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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
c5fe1954aba1af6b8397e8b77825720faa11c08c76b37c5e75066c6493be2b3e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 936 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'Me_dV', 'Me_Bmt(E)'] | 80 | 937 | -5.36 | -5.36 | Circle | 1 | -3.72e-16 | -2.741631859 | -3.95e-16 | -2.890258212 | -2.31e-16 | -1.136047084 | 1.15e-16 | -0.249287767 | 8.516208569 | 6899.875158 | 178.0 | null | null | 161.0635132 | 151.818329 | 40.81832904 | 83.32454392 | 75.13118955 | 19.93408688 | 13.7037587 | 13.7037587 | 8.107632225 | 8.107632225 | 4.665881388 | 4.665881388 | null | null | null | null | 450.1857519 | 44.02860789 | 52.73990902 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 108.350367 | 1201.841368 | 0.564705882 | 1.082352941 | 1.588235294 | 0.790322581 | 171.0 | PEPTIDE937{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[Me_dV].[Me_Bmt(E)]}$PEPTIDE937,PEPTIDE937,1:R1-11:R2$$$ | PEPTIDE937{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href=... | -6.13 | 85 | 1090.747 | 937 | null | null | 4.96e+74 | 13.26598462 | 34.87150528 | 21.65558178 | 664.6651694 | null | 18.025327 | 0.390126486 | 18.025327 | 0.245643649 | 3.146713736 | 0.245643649 | -8.388333089 | -0.390126486 | 3.269 | 328.4446 | 1202.635 | Circle | 11 | 11 | null | 5 | 23 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 12 | 5 | 23 | 0 | 40 | 0 | 1 | 1 | 486 | CSH | -5.36 | -6.620415814 | -0.186784244 | 60.64742972 | 60.17892468 | 5.647368313 | 66.41017668 | 0.0 | 0.0 | 52.73990902 | 0.0 | 0.0 | 0.0 | 108.0306331 | 100.0509296 | 173.5698169 | 33.13825605 | null | -5.36 | null | null | null | null | null | null | null | null | null | null | 1 | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C | 208.7964925 | 64.97897702 | 1.431199657 | 55.53862153 | 41.2577038 | 220.9786581 | 55.32764799 | 12.10414349 | 0 | 0.0 | [['PAMPA', 'RRCK']] | [2357] | [['-5.68', '-5.95']] | ['2018_Naylor'] | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'Me_dV', 'Me_Bmt(E)'] | [0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54] | 21.23925341 | 0.0 | 0.0 | 0.0 | 227.4049437 | 52.73990902 | 41.2577038 | 300.0201224 | 12.10414349 | 5.647368313 | 0.0 | 0 | 2015_Ahlbach | 937 | null | 278.8 | 45.1 | 992.9384945 | 0.0 | 165.6557411 | -9.339386785 | 0.0 | -108.5974979 | -85.82308579 | -51.24993928 | -163.1676591 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11 | 11 | 0 | 0 | 0 | 7 | 4 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.147924715 | null |
f43396a1d139e014ef8616e831470b4109a07e0819199ea5e306f732ead354b4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 937 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Bmt(E)', 'Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV'] | 78 | 938 | -5.22 | -5.22 | Circle | 2 | -3.61e-16 | -2.73592907 | -3.71e-16 | -2.892598786 | -2.45e-16 | -1.13604714 | 6.97e-17 | -0.249287767 | 8.409559085 | 6899.875158 | 184.0 | null | null | 161.0635132 | 151.818329 | 40.81832904 | 83.26970237 | 75.1506722 | 19.91460423 | 13.56451889 | 13.56451889 | 7.978270994 | 7.978270994 | 4.591016252 | 4.591016252 | null | null | null | null | 450.6577811 | 45.44044996 | 52.73990902 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 106.9191674 | 1201.841368 | 0.623529412 | 1.164705882 | 1.682352941 | 0.790322581 | 182.0 | PEPTIDE938{[Me_Bmt(E)].