17.99724741 | 10.41938601 | 10.60836825 | 6.099958184 | 6.241694861 | null | null | null | null | 556.5477337 | 86.52212313 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 99.45036969 | 1518.923239 | 0.626168224 | 1.205607477 | 1.803738318 | 0.696202532 | 225.0 | PEPTIDE2208{[Mono6].[meV].I.[meF].[Me_Phe(3-Cl)].[Mono56].[meL].T.[meL].[meL].[Asp_piperidide]}$PEPTIDE2208,PEPTIDE2208,1:R1-11:R2$$$ | PEPTIDE2208{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/Mono56/">[Mono56]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/mo... | -7.75 | 107 | 1392.391 | 2208 | null | null | 4.04e+92 | 18.22959184 | 42.8549677 | 27.40305368 | 818.9864395 | null | 18.51768051 | 0.390716755 | 18.51768051 | 0.247762917 | 2.312865144 | 0.247762917 | -8.462366639 | -0.390716755 | 5.08 | 410.3644 | 1520.407 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 28 | 0 | 42 | 0 | 2 | 2 | 600 | pd435 | null | -10.39175819 | 4.997780158 | 75.3930106 | 60.17892468 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.7897169 | 124.2206044 | 231.9853406 | 57.51118433 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COCCC(C)(C)O)NC(=O)[C@H](Cc2cccc(Cl)c2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 243.9980792 | 82.48709664 | 2.862399314 | 60.43853126 | 29.46978843 | 243.7826148 | 81.43933784 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meV', 'I', 'meF', 'Me_Phe(3-Cl)', 'Mono56', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 0.7715000000000001, 0.8193999999999999, 1.3581999999999996, 2.0116, -0.0491000000000003, 1.1616, -0.1918000000000002, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 58.56, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.60093989 | 276.4647817 | 75.01715897 | 29.46978843 | 336.1654597 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2208 | null | 328.57 | null | 1170.683015 | 6.166729824 | 187.0563275 | -9.447213334 | -13.25850189 | -102.4119876 | -107.1949644 | -98.30119642 | -166.9310971 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.094197395 | null |
a2e0c864ba6d2f8bab3fbce3f2c9fbc7394cec7b9cb3c8f3a98c56ff5cb304d1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,208 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Mono56', 'meL', 'meF', 'L', 'Me_Hph', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 90 | 2209 | -5.89 | -5.89 | Circle | 6 | -3.37e-16 | -2.757915504 | -2.98e-16 | -2.883944647 | -1.16e-16 | -1.135214395 | 1.1e-15 | -0.249287763 | 3.704536282 | 8592.90598 | 227.0 | null | -5.89 | 182.90593 | 171.4902875 | 49.4902875 | 96.6544887 | 85.52675481 | 24.92140385 | 16.9303007 | 16.9303007 | 9.902498906 | 9.902498906 | 5.743859423 | 5.743859423 | null | null | null | null | 538.4487444 | 70.07302045 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 97.44473969 | 1442.915261 | 0.601941748 | 1.13592233 | 1.708737864 | 0.684210526 | 229.0 | PEPTIDE2209{[meA].[Mono56].[meL].[meF].L.[Me_Hph].[meL].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2209,PEPTIDE2209,1:R1-11:R2$$$ | PEPTIDE2209{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Mono56/">[Mono56]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Hph/">[Me_Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sa... | -8.04 | 103 | 1320.905 | 2209 | null | null | 3.1900000000000003e+86 | 17.32763536 | 40.86424281 | 26.56131547 | 782.5634944 | null | 18.37430277 | 0.390716756 | 18.37430277 | 0.247548563 | 2.229269642 | 0.247548563 | -8.415366856 | -0.390716756 | 3.4004 | 391.5734 | 1443.881 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 41 | 0 | 2 | 2 | 576 | pd436 | null | -8.652594763 | 4.318455482 | 75.3930106 | 60.17892468 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 125.8395512 | 196.7539293 | 68.12031968 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COCCC(C)(C)O)NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2ccccc2)N(C)C1=O | 237.1442864 | 70.88615675 | 2.862399314 | 60.43853126 | 23.57583074 | 230.5577977 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'Mono56', 'meL', 'meF', 'L', 'Me_Hph', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, -0.0491000000000003, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.7483, 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 | 0.0 | 0.0 | 276.4647817 | 75.01715897 | 23.57583074 | 316.0868499 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2209 | null | 328.57 | null | 1118.913362 | 0.0 | 185.4506301 | -6.616556786 | -12.95446161 | -93.53965885 | -108.1383872 | -90.62761323 | -158.9873143 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.103545718 | null |
61f6a6d471dd936209e15aa46f02258e896f0c4e29f8bc83e3fb75cb4fcc9a25 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,209 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'Mono56', 'Me_Hph', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 90 | 2210 | -5.89 | -5.89 | Circle | 3 | -3.48e-16 | -2.757961087 | -2.96e-16 | -2.88551711 | -8.2e-17 | -1.135780267 | 6.85e-16 | -0.249287767 | 3.712388335 | 8592.90598 | 249.0 | null | -5.89 | 182.90593 | 171.4902875 | 49.4902875 | 96.6544887 | 85.52675481 | 24.92140385 | 16.9303007 | 16.9303007 | 9.902498906 | 9.902498906 | 5.743859423 | 5.743859423 | null | null | null | null | 538.4487444 | 75.55605468 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 91.96170547 | 1442.915261 | 0.601941748 | 1.13592233 | 1.708737864 | 0.684210526 | 254.0 | PEPTIDE2210{[meA].L.[meL].[meF].[Mono56].[Me_Hph].[meL].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2210,PEPTIDE2210,1:R1-11:R2$$$ | PEPTIDE2210{<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/Mono56/">[Mono56]</a>.<a href="/monomers/Me_Hph/">[Me_Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sa... | -8.04 | 103 | 1320.905 | 2210 | null | null | 2.52e+88 | 17.32763536 | 40.86424281 | 26.56131547 | 782.5634944 | null | 18.38017448 | 0.390716756 | 18.38017448 | 0.247548563 | 2.249854513 | 0.247548563 | -8.397374077 | -0.390716756 | 3.4004 | 391.5734 | 1443.881 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 41 | 0 | 2 | 2 | 576 | pd437 | null | -8.674570113 | 4.353185835 | 75.3930106 | 60.17892468 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 125.8395512 | 196.7539293 | 68.12031968 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2ccccc2)N(C)C(=O)[C@H](COCCC(C)(C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 237.1442864 | 70.88615675 | 2.862399314 | 60.43853126 | 23.57583074 | 230.5577977 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'Mono56', 'Me_Hph', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, -0.0491000000000003, 1.7483, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 58.56, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 276.4647817 | 75.01715897 | 23.57583074 | 316.0868499 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2210 | null | 328.57 | null | 1119.125649 | 0.0 | 185.4280682 | -6.578475945 | -13.05904475 | -93.4143849 | -108.3248586 | -90.5915352 | -159.0854175 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.103545718 | null |
a47a30aee291f9156253a584d603ad30352de3adffa07574d4f3737ff6669534 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,210 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'Me_Hph', 'L', 'meL', 'T', 'Sar', 'meL', 'Mono56', 'meF', 'meL', 'Asp_piperidide'] | 89 | 2211 | -6.0 | -6 | Circle | 6 | -3.07e-16 | -2.758026949 | -3.1e-16 | -2.88875972 | -1.9e-16 | -1.135766488 | 7.48e-16 | -0.249287767 | 3.729088862 | 8704.908785 | 239.0 | null | -6.0 | 185.40593 | 173.9902875 | 49.9902875 | 97.94316383 | 86.75036161 | 25.19779705 | 17.0816939 | 17.0816939 | 9.92595366 | 9.92595366 | 5.830921235 | 5.830921235 | null | null | null | null | 544.6286709 | 74.22637964 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.95447934 | 96.07398113 | 1456.930911 | 0.596153846 | 1.125 | 1.682692308 | 0.688311688 | 222.0 | PEPTIDE2211{[dV].[Me_Hph].L.[meL].T.[Sar].[meL].[Mono56].[meF].[meL].[Asp_piperidide]}$PEPTIDE2211,PEPTIDE2211,1:R1-11:R2$$$ | PEPTIDE2211{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/Me_Hph/">[Me_Hph]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono56/">[Mono56]</a>.<a href="/monomers/meF/">[meF]... | -8.04 | 104 | 1332.916 | 2211 | null | null | 1.11e+90 | 17.40675192 | 41.60013508 | 27.14212742 | 791.5864627 | null | 18.39581921 | 0.390716756 | 18.39581921 | 0.247548563 | 2.206430802 | 0.247548563 | -8.359163678 | -0.390716756 | 3.6943 | 396.1101 | 1457.908 | Circle | 11 | 11 | null | 7 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 7 | 27 | 0 | 42 | 0 | 2 | 2 | 582 | pd438 | null | -9.158432911 | 4.278675105 | 75.80291422 | 60.17892468 | 7.059210392 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 124.8816168 | 191.148861 | 68.12031968 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CCc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COCCC(C)(C)O)NC(=O)[C@H](CC(C)C)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 | 239.926887 | 70.88615675 | 2.862399314 | 60.84843488 | 29.46978843 | 237.4096899 | 74.46351094 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'Me_Hph', 'L', 'meL', 'T', 'Sar', 'meL', 'Mono56', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.7483, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, -0.0491000000000003, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 58.56, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 264.589045 | 75.01715897 | 29.46978843 | 324.3095006 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2211 | null | 337.36 | null | 1138.711101 | 0.0 | 189.584308 | -10.36429965 | -12.96332837 | -101.4902964 | -108.6397487 | -91.0195844 | -159.0681516 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.087685455 | null |
3e8b7b7b065612d77bd84794bbd5b00edc2952605f5cf6ee4b4289ac93aa0ef2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,211 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'L', 'meL', 'meF', 'L', 'meF', 'meL', 'Gln(Me2)', 'Sar', 'meL', 'Asp_piperidide'] | 89 | 2212 | -6.0 | -6 | Circle | 4 | -3.61e-16 | -2.758602606 | -3.21e-16 | -2.879240115 | -1.69e-16 | -1.136017374 | 7.21e-16 | -0.249287769 | 3.828358947 | 8919.730024 | 222.0 | null | -6.0 | 188.9393102 | 177.6210045 | 50.62100452 | 99.35277058 | 88.76870619 | 25.47985181 | 17.25436688 | 17.25436688 | 10.17685222 | 10.17685222 | 6.032531417 | 6.032531417 | null | null | null | null | 562.9422135 | 82.40984746 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 91.84082326 | 1465.967631 | 0.476190476 | 0.866666667 | 1.333333333 | 0.683544304 | 219.0 | PEPTIDE2212{[meL].L.[meL].[meF].L.[meF].[meL].[Gln(Me2)].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2212,PEPTIDE2212,1:R1-11:R2$$$ | PEPTIDE2212{<a href="/monomers/meL/">[meL]</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/meL/">[meL]</a>.<a href="/monomers/Gln(Me2)/">[Gln(Me2)]</a>.<a href="/monomers/Sar/">[Sar]... | -8.45 | 105 | 1338.947 | 2212 | null | null | 8.1e+91 | 17.17455637 | 42.03579975 | 26.82766232 | 803.7291758 | null | 18.48436881 | 0.348823055 | 18.48436881 | 0.245632015 | 2.31427973 | 0.245632015 | -8.524779593 | -0.348823055 | 5.3926 | 404.7058 | 1466.963 | Circle | 11 | 11 | null | 4 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 4 | 26 | 0 | 41 | 0 | 2 | 2 | 586 | pd439 | null | -8.065752441 | 3.13444156 | 65.33844099 | 60.17892468 | 5.647368313 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 142.6468925 | 110.2198981 | 233.3415503 | 43.02647282 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 236.5796541 | 76.79333648 | 0.0 | 65.33844099 | 35.36374611 | 231.6225787 | 82.27302116 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meL', 'L', 'meL', 'meF', 'L', 'meF', 'meL', 'Gln(Me2)', 'Sar', 'meL', 'Asp_piperidide'] | [1.1616, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.3582999999999998, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3444699 | 75.0748332 | 35.36374611 | 338.4280096 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2212 | null | 299.19 | null | 1168.850418 | 0.0 | 201.1331406 | -14.54134998 | -7.303225734 | -114.5194781 | -111.6741396 | -101.6156597 | -159.1630388 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.129436843 | null |
34f5d4cb7ddec6ec8c0454690c3efb5717f668c6c16022bdcffc2005388b3f03 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,212 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'meF', 'L', 'meL', 'Gln(Me2)', 'meA', 'meL', 'Ser(tBu)', 'meL', 'meL', 'Asp_piperidide'] | 96 | 2213 | -5.4 | -5.4 | Circle | 6 | -3.77e-16 | -2.758486479 | -3.07e-16 | -2.884387124 | -1.38e-16 | -1.136008725 | 6.15e-16 | -0.249287767 | 4.67888077 | 8495.594557 | 222.0 | null | -5.4 | 187.1823154 | 176.0292528 | 49.02925281 | 97.63445088 | 87.67695448 | 24.3881001 | 16.75148064 | 16.75148064 | 9.709583685 | 9.709583685 | 5.590477781 | 5.590477781 | null | null | null | null | 540.7636062 | 67.33150334 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 106.9191674 | 1433.962546 | 0.549019608 | 0.980392157 | 1.490196078 | 0.746666667 | 230.0 | PEPTIDE2213{[meA].[meF].L.[meL].[Gln(Me2)].[meA].[meL].[Ser(tBu)].[meL].[meL].[Asp_piperidide]}$PEPTIDE2213,PEPTIDE2213,1:R1-11:R2$$$ | PEPTIDE2213{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Gln(Me2)/">[Gln(Me2)]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/mono... | -7.71 | 102 | 1306.902 | 2213 | null | null | 4.69e+89 | 16.45876614 | 40.37299376 | 26.21422613 | 786.5155111 | null | 18.28870049 | 0.373172999 | 18.28870049 | 0.247481408 | 2.356678298 | 0.247481408 | -8.618862106 | -0.373172999 | 4.3273 | 391.0788 | 1434.918 | Circle | 11 | 11 | null | 4 | 27 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 14 | 4 | 27 | 0 | 39 | 0 | 2 | 2 | 576 | pd440 | null | -8.177817339 | 1.543301367 | 70.07530394 | 66.19681715 | 5.647368313 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 98.73101471 | 126.6490246 | 232.4516597 | 43.20661497 | null | -5.4 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=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](C)N(C)C(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@H](CC(C)C)N(C)C1=O | 241.3165171 | 76.79333648 | 0.0 | 65.33844099 | 29.46978843 | 251.0513485 | 82.33514671 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['meA', 'meF', 'L', 'meL', 'Gln(Me2)', 'meA', 'meL', 'Ser(tBu)', 'meL', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.3582999999999998, 0.1353999999999999, 1.1616, 0.5883999999999996, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 49.41, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 275.0255387 | 73.43877125 | 29.46978843 | 347.0473096 | 30.21209354 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2213 | null | 308.42 | null | 1161.844158 | 0.0 | 199.4392909 | -14.66490356 | -10.33608922 | -107.9018966 | -104.7641011 | -86.6491742 | -179.800617 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.159160178 | null |
8b859a594577dfde3d573a6d7e2836c14799328349175dcc86912767afe4a912 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,213 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'meL', 'Gln(Me2)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 95 | 2214 | -5.77 | -5.77 | Circle | 4 | -3.74e-16 | -2.758031425 | -2.37e-16 | -2.884512346 | -1.19e-16 | -1.135764393 | 7.43e-16 | -0.249287767 | 3.800321767 | 8922.665885 | 240.0 | null | -5.77 | 189.646417 | 178.0292528 | 51.02925281 | 99.8485525 | 88.90056128 | 25.6644933 | 17.41607044 | 17.41607044 | 10.02090061 | 10.02090061 | 5.920349753 | 5.920349753 | null | null | null | null | 563.1213358 | 85.19244809 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 89.09930615 | 1481.962546 | 0.537735849 | 0.971698113 | 1.471698113 | 0.683544304 | 239.0 | PEPTIDE2214{[dL].[meF].L.[meL].[Gln(Me2)].[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2214,PEPTIDE2214,1:R1-11:R2$$$ | PEPTIDE2214{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Gln(Me2)/">[Gln(Me2)]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monome... | -8.49 | 106 | 1354.946 | 2214 | null | null | 1.7e+91 | 17.54659317 | 42.15743739 | 28.01326531 | 808.6908062 | null | 18.43721681 | 0.373172999 | 18.43721681 | 0.247492366 | 2.319434922 | 0.247492366 | -8.390806977 | -0.373172999 | 4.8194 | 406.3285 | 1482.962 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 27 | 0 | 38 | 0 | 2 | 2 | 592 | pd441 | null | -8.317916595 | 3.205858424 | 70.48520757 | 60.17892468 | 7.059210392 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 128.9431082 | 118.5086919 | 222.2534478 | 57.92802599 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CCC(=O)N(C)C)NC(=O)[C@H](CC(C)C)N(C)C1=O | 241.3576006 | 76.79333648 | 0.0 | 65.74834461 | 29.46978843 | 237.7025967 | 81.8561795 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'L', 'meL', 'Gln(Me2)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.3582999999999998, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 49.41, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 263.6287693 | 79.81169615 | 29.46978843 | 337.5362183 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2214 | null | 317.21 | null | 1168.610617 | 0.0 | 203.992038 | -18.01021611 | -13.98780616 | -106.7375339 | -110.8982373 | -93.4037153 | -164.8984794 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118783357 | null |
62f1413af2cc0cf7642d58d22597b9f2a95bb47c07e5d2a77158611d9e208a15 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,214 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'Mono57', 'meL', 'T', 'Pr_Gly', 'meL', 'L', 'meF', 'meA', 'Asp_piperidide'] | 89 | 2215 | -5.96 | -5.96 | Circle | 2 | -3.32e-16 | -2.757014973 | -3.17e-16 | -2.89095026 | -1.04e-16 | -1.135683349 | 1.02e-15 | -0.249287767 | 3.694054054 | 8739.779564 | 257.0 | null | -5.96 | 185.3535238 | 173.4375011 | 50.4375011 | 97.9478878 | 86.48654051 | 25.39501065 | 17.13967724 | 17.13967724 | 9.923853844 | 9.923853844 | 5.892876833 | 5.892876833 | null | null | null | null | 549.8895808 | 67.37258686 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 101.5376578 | 1469.92616 | 0.628571429 | 1.142857143 | 1.685714286 | 0.675324675 | 232.0 | PEPTIDE2215{[dL].[meF].[Mono57].[meL].T.[Pr_Gly].[meL].L.[meF].[meA].[Asp_piperidide]}$PEPTIDE2215,PEPTIDE2215,1:R1-11:R2$$$ | PEPTIDE2215{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono57/">[Mono57]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]... | -8.53 | 105 | 1346.923 | 2215 | null | null | 2.44e+89 | 17.7657364 | 41.97666242 | 27.71804854 | 795.0700291 | null | 18.04619031 | 0.390716754 | 18.04619031 | 0.247806844 | 2.327943253 | 0.247806844 | -8.310639635 | -0.390716754 | 3.202 | 398.544 | 1470.907 | Circle | 11 | 11 | null | 7 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 7 | 28 | 0 | 37 | 0 | 2 | 2 | 586 | pd442 | null | -8.381767204 | 3.411991909 | 76.00391938 | 66.73790993 | 8.47105247 | 78.22453614 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 122.0912161 | 119.9455935 | 194.6520001 | 62.51926887 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCC(=O)NC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 239.6536995 | 76.79333648 | 1.431199657 | 66.15824824 | 23.57583074 | 237.8265315 | 73.98454372 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'Mono57', 'meL', 'T', 'Pr_Gly', 'meL', 'L', 'meF', 'meA', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, -0.2954000000000001, 1.1616, -0.1918000000000002, 0.5271000000000001, 1.1616, 0.8193999999999995, 1.3581999999999996, 0.1353999999999999, 0.1758999999999995] | [29.1, 20.31, 67.42999999999999, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 263.4151241 | 79.81169615 | 23.57583074 | 323.4177093 | 60.42418708 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2215 | null | 346.23 | null | 1124.331872 | 0.0 | 204.5370269 | -16.32052356 | -12.99583986 | -97.8313664 | -108.2287471 | -83.58279167 | -164.2429636 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.10011297 | null |
dccb940f4e0aadd722c5ae9cbf708f6afe9e7f8a85c1c320f4c13adcf9d00629 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,215 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Bu_Gly', 'meF', 'I', 'meL', 'T', 'Pr_Gly', 'meF', 'meL', 'Mono57', 'meA', 'Asp_piperidide'] | 93 | 2216 | -6.0 | -6 | Circle | 8 | -3.08e-16 | -2.757272711 | -2.46e-16 | -2.889128365 | -1.22e-16 | -1.135238724 | 1.04e-15 | -0.249291147 | 3.691818321 | 8769.289339 | 260.0 | null | -6.0 | 185.3535238 | 173.4375011 | 50.4375011 | 97.90921267 | 86.51293372 | 25.36861745 | 16.98828404 | 16.98828404 | 10.02367145 | 10.02367145 | 5.846948606 | 5.846948606 | null | null | null | null | 550.0825791 | 65.96074478 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 102.9084163 | 1469.92616 | 0.647619048 | 1.228571429 | 1.79047619 | 0.675324675 | 255.0 | PEPTIDE2216{[Bu_Gly].[meF].I.[meL].T.[Pr_Gly].[meF].[meL].[Mono57].[meA].[Asp_piperidide]}$PEPTIDE2216,PEPTIDE2216,1:R1-11:R2$$$ | PEPTIDE2216{<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono57/">... | -8.53 | 105 | 1346.923 | 2216 | null | null | 7.58e+89 | 17.7657364 | 42.57219534 | 27.08979108 | 795.221944 | null | 18.14314894 | 0.390716754 | 18.14314894 | 0.247806844 | 2.336522505 | 0.247806844 | -8.27685774 | -0.390716754 | 3.2998 | 398.6463 | 1470.907 | Circle | 11 | 11 | null | 6 | 28 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 28 | 0 | 37 | 0 | 2 | 2 | 586 | pd443 | null | -7.888819055 | 3.769394801 | 75.59401576 | 60.72001746 | 7.059210392 | 78.22453614 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 127.9851738 | 107.6787109 | 201.1488598 | 70.38688711 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(CCC)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COCC(=O)NC(C)(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N2CCCCC2)CC1=O | 239.612616 | 76.79333648 | 1.431199657 | 65.74834461 | 17.68187306 | 231.3296718 | 86.97826309 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Bu_Gly', 'meF', 'I', 'meL', 'T', 'Pr_Gly', 'meF', 'meL', 'Mono57', 'meA', 'Asp_piperidide'] | [0.9172, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, 0.5271000000000001, 1.3581999999999996, 1.1616, -0.2954000000000001, 0.1353999999999999, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 67.42999999999999, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 275.2908608 | 79.81169615 | 17.68187306 | 324.3095006 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2216 | null | 337.44 | null | 1123.865726 | 0.0 | 201.1215139 | -12.84278197 | -12.94280796 | -91.65685623 | -100.2516117 | -88.66930193 | -172.9572134 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.104463118 | null |
e4063d211012fdef156137ae9de59166d2a47139bba184ee785e746baa51f75c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,217 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'Hse(Et)', 'meL', 'T', 'Bu_Gly', 'meF', 'meL', 'L', 'meL', 'Asp_piperidide'] | 91 | 2218 | -5.96 | -5.96 | Circle | 7 | -3.44e-16 | -2.758118222 | -2.66e-16 | -2.885463041 | -8.85e-17 | -1.135988745 | 8.75e-16 | -0.249291367 | 3.686807893 | 8463.469343 | 197.0 | null | -5.96 | 179.6988233 | 168.5820392 | 48.58203921 | 94.84382853 | 84.16438238 | 24.46727971 | 16.24911448 | 16.24911448 | 9.69716395 | 9.69716395 | 5.73953794 | 5.73953794 | null | null | null | null | 532.3687264 | 70.07302045 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 94.64278148 | 1412.904697 | 0.584158416 | 1.089108911 | 1.623762376 | 0.68 | 206.0 | PEPTIDE2218{[Sar].[meF].[Hse(Et)].[meL].T.[Bu_Gly].[meF].[meL].L.[meL].[Asp_piperidide]}$PEPTIDE2218,PEPTIDE2218,1:R1-11:R2$$$ | PEPTIDE2218{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Hse(Et)/">[Hse(Et)]</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/L... | -8.0 | 101 | 1292.895 | 2218 | null | null | 2.3000000000000002e+86 | 16.87139918 | 41.80257888 | 26.09152341 | 768.5077073 | null | 18.18396744 | 0.390716754 | 18.18396744 | 0.247807006 | 2.270947161 | 0.247807006 | -8.309776463 | -0.390716754 | 4.0411 | 385.5886 | 1413.855 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 39 | 0 | 2 | 2 | 564 | pd445 | null | -7.567440974 | 3.440222317 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.464141 | 105.7628421 | 206.4653551 | 63.82790187 | null | -5.96 | null | null | null | null | null | null | null | null | null | 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](Cc2ccccc2)C(=O)N[C@@H](CCOCC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 230.6647196 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 218.4598872 | 87.45723031 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'Hse(Et)', 'meL', 'T', 'Bu_Gly', 'meF', 'meL', 'L', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.1999, 1.1616, -0.1918000000000002, 0.9172, 1.3581999999999996, 1.1616, 0.8193999999999995, 1.1616, 0.1758999999999995] | [20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.323723 | 75.01715897 | 23.57583074 | 314.2371241 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2218 | null | 308.34 | null | 1099.105743 | 0.0 | 185.5308496 | -10.33565763 | -6.926224798 | -93.24585864 | -99.94239224 | -97.41217987 | -158.0242791 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11030259 | null |
eab82122eb2d58d104a358058d05d7d1229fd858e85680c698e830c811afc7e0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,218 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'Nle(OH)', 'meL', 'meL', 'Asp_piperidide'] | 97 | 2219 | -5.89 | -5.89 | Circle | 2 | -3.94e-16 | -2.758672623 | -3.15e-16 | -2.886062217 | -1.27e-16 | -1.136018829 | 6.11e-16 | -0.249287767 | 3.788521761 | 9021.64004 | 224.0 | null | -5.89 | 192.1988233 | 181.0820392 | 51.08203921 | 101.0938285 | 90.41438238 | 25.71727971 | 17.35117655 | 17.35117655 | 10.16084965 | 10.16084965 | 5.982063264 | 5.982063264 | null | null | null | null | 564.2333509 | 87.89288168 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 90.53050581 | 1482.982947 | 0.547169811 | 1.018867925 | 1.556603774 | 0.7 | 217.0 | PEPTIDE2219{[Mono6].[meL].V.[meF].[meF].[Ser(tBu)].[meL].[Nle(OH)].[meL].[meL].[Asp_piperidide]}$PEPTIDE2219,PEPTIDE2219,1:R1-11:R2$$$ | PEPTIDE2219{<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/Nle(OH)/">[Nle(OH)]</a>.<a href="/mo... | -8.0 | 106 | 1352.95 | 2219 | null | null | 6.810000000000001e+93 | 17.28007346 | 43.11111111 | 27.65488844 | 814.3821229 | null | 18.47252491 | 0.396376556 | 18.47252491 | 0.247481289 | 2.382846011 | 0.247481289 | -8.609921693 | -0.396376556 | 5.8459 | 408.5816 | 1483.99 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 38 | 0 | 2 | 2 | 594 | pd446 | null | -9.021418654 | 3.734618326 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 131.2545417 | 232.4457415 | 51.4311663 | null | -5.89 | null | null | null | null | null | null | null | null | null | 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](CCCCO)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 | 244.3723052 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 250.4484465 | 81.43933784 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7909] | [['-5.89']] | ['2023_Ohta'] | ['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'Nle(OH)', 'meL', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.4292999999999995, 1.3581999999999996, 1.3581999999999996, 0.5883999999999996, 1.1616, -0.0641000000000004, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 49.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.8447558 | 75.01715897 | 29.46978843 | 354.3943437 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2219 | null | 308.34 | null | 1200.526154 | 0.0 | 187.4629878 | -11.06866935 | -13.97220715 | -102.6550814 | -110.9588236 | -107.1272429 | -167.2071177 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.097281856 | null |
7e392cb297d1e7d419e3e846491dcda4d0ef04d08625f26d5efe8cb6a97d2fd0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,219 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meV', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'Nle(OH)', 'meL', 'meL', 'Asp_piperidide'] | 97 | 2220 | -5.96 | -5.96 | Circle | 9 | -3.74e-16 | -2.758666171 | -3.65e-16 | -2.886567534 | -1.77e-16 | -1.136018225 | 3.8e-16 | -0.249287767 | 3.765889786 | 8897.09359 | 210.0 | null | -5.96 | 189.6988233 | 178.5820392 | 50.58203921 | 99.84382853 | 89.16438238 | 25.46727971 | 17.22617655 | 17.22617655 | 10.15425135 | 10.15425135 | 5.973029632 | 5.973029632 | null | null | null | null | 557.860426 | 82.40984746 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1468.967297 | 0.561904762 | 1.066666667 | 1.619047619 | 0.696202532 | 209.0 | PEPTIDE2220{[Mono6].[meV].V.[meF].[meF].[Ser(tBu)].[meL].[Nle(OH)].[meL].[meL].[Asp_piperidide]}$PEPTIDE2220,PEPTIDE2220,1:R1-11:R2$$$ | PEPTIDE2220{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meV/">[meV]</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/Nle(OH)/">[Nle(OH)]</a>.<a href="/mo... | -8.0 | 105 | 1340.939 | 2220 | null | null | 1.67e+92 | 17.1966759 | 42.36881999 | 27.07574452 | 805.2072398 | null | 18.42209406 | 0.396376556 | 18.42209406 | 0.247481289 | 2.363366136 | 0.247481289 | -8.594036677 | -0.396376556 | 5.4558 | 403.9646 | 1469.963 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 37 | 0 | 2 | 2 | 588 | pd447 | null | -8.701748847 | 3.654210172 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 124.8816168 | 229.7042244 | 51.4311663 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](CCCCO)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)N(C)[C@@H](C(C)C)C(=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)N1C | 241.6307881 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 244.0755216 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meV', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'Nle(OH)', 'meL', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 0.7715000000000001, 0.4292999999999995, 1.3581999999999996, 1.3581999999999996, 0.5883999999999996, 1.1616, -0.0641000000000004, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 49.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.8447558 | 75.01715897 | 29.46978843 | 345.2799017 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2220 | null | 308.34 | null | 1180.923622 | 0.0 | 187.061909 | -10.9658221 | -13.9090351 | -102.5128506 | -110.3566386 | -99.32275922 | -167.1684257 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.109262431 | null |
fd0287ebbd136362b73c41b668efa39c11a62bdae0caf8a5b9688c218c75935e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,220 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'V', 'meL', 'meF', 'V', 'meF', 'meL', 'Nle(OH)', 'Sar', 'meL', 'Asp_piperidide'] | 88 | 2221 | -5.89 | -5.89 | Circle | 5 | -3.38e-16 | -2.757958618 | -2.87e-16 | -2.882331517 | -1.09e-16 | -1.135236105 | 7.29e-16 | -0.249287763 | 3.646174831 | 8174.456683 | 213.0 | null | -5.89 | 173.9917165 | 163.1737909 | 47.17379092 | 91.88672175 | 81.50613409 | 23.80903142 | 16.09086619 | 16.09086619 | 9.72376173 | 9.72376173 | 5.678190137 | 5.678190137 | null | null | null | null | 519.2507559 | 63.21922767 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 96.01354003 | 1368.878482 | 0.551020408 | 1.030612245 | 1.551020408 | 0.671232877 | 212.0 | PEPTIDE2221{[meA].V.[meL].[meF].V.[meF].[meL].[Nle(OH)].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2221,PEPTIDE2221,1:R1-11:R2$$$ | PEPTIDE2221{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle(OH)/">[Nle(OH)]</a>.<a href="/monomers/Sar/">[Sar]</... | -7.96 | 98 | 1252.874 | 2221 | null | null | 1.1899999999999999e+83 | 16.3360478 | 38.99247 | 23.34204116 | 745.0443959 | null | 18.21271707 | 0.396376556 | 18.21271707 | 0.245632017 | 2.325636042 | 0.245632017 | -8.214517634 | -0.396376556 | 3.8804 | 374.6996 | 1369.802 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 36 | 0 | 2 | 2 | 546 | pd448 | null | -7.046990441 | 3.276277278 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 104.8049076 | 200.3853371 | 45.76798993 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)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](CCCCO)C(=O)N(C)CC(=O)N1C | 220.4448224 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 212.0248368 | 74.8803526 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'V', 'meL', 'meF', 'V', 'meF', 'meL', 'Nle(OH)', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.4292999999999995, 1.1616, 1.3581999999999996, 0.4292999999999995, 1.3581999999999996, 1.1616, -0.0641000000000004, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 49.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.6847197 | 70.28029601 | 29.46978843 | 302.381165 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2221 | null | 299.11 | null | 1059.696793 | 0.0 | 184.7396177 | -10.25991184 | -7.028218489 | -99.89108012 | -107.2359456 | -82.25121128 | -145.0200438 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.140782166 | null |
784c0147f189195ff8442d6729e1818668840ecaec4d3f10bd39465bc034ac4a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,221 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'meL', 'Nle(OH)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 94 | 2222 | -5.7 | -5.7 | Circle | 4 | -2.85e-16 | -2.757863979 | -3.17e-16 | -2.886806522 | -1.65e-16 | -1.13577361 | 5.35e-16 | -0.249287767 | 3.753220704 | 8654.103876 | 204.0 | null | -5.7 | 184.6988233 | 173.5820392 | 49.58203921 | 97.38250366 | 86.63798918 | 24.99367291 | 16.87756975 | 16.87756975 | 9.817810114 | 9.817810114 | 5.858713571 | 5.858713571 | null | null | null | null | 544.9215778 | 74.22637964 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 96.01354003 | 1440.935997 | 0.572815534 | 1.067961165 | 1.601941748 | 0.688311688 | 202.0 | PEPTIDE2222{[dL].[meF].L.[meL].[Nle(OH)].[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2222,PEPTIDE2222,1:R1-11:R2$$$ | PEPTIDE2222{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle(OH)/">[Nle(OH)]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.0 | 103 | 1316.917 | 2222 | null | null | 1.39e+88 | 17.03230257 | 41.47989796 | 27.20891898 | 786.7055587 | null | 18.3050394 | 0.396376556 | 18.3050394 | 0.247492366 | 2.371001747 | 0.247492366 | -8.274715321 | -0.396376556 | 4.7235 | 394.7203 | 1441.909 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 37 | 0 | 2 | 2 | 576 | pd449 | null | -8.474709992 | 3.596491003 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 124.8816168 | 200.263303 | 60.6695431 | null | -5.7 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CCCCO)NC(=O)[C@H](CC(C)C)N(C)C1=O | 236.1888374 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 237.7025967 | 74.46351094 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7915] | [['-5.70']] | ['2023_Ohta'] | ['dL', 'meF', 'L', 'meL', 'Nle(OH)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.0641000000000004, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 49.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.9690192 | 75.01715897 | 29.46978843 | 332.0531841 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2222 | null | 317.13 | null | 1140.805387 | 0.0 | 190.1269169 | -14.33634216 | -13.8449977 | -101.6923385 | -109.6798238 | -91.12497871 | -159.0038234 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.097797105 | null |
a81b7a778249fbdec1d7730968e612db0b7254493a98403e8882b5356d9f9c0d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,222 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'Nle(OH)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 94 | 2223 | -5.74 | -5.74 | Circle | 8 | -3.15e-16 | -2.757844018 | -2.86e-16 | -2.888217022 | -1.33e-16 | -1.135770888 | 8.95e-16 | -0.249287767 | 3.723674164 | 8530.15534 | 241.0 | null | -5.74 | 182.1988233 | 171.0820392 | 49.08203921 | 96.13250366 | 85.38798918 | 24.74367291 | 16.75256975 | 16.75256975 | 9.811211813 | 9.811211813 | 5.82172909 | 5.82172909 | null | null | null | null | 538.5486529 | 67.37258686 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 100.1258157 | 1426.920347 | 0.588235294 | 1.117647059 | 1.676470588 | 0.684210526 | 228.0 | PEPTIDE2223{[dV].[meF].L.[meL].[Nle(OH)].[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2223,PEPTIDE2223,1:R1-11:R2$$$ | PEPTIDE2223{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle(OH)/">[Nle(OH)]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.0 | 102 | 1304.906 | 2223 | null | null | 2.73e+87 | 16.95139801 | 40.74074841 | 26.05423891 | 777.5306756 | null | 18.26624236 | 0.396376556 | 18.26624236 | 0.247492366 | 2.343194594 | 0.247492366 | -8.244824482 | -0.396376556 | 4.3334 | 390.1033 | 1427.882 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 36 | 0 | 2 | 2 | 570 | pd450 | null | -8.152111528 | 3.505960988 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 118.5086919 | 197.5217859 | 60.6695431 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CCCCO)NC(=O)[C@H](CC(C)C)N(C)C1=O | 233.4473203 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 231.3296718 | 74.46351094 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'meL', 'Nle(OH)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.0641000000000004, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 49.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.9690192 | 75.01715897 | 29.46978843 | 322.938742 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2223 | null | 317.13 | null | 1121.043004 | 0.0 | 189.6269493 | -14.16340474 | -13.77040867 | -101.5319821 | -108.967661 | -83.17372301 | -159.0627735 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.106749788 | null |
8f8b8d9b9262070c3face2cbf84093933e4065c1c04e27f1c51be83ea0a408d8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,223 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meL', 'Nle(OH)', 'Sar', 'meL', 'Asp_piperidide'] | 88 | 2224 | -5.39 | -5.39 | Circle | 8 | -3.85e-16 | -2.757969411 | -2.75e-16 | -2.877560443 | -1.43e-16 | -1.135780155 | 6.93e-16 | -0.249287767 | 3.704506604 | 8421.212344 | 224.0 | null | -5.39 | 178.9917165 | 168.1737909 | 48.17379092 | 94.38672175 | 84.00613409 | 24.30903142 | 16.34086619 | 16.34086619 | 9.736958331 | 9.736958331 | 5.752159101 | 5.752159101 | null | null | null | null | 531.9966057 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 91.90126436 | 1396.909782 | 0.52 | 0.97 | 1.49 | 0.68 | 219.0 | PEPTIDE2224{[meA].L.[meL].[meF].L.[meF].[meL].[Nle(OH)].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2224,PEPTIDE2224,1:R1-11:R2$$$ | PEPTIDE2224{<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/meL/">[meL]</a>.<a href="/monomers/Nle(OH)/">[Nle(OH)]</a>.<a href="/monomers/Sar/">[Sar]</... | -7.96 | 100 | 1276.896 | 2224 | null | null | 5.13e+85 | 16.49691001 | 40.47420837 | 24.98197796 | 763.3941621 | null | 18.31753669 | 0.396376556 | 18.31753669 | 0.245632015 | 2.37292307 | 0.245632015 | -8.332340449 | -0.396376556 | 4.6606 | 383.9336 | 1397.856 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 38 | 0 | 2 | 2 | 558 | pd451 | null | -7.663453274 | 3.423121556 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 117.5507574 | 205.8683713 | 45.76798993 | null | -5.39 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CCCCO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 225.9278567 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 224.7706866 | 74.8803526 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meL', 'Nle(OH)', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.0641000000000004, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 49.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.6847197 | 70.28029601 | 29.46978843 | 320.610049 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2224 | null | 299.11 | null | 1099.163209 | 0.0 | 185.6173049 | -10.5152131 | -7.155479471 | -100.1699056 | -108.7127757 | -98.05326176 | -144.9238779 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119803095 | null |
54427f51d37596f5cf86e4186fa5d44d9cca04954e3d00e1321e764cc2ee3ff8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,224 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'Me_Abu(morpholino)', 'T', 'Bu_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 106 | 2225 | -5.89 | -5.89 | Circle | 3 | -3.36e-16 | -2.757870982 | -3.21e-16 | -2.900301791 | -1.03e-16 | -1.135087263 | 1.08e-15 | -0.249291281 | 3.23278438 | 9113.681084 | 215.0 | null | -5.89 | 192.4832803 | 180.9375011 | 51.9375011 | 101.7056358 | 90.46705786 | 26.32274159 | 17.69344184 | 17.69344184 | 10.42831982 | 10.42831982 | 6.208549662 | 6.208549662 | null | null | null | null | 569.20522 | 89.30472376 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 87.7889887 | 1511.97311 | 0.62037037 | 1.175925926 | 1.75 | 0.7 | 210.0 | PEPTIDE2225{[dL].[meF].L.[Me_Abu(morpholino)].T.[Bu_Gly].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2225,PEPTIDE2225,1:R1-11:R2$$$ | PEPTIDE2225{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu(morpholino)/">[Me_Abu(morpholino)]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]<... | -8.08 | 108 | 1382.956 | 2225 | null | null | 1.08e+94 | 18.02216983 | 43.34840487 | 27.49006902 | 822.6927853 | null | 18.40713331 | 0.390716754 | 18.40713331 | 0.247807006 | 2.410305745 | 0.247807006 | -8.462983541 | -0.390716754 | 3.7882 | 411.7363 | 1512.988 | Circle | 11 | 11 | null | 6 | 28 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 16 | 6 | 28 | 0 | 37 | 0 | 3 | 3 | 604 | pd452 | null | -9.154163479 | 3.610129201 | 75.43096898 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 62.43435594 | 0.0 | 0.0 | 0.0 | 128.464141 | 113.0937014 | 215.4574467 | 83.97980728 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 5 | CCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[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](CCN2CCOCC2)C(=O)N[C@@H]([C@@H](C)O)C1=O | 247.7794931 | 70.88615675 | 1.431199657 | 65.74834461 | 23.57583074 | 237.4096899 | 100.034108 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'L', 'Me_Abu(morpholino)', 'T', 'Bu_Gly', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, -0.1621999999999992, -0.1918000000000002, 0.9172, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 32.78, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 288.519544 | 79.75402192 | 23.57583074 | 332.5340519 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2225 | null | 329.6 | null | 1200.055525 | 0.0 | 189.6816866 | -14.37065372 | -14.02117075 | -96.24445008 | -111.1933604 | -91.95373828 | -186.4538386 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.103562765 | null |
6e4b057d855875c1de7dfd43cbe5807b55089d20f9711dfb035c9de9f98dcbe1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,225 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'Me_Abu(morpholino)', 'T', 'Bu_Gly', 'meV', 'Asp_piperidide'] | 100 | 2226 | -5.64 | -5.64 | Circle | 1 | -3.46e-16 | -2.757888551 | -3.15e-16 | -2.897968568 | -8.5e-17 | -1.135774472 | 6.08e-16 | -0.249291272 | 3.173342543 | 8754.866188 | 238.0 | null | -5.64 | 184.2761735 | 173.0292528 | 50.02925281 | 97.45985393 | 86.58520277 | 25.3881001 | 17.03173827 | 17.03173827 | 10.34086974 | 10.34086974 | 6.092961559 | 6.092961559 | null | null | null | null | 549.907323 | 78.29757179 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 90.53050581 | 1453.931246 | 0.596153846 | 1.144230769 | 1.701923077 | 0.688311688 | 235.0 | PEPTIDE2226{[meA].L.[meL].[meF].L.[meF].[Me_Abu(morpholino)].T.[Bu_Gly].[meV].[Asp_piperidide]}$PEPTIDE2226,PEPTIDE2226,1:R1-11:R2$$$ | PEPTIDE2226{<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/Me_Abu(morpholino)/">[Me_Abu(morpholino)]</a>.<a href="/monomers/T/">T</a>.<a href="/monome... | -8.04 | 104 | 1330.924 | 2226 | null | null | 5.21e+88 | 17.40675192 | 41.60013508 | 24.79533973 | 790.2065056 | null | 18.58643997 | 0.390716754 | 18.58643997 | 0.247807006 | 2.395108386 | 0.247807006 | -8.405312204 | -0.390716754 | 3.3352 | 396.3326 | 1454.908 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 37 | 0 | 3 | 3 | 580 | pd453 | null | -8.095281582 | 3.290133569 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 62.43435594 | 0.0 | 0.0 | 0.0 | 128.464141 | 99.38991717 | 218.3209979 | 69.07825412 | null | -5.64 | null | null | null | null | null | null | null | null | null | null | 5 | CCCCN1CC(=O)N(C)[C@@H](C(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)N(C)[C@@H](CCN2CCOCC2)C(=O)N[C@@H]([C@@H](C)O)C1=O | 234.7769953 | 70.88615675 | 1.431199657 | 65.33844099 | 23.57583074 | 218.1048548 | 100.4509497 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'Me_Abu(morpholino)', 'T', 'Bu_Gly', 'meV', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, -0.1621999999999992, -0.1918000000000002, 0.9172, 0.7715000000000001, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 32.78, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 288.2352446 | 75.01715897 | 23.57583074 | 311.9764749 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2226 | null | 311.58 | null | 1138.449893 | 0.0 | 184.7471252 | -10.37551676 | -7.244284289 | -94.63147831 | -109.7275734 | -90.97036417 | -171.9978017 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.134767682 | null |
edf8055ef2625c755f132913bfb56d56a04ac2b25550f19d0bbe3fe092cf7304 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,226 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meL', 'T', 'Bu_Gly', 'Me_Abu(morpholino)', 'Asp_piperidide'] | 100 | 2227 | -5.92 | -5.92 | Circle | 7 | -3.56e-16 | -2.760018749 | -3.04e-16 | -2.892113887 | -1.19e-16 | -1.135778256 | 6.88e-16 | -0.249291367 | 3.186367179 | 8879.14334 | 211.0 | null | -5.92 | 186.7761735 | 175.5292528 | 50.52925281 | 98.70985393 | 87.83520277 | 25.6381001 | 17.15673827 | 17.15673827 | 10.34746804 | 10.34746804 | 6.101995191 | 6.101995191 | null | null | null | null | 556.2802479 | 82.40984746 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 89.15974725 | 1467.946896 | 0.571428571 | 1.085714286 | 1.638095238 | 0.692307692 | 220.0 | PEPTIDE2227{[meA].L.[meL].[meF].L.[meF].[meL].T.[Bu_Gly].[Me_Abu(morpholino)].[Asp_piperidide]}$PEPTIDE2227,PEPTIDE2227,1:R1-11:R2$$$ | PEPTIDE2227{<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/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Bu_Gly/">[Bu_Gly]</a>.<a hr... | -8.04 | 105 | 1342.935 | 2227 | null | null | 4.04e+90 | 17.48678431 | 42.33919263 | 25.87087278 | 799.3813887 | null | 18.43379658 | 0.390716754 | 18.43379658 | 0.247807006 | 2.394257716 | 0.247807006 | -8.375076612 | -0.390716754 | 3.7253 | 400.9496 | 1468.935 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 38 | 0 | 3 | 3 | 586 | pd454 | null | -8.30571138 | 3.384557185 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 62.43435594 | 0.0 | 0.0 | 0.0 | 128.464141 | 105.7628421 | 221.062515 | 69.07825412 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 5 | CCCCN1CC(=O)N(C)[C@@H](CCN2CCOCC2)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)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O | 237.5185124 | 70.88615675 | 1.431199657 | 65.33844099 | 23.57583074 | 224.4777797 | 100.4509497 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'meL', 'T', 'Bu_Gly', 'Me_Abu(morpholino)', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, 0.9172, -0.1621999999999992, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 32.78, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 288.2352446 | 75.01715897 | 23.57583074 | 321.0909169 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2227 | null | 311.58 | null | 1157.856359 | 0.0 | 185.2632118 | -10.50755962 | -7.221971228 | -94.80977801 | -110.0308825 | -99.05028058 | -171.9990987 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.126199236 | null |
42988a33e4847dd950617826c38c078ecad3ee81a2865270a72a81c8cab621c0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,227 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'V', 'meL', 'T', 'Mono58', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 92 | 2228 | -5.96 | -5.96 | Circle | 8 | -3.52e-16 | -2.76169173 | -2.56e-16 | -2.900803745 | 7.26e-18 | -1.135236476 | 1.28e-15 | -0.249287763 | 3.165709413 | 8846.388216 | 222.0 | null | -5.96 | 186.7761735 | 174.2851818 | 51.28518175 | 98.70985393 | 87.21316725 | 26.01606457 | 17.82345206 | 17.82345206 | 10.4126637 | 10.4126637 | 6.096599163 | 6.096599163 | null | null | null | null | 555.8298522 | 67.33150334 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 101.4965743 | 1503.928052 | 0.598130841 | 1.102803738 | 1.626168224 | 0.692307692 | 219.0 | PEPTIDE2228{[Sar].[meF].V.[meL].T.[Mono58].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2228,PEPTIDE2228,1:R1-11:R2$$$ | PEPTIDE2228{<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/T/">T</a>.<a href="/monomers/Mono58/">[Mono58]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser... | -8.18 | 107 | 1380.931 | 2228 | null | null | 2.79e+90 | 18.54280198 | 40.85246152 | 26.8715416 | 804.9025185 | null | 18.39190401 | 0.390716754 | 18.39190401 | 0.250136774 | 2.294325081 | 0.250136774 | -8.457178874 | -0.390716754 | 3.9705 | 401.2796 | 1504.915 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 15 | 5 | 29 | 0 | 34 | 0 | 3 | 3 | 598 | pd455 | null | -9.74578219 | 3.43660163 | 75.18411214 | 54.16103222 | 5.647368313 | 72.31735641 | 5.922529168 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 115.239324 | 100.3478516 | 229.6960892 | 75.98793792 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=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]([C@@H](C)O)C(=O)N(CCN2CCC(F)(F)CC2)CC(=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)N1C | 243.5578254 | 70.88615675 | 1.431199657 | 65.33844099 | 23.57583074 | 224.0895095 | 100.3888241 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'V', 'meL', 'T', 'Mono58', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.4292999999999995, 1.1616, -0.1918000000000002, 0.8481999999999998, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 23.550000000000004, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 293.6788065 | 75.01715897 | 23.57583074 | 312.4554421 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2228 | null | 311.58 | null | 1167.161409 | 0.0 | 183.7408872 | -10.64332934 | -13.85332651 | -102.0676685 | -101.5909282 | -83.098966 | -184.1480777 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 6 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.141068247 | null |
fae7327928eb80532e3aaf360c35c8ade970851c4a38b59593d9b79b6f2d72c6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,228 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'Mono58', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 85 | 2229 | -5.3 | -5.3 | Circle | 3 | -2.44e-16 | -2.761419787 | -2.26e-16 | -2.891638648 | -6.38e-17 | -1.135778267 | 1.3e-15 | -0.249287767 | 3.083167176 | 8494.309262 | 237.0 | null | -5.3 | 178.5690667 | 166.3769335 | 49.37693346 | 94.50274715 | 83.30491895 | 25.10781628 | 17.0631417 | 17.0631417 | 10.11846327 | 10.11846327 | 5.942222919 | 5.942222919 | null | null | null | null | 536.3389568 | 67.33150334 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 93.27202292 | 1445.886187 | 0.582524272 | 1.106796117 | 1.640776699 | 0.68 | 234.0 | PEPTIDE2229{[meA].L.[meL].[meF].L.[meF].[Mono58].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2229,PEPTIDE2229,1:R1-11:R2$$$ | PEPTIDE2229{<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/Mono58/">[Mono58]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a hr... | -8.14 | 103 | 1328.899 | 2229 | null | null | 9.089999999999999e+83 | 17.93493779 | 39.65670411 | 25.32061155 | 772.2643239 | null | 18.37934997 | 0.390716757 | 18.37934997 | 0.250136774 | 2.38301247 | 0.250136774 | -8.346305422 | -0.390716757 | 3.5654 | 385.8656 | 1446.835 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 14 | 5 | 28 | 0 | 34 | 0 | 3 | 3 | 574 | pd456 | null | -8.781746958 | 3.110674083 | 70.44724918 | 54.16103222 | 5.647368313 | 72.31735641 | 5.922529168 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 115.239324 | 93.01699227 | 224.2130549 | 61.08638476 | null | -5.3 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)CN(CCN2CCC(F)(F)CC2)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 230.5964111 | 70.88615675 | 1.431199657 | 65.33844099 | 23.57583074 | 211.1575994 | 93.82983888 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'Mono58', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 0.8481999999999998, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 23.550000000000004, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 281.5187705 | 70.28029601 | 23.57583074 | 296.9000315 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2229 | null | 302.35 | null | 1103.952832 | 0.0 | 181.6704557 | -10.0673272 | -7.201441012 | -99.50388687 | -100.2071665 | -89.41834124 | -160.9751247 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 6 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.151408413 | null |
116cb6d88a9f876aba878e833287927f2fea33cdf5b4ee1b137cc908ca01298b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,229 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'Mono59', 'Ser(tBu)', 'meL', 'meL', 'meL', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | 91 | 2230 | -5.96 | -5.96 | Circle | 9 | -2.75e-16 | -2.762918018 | -2.38e-16 | -2.890515467 | -6e-17 | -1.136335676 | 1.04e-15 | -0.249287769 | 2.777811736 | 9105.826518 | 254.0 | null | -5.96 | 189.7761735 | 177.2851818 | 52.28518175 | 100.4985291 | 88.93677404 | 26.79245777 | 18.56025546 | 18.56025546 | 11.04789412 | 11.04789412 | 6.716286231 | 6.716286231 | null | null | null | null | 567.4247692 | 78.33865531 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1529.943702 | 0.605504587 | 1.091743119 | 1.614678899 | 0.7 | 217.0 | PEPTIDE2230{[dA].[Mono59].[Ser(tBu)].[meL].[meL].[meL].T.[meF].F.[meL].[Asp_piperidide]}$PEPTIDE2230,PEPTIDE2230,1:R1-11:R2$$$ | PEPTIDE2230{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/Mono59/">[Mono59]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F... | -8.18 | 109 | 1404.953 | 2230 | null | null | 3.1700000000000004e+95 | 18.8553653 | 40.14771797 | 25.42586308 | 819.2845977 | null | 18.46007749 | 0.390716755 | 18.46007749 | 0.250137177 | 2.347261886 | 0.250137177 | -8.663621684 | -0.390716755 | 4.5478 | 408.3233 | 1530.953 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 15 | 6 | 29 | 0 | 33 | 0 | 4 | 4 | 608 | pd457 | null | -10.23340518 | 2.886297784 | 70.69410603 | 66.19681715 | 7.059210392 | 72.31735641 | 5.922529168 | 0.0 | 62.43435594 | 8.780830095 | 0.0 | 0.0 | 115.239324 | 119.9455935 | 226.3535707 | 60.25270144 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C)C(=O)N2C[C@H](N3CCC(F)(F)CC3)C[C@H]2C(=O)N[C@@H](COC(C)(C)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](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C | 246.340426 | 70.88615675 | 1.431199657 | 65.74834461 | 23.57583074 | 261.7409289 | 73.92241817 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'Mono59', 'Ser(tBu)', 'meL', 'meL', 'meL', 'T', 'meF', 'F', 'meL', 'Asp_piperidide'] | [-0.2068000000000003, 0.9891, 0.5883999999999996, 1.1616, 1.1616, 1.1616, -0.1918000000000002, 1.3581999999999996, 1.0159999999999998, 1.1616, 0.1758999999999995] | [29.1, 23.55, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 49.41] | 26.54906677 | 8.780830095 | 0.0 | 0.0 | 280.3661682 | 75.01715897 | 23.57583074 | 333.4239426 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2230 | null | 320.37 | null | 1195.49656 | 0.0 | 188.7610558 | -13.69489807 | -13.79912271 | -102.6166382 | -125.1264985 | -98.94157794 | -162.0788802 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 5 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.126607017 | null |
d84c88c6796000d2e882ab2dd101cc2ce6fe6426102c7da05779b664612f4008 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,230 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono59', 'Me_Phe(3-Cl)', 'V', 'meV', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 101 | 2231 | -5.92 | -5.92 | Circle | 9 | -3.1e-16 | -2.763479885 | -2.15e-16 | -2.890756294 | 7.17e-17 | -1.135200389 | 1.47e-15 | -0.249287763 | 2.75962259 | 8860.92684 | 233.0 | null | -5.92 | 184.7761735 | 171.6631462 | 52.41907517 | 97.95985393 | 86.15214948 | 26.83301128 | 18.4860411 | 18.86400557 | 11.12380115 | 11.31278339 | 6.710234756 | 6.851971434 | null | null | null | null | 553.8521324 | 79.66833035 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 96.64841147 | 1535.87343 | 0.666666667 | 1.268518519 | 1.87962963 | 0.692307692 | 253.0 | PEPTIDE2231{[Mono59].[Me_Phe(3-Cl)].V.[meV].T.[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2231,PEPTIDE2231,1:R1-11:R2$$$ | PEPTIDE2231{<a href="/monomers/Mono59/">[Mono59]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a hre... | -7.89 | 108 | 1416.384 | 2231 | null | null | 2.8800000000000004e+93 | 19.40541066 | 39.14556629 | 24.05701309 | 809.9850421 | null | 18.50756637 | 0.390716756 | 18.50756637 | 0.250137177 | 2.279391472 | 0.250137177 | -8.459400456 | -0.390716756 | 4.3747 | 404.1316 | 1537.344 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 15 | 5 | 30 | 0 | 31 | 0 | 4 | 4 | 602 | pd458 | null | -10.40872873 | 3.642621416 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 5.922529168 | 0.0 | 62.43435594 | 8.780830095 | 0.0 | 0.0 | 108.7130078 | 112.432689 | 232.8689967 | 66.74956113 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 6 | 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)N2C[C@H](N3CCC(F)(F)CC3)C[C@H]2C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 239.4455497 | 82.48709664 | 1.431199657 | 65.33844099 | 23.57583074 | 236.1252945 | 87.39510475 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['Mono59', 'Me_Phe(3-Cl)', 'V', 'meV', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.9891, 2.0116, 0.4292999999999995, 0.7715000000000001, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [23.55, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 11.60093989 | 292.7208721 | 75.01715897 | 23.57583074 | 308.3431665 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2231 | null | 311.58 | null | 1148.455861 | 6.133904152 | 185.2156227 | -12.89977698 | -13.85704422 | -101.9739555 | -114.1472117 | -83.85870077 | -168.4575877 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 6 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.16535131 | null |
d06c4994f55d85ebd343b15b8f8c88bbe488567ce70062ef65245b4487f7df9b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,231 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dAbu', 'meL', 'Ser(tBu)', 'meL', 'L', 'meL', 'T', 'Mono59', 'F', 'meL', 'Asp_piperidide'] | 91 | 2232 | -5.8 | -5.8 | Circle | 6 | -3.58e-16 | -2.762958676 | -2.96e-16 | -2.891043938 | -1.1e-16 | -1.135998583 | 5.14e-16 | -0.249287769 | 3.199526578 | 8797.12549 | 266.0 | null | -5.8 | 189.8120719 | 177.7851818 | 50.78518175 | 99.61177772 | 88.91038084 | 25.81885098 | 17.83664866 | 17.83664866 | 10.45294718 | 10.45294718 | 6.356479976 | 6.356479976 | null | null | null | null | 551.0539677 | 75.63822172 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 98.75505715 | 1495.959352 | 0.622641509 | 1.103773585 | 1.603773585 | 0.766233766 | 271.0 | PEPTIDE2232{[dAbu].[meL].[Ser(tBu)].[meL].L.[meL].T.[Mono59].F.[meL].[Asp_piperidide]}$PEPTIDE2232,PEPTIDE2232,1:R1-11:R2$$$ | PEPTIDE2232{<a href="/monomers/dAbu/">[dAbu]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Mono59/">[Mono59]</a>.<a href="/monomers/F/"... | -7.4 | 106 | 1368.92 | 2232 | null | null | 2.34e+95 | 17.81692627 | 40.15634038 | 25.90773926 | 805.980356 | null | 18.25102713 | 0.390716753 | 18.25102713 | 0.250137177 | 2.404903212 | 0.250137177 | -8.510370651 | -0.390716753 | 4.3991 | 397.622 | 1496.936 | Circle | 11 | 11 | null | 7 | 27 | null | null | 0 | 4 | 4 | 1 | 0 | 1 | 15 | 7 | 29 | 0 | 35 | 0 | 4 | 4 | 598 | pd459 | null | -10.62585366 | 1.501185881 | 71.10400965 | 66.19681715 | 8.47105247 | 72.31735641 | 5.922529168 | 0.0 | 62.43435594 | 8.780830095 | 0.0 | 0.0 | 105.5829068 | 126.1700574 | 221.2293703 | 53.39890866 | null | -5.8 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H]1NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](N3CCC(F)(F)CC3)CN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)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)C1=O | 249.1230267 | 70.88615675 | 1.431199657 | 66.15824824 | 29.46978843 | 281.817638 | 66.94659127 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['dAbu', 'meL', 'Ser(tBu)', 'meL', 'L', 'meL', 'T', 'Mono59', 'F', 'meL', 'Asp_piperidide'] | [0.1833, 1.1616, 0.5883999999999996, 1.1616, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.9891, 1.0159999999999998, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 29.1, 20.31, 38.33, 23.55, 29.1, 20.31, 49.41] | 31.85888012 | 8.780830095 | 0.0 | 0.0 | 268.4904316 | 68.64423406 | 29.46978843 | 355.6808837 | 30.21209354 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2232 | null | 329.16 | null | 1206.087098 | 0.0 | 191.1586741 | -17.96098523 | -10.36474395 | -110.3282205 | -112.4291561 | -107.1912473 | -167.221419 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 4 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.107144795 | null |
ec83a243081335fde1352ec012760faba3481ad17936d6b911bacd08d3c243e2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,232 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['V', 'G', 'meL', 'meL', 'meL', 'meF', 'T', 'meF', 'meL', 'Mono59', 'Asp_piperidide'] | 85 | 2233 | -5.92 | -5.92 | Circle | 9 | -3.36e-16 | -2.763643901 | -2.06e-16 | -2.883998324 | 1.21e-17 | -1.136340668 | 1.61e-15 | -0.249287769 | 2.751696513 | 8855.205022 | 219.0 | null | -5.92 | 184.0690667 | 171.8769335 | 50.87693346 | 97.50274715 | 86.30491895 | 26.10781628 | 18.0367485 | 18.0367485 | 11.034413 | 11.034413 | 6.709809091 | 6.709809091 | null | null | null | null | 554.4997971 | 79.66833035 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 86.41823014 | 1485.917487 | 0.575471698 | 1.047169811 | 1.528301887 | 0.692307692 | 212.0 | PEPTIDE2233{V.G.[meL].[meL].[meL].[meF].T.[meF].[meL].[Mono59].[Asp_piperidide]}$PEPTIDE2233,PEPTIDE2233,1:R1-11:R2$$$ | PEPTIDE2233{<a href="/monomers/V/">V</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/m... | -8.14 | 106 | 1364.932 | 2233 | null | null | 3.8299999999999997e+92 | 18.32066114 | 39.10849534 | 23.19099277 | 795.9732011 | null | 18.6889707 | 0.390716755 | 18.6889707 | 0.250137177 | 2.393046283 | 0.250137177 | -8.520610131 | -0.390716755 | 4.3424 | 397.4886 | 1486.9 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 14 | 5 | 28 | 0 | 34 | 0 | 4 | 4 | 590 | pd460 | null | -9.43630902 | 2.854492847 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 5.922529168 | 0.0 | 62.43435594 | 8.780830095 | 0.0 | 0.0 | 128.9431082 | 98.43198274 | 230.5878805 | 53.21876652 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@H]1C(=O)N(C)[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]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2C[C@H](N3CCC(F)(F)CC3)C[C@H]2C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C | 236.0794453 | 70.88615675 | 1.431199657 | 65.33844099 | 29.46978843 | 236.4182014 | 80.83611951 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['V', 'G', 'meL', 'meL', 'meL', 'meF', 'T', 'meF', 'meL', 'Mono59', 'Asp_piperidide'] | [0.4292999999999995, -0.5953000000000002, 1.1616, 1.1616, 1.1616, 1.3581999999999996, -0.1918000000000002, 1.3581999999999996, 1.1616, 0.9891, 0.1758999999999995] | [29.1, 29.1, 20.31, 20.31, 20.31, 20.31, 38.33, 20.31, 20.31, 23.55, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 280.560836 | 70.28029601 | 29.46978843 | 315.6078827 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2233 | null | 302.35 | null | 1155.468287 | 0.0 | 184.2898148 | -9.742918466 | -7.224120311 | -108.7066379 | -117.7375422 | -99.07996331 | -155.2669194 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 6 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.156291064 | null |
e49300559762c17a6a524e64be9ea7a53c662f4133392c22021abeb6b9d1ae46 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,233 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono60', 'Me_Phe(3-Cl)', 'V', 'meV', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 101 | 2234 | -5.85 | -5.85 | Circle | 4 | -3.1e-16 | -2.763479885 | -2.15e-16 | -2.890756294 | 7.17e-17 | -1.135200389 | 1.47e-15 | -0.249287763 | 2.75962259 | 8860.92684 | 229.0 | null | -5.85 | 184.7761735 | 171.6631462 | 52.41907517 | 97.95985393 | 86.15214948 | 26.83301128 | 18.4860411 | 18.86400557 | 11.12380115 | 11.31278339 | 6.710234756 | 6.851971434 | null | null | null | null | 553.8521324 | 79.66833035 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 96.64841147 | 1535.87343 | 0.666666667 | 1.268518519 | 1.87962963 | 0.692307692 | 230.0 | PEPTIDE2234{[Mono60].[Me_Phe(3-Cl)].V.[meV].T.[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2234,PEPTIDE2234,1:R1-11:R2$$$ | PEPTIDE2234{<a href="/monomers/Mono60/">[Mono60]</a>.<a href="/monomers/Me_Phe(3-Cl)/">[Me_Phe(3-Cl)]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a hre... | -7.89 | 108 | 1416.384 | 2234 | null | null | 2.8800000000000004e+93 | 19.40541066 | 39.14556629 | 24.05701309 | 809.9850421 | null | 18.50756637 | 0.390716756 | 18.50756637 | 0.250137177 | 2.279391472 | 0.250137177 | -8.459400456 | -0.390716756 | 4.3747 | 404.1316 | 1537.344 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 4 | 4 | 2 | 0 | 2 | 15 | 5 | 30 | 0 | 31 | 0 | 4 | 4 | 602 | pd461 | null | -10.40872873 | 3.642621416 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 5.922529168 | 0.0 | 62.43435594 | 8.780830095 | 0.0 | 0.0 | 108.7130078 | 112.432689 | 232.8689967 | 66.74956113 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 6 | 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)N2C[C@@H](N3CCC(F)(F)CC3)C[C@H]2C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 239.4455497 | 82.48709664 | 1.431199657 | 65.33844099 | 23.57583074 | 236.1252945 | 87.39510475 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['Mono60', 'Me_Phe(3-Cl)', 'V', 'meV', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.9891, 2.0116, 0.4292999999999995, 0.7715000000000001, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [23.55, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 11.60093989 | 292.7208721 | 75.01715897 | 23.57583074 | 308.3431665 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2234 | null | 311.58 | null | 1148.455861 | 6.133904152 | 185.2156227 | -12.89977698 | -13.85704422 | -101.9739555 | -114.1472117 | -83.85870077 | -168.4575877 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 6 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.16535131 | null |
c9377f4fba4c4ab71133c75f58f7787f8f26b4f68bd37d56ab9c38e866b94f95 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,235 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'L', 'meL', 'meF', 'F', 'meV', 'meL', 'Gln(Me)', 'Sar', 'meL', 'Asp_piperidide'] | 88 | 2236 | -5.92 | -5.92 | Circle | 2 | -3.76e-16 | -2.758601439 | -3.12e-16 | -2.880896162 | -1.88e-16 | -1.136014793 | 4.78e-16 | -0.249287769 | 3.777633975 | 8690.663067 | 240.0 | null | -5.92 | 183.9393102 | 172.6210045 | 49.62100452 | 96.89144572 | 86.24231299 | 25.00624501 | 16.90576008 | 16.90576008 | 10.06870868 | 10.06870868 | 5.995546935 | 5.995546935 | null | null | null | null | 550.0033653 | 78.97983331 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 94.6234239 | 1437.936331 | 0.514563107 | 0.970873786 | 1.495145631 | 0.675324675 | 234.0 | PEPTIDE2236{[meL].L.[meL].[meF].F.[meV].[meL].[Gln(Me)].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2236,PEPTIDE2236,1:R1-11:R2$$$ | PEPTIDE2236{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Gln(Me)/">[Gln(Me)]</a>.<a href="/monomers/Sar/">[Sar]</... | -8.45 | 103 | 1314.925 | 2236 | null | null | 1.72e+89 | 17.01120165 | 41.14688439 | 25.73479913 | 785.2274947 | null | 18.44137987 | 0.359178035 | 18.44137987 | 0.245552547 | 2.244376225 | 0.245552547 | -8.453022183 | -0.359178035 | 4.6603 | 395.4615 | 1438.909 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 26 | 0 | 39 | 0 | 2 | 2 | 574 | pd463 | null | -7.748506646 | 2.945559958 | 65.74834461 | 60.17892468 | 7.059210392 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 142.6468925 | 103.8469732 | 219.5119307 | 43.02647282 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 4 | CNC(=O)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](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 231.1377034 | 76.79333648 | 0.0 | 65.74834461 | 35.36374611 | 225.2496538 | 75.29719426 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meL', 'L', 'meL', 'meF', 'F', 'meV', 'meL', 'Gln(Me)', 'Sar', 'meL', 'Asp_piperidide'] | [1.1616, 0.8193999999999995, 1.1616, 1.3581999999999996, 1.0159999999999998, 0.7715000000000001, 1.1616, -0.7005000000000001, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 58.2, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4687333 | 75.0748332 | 35.36374611 | 325.2012919 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2236 | null | 307.98 | null | 1129.907748 | 0.0 | 201.9841779 | -16.453212 | -7.100313088 | -113.7684428 | -110.0788036 | -92.79078114 | -153.033707 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.128033241 | null |
10f6e35a2d70d20c8e2cf0a44355ba6d961620b042b6948ebeb91a268e046b30 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,236 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'meL', 'Gln(Me)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 94 | 2237 | -5.96 | -5.96 | Circle | 7 | -3.11e-16 | -2.758031417 | -2.75e-16 | -2.884548812 | -1.06e-16 | -1.135764358 | 9.25e-16 | -0.249287767 | 3.778632345 | 8817.734965 | 260.0 | null | -5.96 | 187.146417 | 175.5292528 | 50.52925281 | 98.63722763 | 87.62416808 | 25.4408865 | 17.19246364 | 17.19246364 | 9.919355359 | 9.919355359 | 5.892398903 | 5.892398903 | null | null | null | null | 556.5554125 | 79.70941387 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 91.88190679 | 1467.946896 | 0.552380952 | 0.99047619 | 1.495238095 | 0.679487179 | 263.0 | PEPTIDE2237{[dL].[meF].L.[meL].[Gln(Me)].[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2237,PEPTIDE2237,1:R1-11:R2$$$ | PEPTIDE2237{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Gln(Me)/">[Gln(Me)]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.49 | 105 | 1342.935 | 2237 | null | null | 2.37e+90 | 17.46620793 | 42.00622857 | 28.06314943 | 799.3640082 | null | 18.41423637 | 0.373172999 | 18.41423637 | 0.247492366 | 2.256934922 | 0.247492366 | -8.376066577 | -0.373172999 | 4.4772 | 401.7012 | 1468.935 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 27 | 0 | 37 | 0 | 2 | 2 | 586 | pd464 | null | -8.282070255 | 3.104694166 | 70.89511119 | 60.17892468 | 8.47105247 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 128.9431082 | 118.5086919 | 211.1653452 | 57.92802599 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CNC(=O)CC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 238.657167 | 76.79333648 | 0.0 | 66.15824824 | 29.46978843 | 237.7025967 | 74.8803526 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'L', 'meL', 'Gln(Me)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.7005000000000001, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 58.2, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 251.7530327 | 79.81169615 | 29.46978843 | 333.4239426 | 60.42418708 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2237 | null | 326.0 | null | 1149.679518 | 0.0 | 205.4119659 | -20.13781193 | -13.93702764 | -106.0222495 | -110.3718829 | -92.78271061 | -158.4231347 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.106566483 | null |
ab56564135c56695719b1a79f46561fce28da06921716fcc21bb688fd0612c39 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,237 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'L', 'meL', 'Me_Tza', 'L', 'meF', 'meI', 'Gln(Me)', 'Bu_Gly', 'meL', 'Asp_piperidide'] | 94 | 2238 | -5.96 | -5.96 | Circle | 7 | -3.38e-16 | -2.758666201 | -3.04e-16 | -2.882432698 | -7.07e-17 | -1.136007852 | 5.68e-16 | -0.249291435 | 3.867986722 | 9004.397914 | 215.0 | null | -5.96 | 190.621473 | 178.9764664 | 51.79296298 | 100.1257214 | 89.34777487 | 26.42820348 | 17.14838491 | 17.73920739 | 10.26811158 | 10.74609701 | 6.114486332 | 6.490409683 | null | null | null | null | 567.5929391 | 85.15136457 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 90.51114823 | 1500.950601 | 0.613207547 | 1.150943396 | 1.698113208 | 0.717948718 | 223.0 | PEPTIDE2238{[meL].L.[meL].[Me_Tza].L.[meF].[meI].[Gln(Me)].[Bu_Gly].[meL].[Asp_piperidide]}$PEPTIDE2238,PEPTIDE2238,1:R1-11:R2$$$ | PEPTIDE2238{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Tza/">[Me_Tza]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/Gln(Me)/">[Gln(Me)]</a>.<a href="/monomers/Bu_Gly/... | -8.04 | 106 | 1373.01 | 2238 | null | null | 1.19e+93 | 17.56769396 | 43.68617352 | 26.71896815 | 814.5721269 | null | 18.53925524 | 0.359178035 | 18.53925524 | 0.245641643 | 1.215873936 | 0.245641643 | -8.519994408 | -0.359178035 | 5.6772 | 409.6015 | 1502.034 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 15 | 5 | 28 | 0 | 43 | 0 | 2 | 2 | 594 | pd465 | null | -8.144518172 | 3.484720163 | 65.74834461 | 60.17892468 | 7.059210392 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 4.983978521 | 0.0 | 11.33678588 | 132.0325409 | 104.6564466 | 235.3551463 | 50.09471606 | null | -5.96 | null | null | null | null | null | null | null | null | null | 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)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2cscn2)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](CCC(=O)NC)C1=O | 237.9914962 | 88.13012236 | 0.0 | 70.73232313 | 35.36374611 | 251.2203206 | 74.81822704 | 52.31217835 | 0 | 0.0 | null | null | null | null | ['meL', 'L', 'meL', 'Me_Tza', 'L', 'meF', 'meI', 'Gln(Me)', 'Bu_Gly', 'meL', 'Asp_piperidide'] | [1.1616, 0.8193999999999995, 1.1616, 0.8146999999999995, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.7005000000000001, 0.9172, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 33.2, 29.1, 20.31, 20.31, 58.2, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.33678588 | 255.9737446 | 75.0748332 | 35.36374611 | 358.156228 | 41.05479886 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2238 | null | 320.87 | null | 1181.604029 | -1.215873936 | 207.0250411 | -19.74239258 | -9.293128068 | -116.0274293 | -97.77060351 | -114.6309026 | -161.4487402 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 9 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.08947324 | null |
d9a5a2b538f30683520883fb78a74524fde142aad64adcc0d54b8fdee6d131a0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,238 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'L', 'meL', 'Mono61', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meA', 'Asp_piperidide'] | 93 | 2239 | -5.96 | -5.96 | Circle | 1 | -3.1e-16 | -2.75670673 | -2.69e-16 | -2.887846573 | -6.91e-17 | -1.138571665 | 1.09e-15 | -0.249291477 | 3.585918414 | 8193.052414 | 236.0 | null | -5.96 | 174.6988233 | 163.5820392 | 47.58203921 | 92.38250366 | 81.63798918 | 23.99367291 | 16.22963183 | 16.22963183 | 9.496779598 | 9.496779598 | 5.5378854 | 5.5378854 | null | null | null | null | 519.4298782 | 55.03575986 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 104.2380914 | 1384.873396 | 0.636363636 | 1.191919192 | 1.757575758 | 0.671232877 | 236.0 | PEPTIDE2239{[dA].[meF].L.[meL].[Mono61].[Sar].[meL].[Ser(tBu)].[meF].[meA].[Asp_piperidide]}$PEPTIDE2239,PEPTIDE2239,1:R1-11:R2$$$ | PEPTIDE2239{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono61/">[Mono61]</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... | -8.0 | 99 | 1268.873 | 2239 | null | null | 2.47e+83 | 16.71428571 | 39.11604938 | 25.29249528 | 750.0060262 | null | 17.88111036 | 0.390426471 | 17.88111036 | 0.247560177 | 2.248625575 | 0.247560177 | -8.210383511 | -0.390426471 | 3.4497 | 376.3703 | 1385.801 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 33 | 0 | 2 | 2 | 552 | pd466 | null | -6.899074918 | 3.549623767 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.1332817 | 107.6787109 | 184.1090078 | 65.37880257 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CCCC[C@@H](O)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 225.2227689 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 230.5577977 | 67.9045257 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'meF', 'L', 'meL', 'Mono61', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meA', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 0.8193999999999995, 1.1616, 0.3243999999999998, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.1353999999999999, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 49.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 75.01715897 | 17.68187306 | 307.8622986 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2239 | null | 317.13 | null | 1056.694411 | 0.0 | 186.7144181 | -13.02982697 | -13.36120131 | -84.29486188 | -105.1244765 | -87.96479982 | -143.383663 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.13226952 | null |
582007440ed18161ddf6197d9cf24a226247fc47240f8b1917dd880f3deff01f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,239 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'A', 'meL', 'Mono61', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meA', 'Asp_piperidide'] | 93 | 2240 | -5.85 | -5.85 | Circle | 3 | -2.96e-16 | -2.756977703 | -2.86e-16 | -2.887110731 | -6.14e-17 | -1.138572065 | 1.05e-15 | -0.249291301 | 3.558961768 | 8069.933929 | 246.0 | null | -5.85 | 172.1988233 | 161.0820392 | 47.08203921 | 91.13250366 | 80.38798918 | 23.74367291 | 16.10463183 | 16.10463183 | 9.490181297 | 9.490181297 | 5.500900918 | 5.500900918 | null | null | null | null | 513.0569533 | 52.29424275 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 104.2380914 | 1370.857746 | 0.653061224 | 1.244897959 | 1.806122449 | 0.666666667 | 258.0 | PEPTIDE2240{[dV].[meF].A.[meL].[Mono61].[Sar].[meL].[Ser(tBu)].[meF].[meA].[Asp_piperidide]}$PEPTIDE2240,PEPTIDE2240,1:R1-11:R2$$$ | PEPTIDE2240{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono61/">[Mono61]</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... | -8.0 | 98 | 1256.862 | 2240 | null | null | 6.74e+81 | 16.63726108 | 38.38360437 | 24.17157788 | 740.8311431 | null | 17.8871491 | 0.390426471 | 17.8871491 | 0.247560177 | 2.220818422 | 0.247560177 | -8.054418018 | -0.390426471 | 3.0596 | 371.7533 | 1371.774 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 32 | 0 | 2 | 2 | 546 | pd467 | null | -6.543223094 | 3.515136001 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.1332817 | 101.305786 | 181.3674907 | 65.37880257 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 4 | CCCC[C@@H](O)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 222.4812518 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 224.1848728 | 67.9045257 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'A', 'meL', 'Mono61', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meA', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, -0.2068000000000003, 1.1616, 0.3243999999999998, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.1353999999999999, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 49.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 75.01715897 | 17.68187306 | 298.7478566 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2240 | null | 317.13 | null | 1036.713052 | 0.0 | 186.3303906 | -12.89807363 | -13.3226763 | -83.97220198 | -104.484813 | -80.12179195 | -143.2438855 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.140844183 | null |
ff4862fd2aa847c921bd43058ec18c4e4ee7bf740d886459e905daeab4883ab3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,240 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'I', 'meF', 'meF', 'Mono61', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | 89 | 2241 | -6.0 | -6 | Circle | 9 | -2.72e-16 | -2.758201792 | -2.98e-16 | -2.897202822 | -1.73e-16 | -1.13859081 | 7.91e-16 | -0.249291478 | 3.660817702 | 8605.704215 | 234.0 | null | -6.0 | 182.1988233 | 171.0820392 | 49.08203921 | 96.19738192 | 85.36850652 | 24.76315556 | 16.64705241 | 16.64705241 | 10.11590008 | 10.11590008 | 5.867754599 | 5.867754599 | null | null | null | null | 538.0766237 | 75.55605468 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 91.96170547 | 1426.920347 | 0.558823529 | 1.078431373 | 1.607843137 | 0.684210526 | 231.0 | PEPTIDE2241{[Mono6].[meL].I.[meF].[meF].[Mono61].[meL].T.[meA].[meL].[Asp_piperidide]}$PEPTIDE2241,PEPTIDE2241,1:R1-11:R2$$$ | PEPTIDE2241{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono61/">[Mono61]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]... | -8.0 | 102 | 1304.906 | 2241 | null | null | 2.53e+87 | 16.95139801 | 41.33333333 | 24.59491219 | 777.4499492 | null | 18.45978052 | 0.390716755 | 18.45978052 | 0.247774412 | 2.367561111 | 0.247774412 | -8.319090944 | -0.390716755 | 4.164 | 389.9884 | 1427.882 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 38 | 0 | 2 | 2 | 570 | pd468 | null | -8.220930344 | 4.256766993 | 70.65614764 | 60.17892468 | 5.647368313 | 73.74855607 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 141.2099908 | 99.38991717 | 216.2914463 | 48.68964919 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CCCC[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 232.4074234 | 70.88615675 | 2.862399314 | 60.43853126 | 23.57583074 | 243.3036475 | 68.32136735 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'I', 'meF', 'meF', 'Mono61', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.8193999999999999, 1.3581999999999996, 1.3581999999999996, 0.3243999999999998, 1.1616, -0.1918000000000002, 0.1353999999999999, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.8257784 | 70.28029601 | 23.57583074 | 328.3537325 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2241 | null | 319.34 | null | 1115.738039 | 0.0 | 185.3895432 | -6.51611278 | -7.1187501 | -93.21609827 | -108.3376814 | -118.0342303 | -137.9047093 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.122157427 | null |
e6fd8a0ee21a0a4f7a1d6e1453a78731e25c0600ac271cddc499032c60a3ff5c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,241 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'V', 'meL', 'meF', 'A', 'meF', 'meL', 'Mono61', 'Sar', 'meL', 'Asp_piperidide'] | 87 | 2242 | -5.6 | -5.6 | Circle | 7 | -2.86e-16 | -2.757958787 | -2.55e-16 | -2.884080801 | -8e-17 | -1.138575069 | 6.72e-16 | -0.249291473 | 3.58851034 | 8067.395511 | 216.0 | null | -5.6 | 171.4917165 | 160.6737909 | 46.67379092 | 90.63672175 | 80.25613409 | 23.55903142 | 15.94292826 | 15.94292826 | 9.646132914 | 9.646132914 | 5.613082582 | 5.613082582 | null | null | null | null | 512.877831 | 56.36543489 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 100.1258157 | 1354.862832 | 0.577319588 | 1.103092784 | 1.649484536 | 0.666666667 | 208.0 | PEPTIDE2242{[meA].V.[meL].[meF].A.[meF].[meL].[Mono61].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2242,PEPTIDE2242,1:R1-11:R2$$$ | PEPTIDE2242{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Mono61/">[Mono61]</a>.<a href="/monomers/Sar/">[Sar]</a>... | -7.96 | 97 | 1240.863 | 2242 | null | null | 8.81e+80 | 16.25706479 | 38.25663499 | 23.08104627 | 735.8695127 | null | 18.02519358 | 0.390426471 | 18.02519358 | 0.247560177 | 2.259859969 | 0.247560177 | -8.135981859 | -0.390426471 | 3.6328 | 370.1306 | 1355.775 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 35 | 0 | 2 | 2 | 540 | pd469 | null | -6.404745983 | 3.405906456 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 134.8370659 | 93.01699227 | 192.4555933 | 50.4772494 | null | -5.6 | null | null | null | null | null | null | null | null | null | null | 4 | CCCC[C@@H](O)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 217.7033053 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 218.1048548 | 68.32136735 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'V', 'meL', 'meF', 'A', 'meF', 'meL', 'Mono61', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.4292999999999995, 1.1616, 1.3581999999999996, -0.2068000000000003, 1.3581999999999996, 1.1616, 0.3243999999999998, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 49.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 70.28029601 | 23.57583074 | 299.6396479 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2242 | null | 299.11 | null | 1036.80314 | 0.0 | 183.728115 | -9.670220988 | -6.812257732 | -91.52978254 | -105.3083281 | -88.22082601 | -137.4898391 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.160690128 | null |
69f1ff6459c2e5e709a42dd08c66144d1da2ec13acbea51c1491482166515d36 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,242 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'Lys(Ac)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 94 | 2243 | -5.68 | -5.68 | Circle | 8 | -3.35e-16 | -2.757844136 | -2.96e-16 | -2.888270387 | -1.8e-16 | -1.135765684 | 8.73e-16 | -0.249287767 | 3.754637282 | 8817.734965 | 234.0 | null | -5.68 | 187.146417 | 175.5292528 | 50.52925281 | 98.63722763 | 87.62416808 | 25.4408865 | 17.17926704 | 17.17926704 | 9.973529421 | 9.973529421 | 5.902887894 | 5.902887894 | null | null | null | null | 556.5554125 | 76.27939972 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 100.1064581 | 1467.946896 | 0.59047619 | 1.123809524 | 1.685714286 | 0.679487179 | 223.0 | PEPTIDE2243{[dV].[meF].L.[meL].[Lys(Ac)].[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2243,PEPTIDE2243,1:R1-11:R2$$$ | PEPTIDE2243{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Lys(Ac)/">[Lys(Ac)]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.49 | 105 | 1342.935 | 2243 | null | null | 1.01e+91 | 17.46620793 | 42.00622857 | 27.7406057 | 799.3640082 | null | 18.3053084 | 0.373172999 | 18.3053084 | 0.247492366 | 2.26864986 | 0.247492366 | -8.356118291 | -0.373172999 | 4.4772 | 401.7012 | 1468.935 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 27 | 0 | 37 | 0 | 2 | 2 | 586 | pd470 | null | -8.182860765 | 2.994023847 | 70.89511119 | 60.17892468 | 8.47105247 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 128.9431082 | 118.5086919 | 211.1653452 | 57.92802599 | null | -5.68 | null | null | null | null | null | null | null | null | null | null | 4 | CC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 238.657167 | 76.79333648 | 0.0 | 66.15824824 | 29.46978843 | 238.181564 | 74.40138538 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'meL', 'Lys(Ac)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, 0.0796999999999995, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 58.2, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 251.2740655 | 79.81169615 | 29.46978843 | 333.9029098 | 60.42418708 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2243 | null | 326.0 | null | 1149.466572 | 0.0 | 203.9966403 | -20.065433 | -13.8655597 | -106.004098 | -109.8933079 | -84.51443546 | -165.7037119 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.099688721 | null |
b13189a6bc149865d5442c763e5dd0868eede9c5046c4c9722105a7415945836 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,243 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'meL', 'Lys(Ac)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 94 | 2244 | -5.68 | -5.68 | Circle | 9 | -3.47e-16 | -2.757864123 | -3.15e-16 | -2.886863144 | -2.33e-16 | -1.135768316 | 8.65e-16 | -0.249287767 | 3.783980884 | 8942.17566 | 236.0 | null | -5.68 | 189.646417 | 178.0292528 | 51.02925281 | 99.88722763 | 88.87416808 | 25.6908865 | 17.30426704 | 17.30426704 | 9.980127722 | 9.980127722 | 5.939872376 | 5.939872376 | null | null | null | null | 562.9283374 | 84.50395105 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 94.6234239 | 1481.962546 | 0.575471698 | 1.075471698 | 1.613207547 | 0.683544304 | 230.0 | PEPTIDE2244{[dL].[meF].L.[meL].[Lys(Ac)].[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2244,PEPTIDE2244,1:R1-11:R2$$$ | PEPTIDE2244{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Lys(Ac)/">[Lys(Ac)]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.49 | 106 | 1354.946 | 2244 | null | null | 2.53e+91 | 17.54659317 | 42.74700351 | 28.33709668 | 808.5388913 | null | 18.34410545 | 0.373172999 | 18.34410545 | 0.247492366 | 2.277799977 | 0.247492366 | -8.38600913 | -0.373172999 | 4.8673 | 406.3182 | 1482.962 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 27 | 0 | 38 | 0 | 2 | 2 | 592 | pd471 | null | -8.497520336 | 3.099138779 | 70.89511119 | 60.17892468 | 8.47105247 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 128.9431082 | 124.8816168 | 213.9068623 | 57.92802599 | null | -5.68 | null | null | null | null | null | null | null | null | null | null | 4 | CC(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 241.3986841 | 76.79333648 | 0.0 | 66.15824824 | 29.46978843 | 244.5544889 | 74.40138538 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'L', 'meL', 'Lys(Ac)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, 0.0796999999999995, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 58.2, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 251.2740655 | 79.81169615 | 29.46978843 | 343.0173518 | 60.42418708 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2244 | null | 326.0 | null | 1169.268325 | 0.0 | 204.5125289 | -20.24676138 | -13.94014873 | -106.1717806 | -110.6054707 | -92.49886006 | -165.6511656 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.090945687 | null |
3080da2433da54012e84046eacfe0b79945cceb5b2f30a2c84baa5c26f8aa6d3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,245 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Phe(CHF2)', 'meL', 'meF', 'L', 'meL', 'meI', 'T', 'Sar', 'Me_Abu', 'Asp_piperidide'] | 93 | 2246 | -5.35 | -5.35 | Circle | 2 | -2.37e-16 | -2.757223437 | -1.77e-16 | -2.887414617 | 2.16e-17 | -1.135838031 | 1.7e-15 | -0.249287767 | 3.622665285 | 8092.411446 | 209.0 | null | -5.35 | 171.4917165 | 159.4297199 | 47.42971987 | 90.59804661 | 79.63409856 | 23.93699589 | 16.32833907 | 16.32833907 | 9.964985813 | 9.964985813 | 5.791426249 | 5.791426249 | null | null | null | null | 512.4274353 | 57.73619345 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 96.01354003 | 1390.843988 | 0.606060606 | 1.191919192 | 1.747474747 | 0.666666667 | 210.0 | PEPTIDE2246{[meA].[Phe(CHF2)].[meL].[meF].L.[meL].[meI].T.[Sar].[Me_Abu].[Asp_piperidide]}$PEPTIDE2246,PEPTIDE2246,1:R1-11:R2$$$ | PEPTIDE2246{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Phe(CHF2)/">[Phe(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/Sar/">[Sa... | -8.1 | 99 | 1278.859 | 2246 | null | null | 2.6499999999999997e+81 | 17.32888316 | 38.47018725 | 22.9687985 | 741.3906425 | null | 18.23910747 | 0.390716756 | 18.23910747 | 0.26334892 | 2.367389856 | 0.26334892 | -8.405587984 | -0.390716756 | 4.1803 | 370.4706 | 1391.755 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 35 | 0 | 2 | 2 | 552 | pd473 | null | -7.503251677 | 2.944258914 | 65.54733945 | 61.54968324 | 5.647368313 | 72.31735641 | 6.401496384 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 122.4217223 | 93.01699227 | 195.2775277 | 49.10649085 | null | -5.35 | null | null | null | null | null | null | null | null | null | 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(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(C(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)N1C | 223.7426183 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 218.1334263 | 68.32136735 | 71.07212284 | 0 | 0.0 | null | null | null | null | ['meA', 'Phe(CHF2)', 'meL', 'meF', 'L', 'meL', 'meI', 'T', 'Sar', 'Me_Abu', 'Asp_piperidide'] | [0.1353999999999999, 1.9536, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.1616, 1.1616, -0.1918000000000002, -0.2531000000000001, 0.5255000000000001, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 251.2057525 | 70.28029601 | 23.57583074 | 302.4901538 | 54.38176837 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2246 | null | 299.11 | null | 1050.430891 | 0.0 | 183.3124739 | -9.870193701 | -10.28088371 | -92.83861043 | -106.3028095 | -88.57631731 | -138.3745499 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.157859667 | null |
5a72c0c564866be494c6382de0b6c25d4a54f7119af22e7bc097d1cd220f0bd3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,247 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meL', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Phe(CHF2)', 'meV', 'Asp_piperidide'] | 90 | 2248 | -5.38 | -5.38 | Circle | 6 | -2.82e-16 | -2.757732377 | -1.75e-16 | -2.887629827 | -2.18e-17 | -1.135258476 | 1.44e-15 | -0.249287763 | 3.595090096 | 8076.411446 | 216.0 | null | -5.38 | 171.4917165 | 159.4297199 | 47.42971987 | 90.59804661 | 79.63409856 | 23.93699589 | 16.34153567 | 16.34153567 | 9.864651378 | 9.864651378 | 5.766169144 | 5.766169144 | null | null | null | null | 512.4274353 | 52.25315922 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 101.4965743 | 1390.843988 | 0.585858586 | 1.131313131 | 1.656565657 | 0.666666667 | 215.0 | PEPTIDE2248{[Sar].[meL].I.[meL].T.[Sar].[meF].[meL].[Phe(CHF2)].[meV].[Asp_piperidide]}$PEPTIDE2248,PEPTIDE2248,1:R1-11:R2$$$ | PEPTIDE2248{<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/Phe(CHF2)/">[Phe(CHF2... | -8.1 | 99 | 1278.859 | 2248 | null | null | 3.67e+80 | 17.32888316 | 38.47018725 | 23.50637653 | 741.3906425 | null | 17.94325915 | 0.390716756 | 17.94325915 | 0.26334892 | 2.281613794 | 0.26334892 | -8.121161424 | -0.390716756 | 4.0378 | 370.4226 | 1391.755 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 35 | 0 | 2 | 2 | 552 | pd475 | null | -7.398288926 | 3.016676006 | 65.54733945 | 55.53179077 | 5.647368313 | 72.31735641 | 6.401496384 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 129.2736144 | 85.68613294 | 193.9067691 | 56.97410909 | null | -5.38 | null | null | null | null | null | null | null | null | null | 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(C(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 | 223.7426183 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 205.7426089 | 74.81822704 | 71.07212284 | 0 | 0.0 | null | null | null | null | ['Sar', 'meL', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Phe(CHF2)', 'meV', 'Asp_piperidide'] | [-0.2531000000000001, 1.1616, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 1.9536, 0.7715000000000001, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 251.6847197 | 70.28029601 | 29.46978843 | 296.1172289 | 54.38176837 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2248 | null | 299.11 | null | 1048.726526 | 0.0 | 183.3764747 | -10.09685861 | -10.21087237 | -99.57962472 | -98.15502833 | -81.37827691 | -145.1823397 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.158830946 | null |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.