[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV]}$PEPTIDE938,PEPTIDE938,1:R3-11:R2$$$ | PEPTIDE938{<a href="/monomers/Me_Bmt(E)/">[Me_Bmt(E)]</a>.<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]<... | -6.13 | 85 | 1090.747 | 938 | null | null | 3.8700000000000004e+73 | 13.26598462 | 35.48667389 | 22.27046091 | 664.7458958 | null | 17.83529772 | 0.458304896 | 17.83529772 | 0.328964614 | 3.002245527 | 0.328964614 | -8.304786101 | -0.458304896 | 3.5809 | 328.6075 | 1202.635 | Circle | 11 | 11 | null | 5 | 23 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 13 | 5 | 23 | 0 | 39 | 0 | 1 | 1 | 486 | Iso CSA | -5.22 | -7.314522517 | -4.263793151 | 60.68538811 | 67.67078479 | 5.647368313 | 59.07179729 | 0.0 | 5.969305288 | 47.94537184 | 4.794537184 | 0.0 | 0.0 | 108.0306331 | 107.0267565 | 166.59399 | 27.05823803 | null | -5.22 | null | null | null | null | null | null | null | null | null | null | 1 | C/C=C/C[C@@H](C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]1NC | 209.8363893 | 65.04110258 | 0.0 | 55.94852515 | 41.2577038 | 220.9786581 | 55.32764799 | 12.10414349 | 0 | 0.0 | [['PAMPA', 'RRCK']] | [2360] | [['-7.40', '-6.78']] | ['2018_Naylor'] | ['Me_Bmt(E)', 'Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV'] | [1.7328, 0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001] | [29.54, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31] | 26.54906677 | 0.0 | 0.0 | 0.0 | 216.0271517 | 57.47677198 | 41.2577038 | 300.0201224 | 12.10414349 | 7.059210392 | 0.0 | 0 | 2015_Ahlbach | 938 | null | 276.59 | 56.2 | 994.7681322 | 0.0 | 167.9700109 | -15.99039208 | 0.0 | -107.9478372 | -85.12462387 | -51.62951276 | -161.6291106 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11 | 11 | 0 | 0 | 0 | 6 | 5 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.116062073 | null |
2741923214fbcc6d238231651e21755363224525e9b1beb0fadac4c9dc14d9be | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 938 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Mono15'] | 75 | 939 | -5.48 | -5.48 | Circle | 7 | -3.39e-16 | -2.740891815 | -3.45e-16 | -2.889574024 | -2.55e-16 | -1.136047049 | 3.11e-16 | -0.249287767 | 8.678209521 | 7138.332908 | 206.0 | null | null | 165.1408635 | 155.2265773 | 42.22657733 | 85.39171083 | 76.88118955 | 20.59233517 | 14.09327825 | 14.09327825 | 8.302392001 | 8.302392001 | 4.857947419 | 4.857947419 | null | null | null | null | 463.0069493 | 54.99467634 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 100.0653746 | 1243.851933 | 0.579545455 | 1.102272727 | 1.613636364 | 0.78125 | 204.0 | PEPTIDE939{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Mono15]}$PEPTIDE939,PEPTIDE939,1:R1-11:R2$$$ | PEPTIDE939{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href=... | -6.62 | 88 | 1130.768 | 939 | null | null | 7.01e+76 | 13.91587547 | 36.14211136 | 22.45145589 | 684.599158 | null | 18.25727203 | 0.459488351 | 18.25727203 | 0.302501362 | 3.173227743 | 0.302501362 | -8.682038509 | -0.459488351 | 3.8398 | 337.9918 | 1244.672 | Circle | 11 | 11 | null | 4 | 24 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 13 | 4 | 24 | 0 | 41 | 0 | 1 | 1 | 502 | CSA Acetate | -5.48 | -7.420237959 | -2.919329105 | 60.27548448 | 66.25894271 | 5.647368313 | 64.97897702 | 0.0 | 5.969305288 | 57.53444621 | 0.0 | 0.0 | 0.0 | 108.0306331 | 100.0509296 | 184.5339847 | 27.05823803 | null | -5.48 | null | null | null | null | null | null | null | null | null | null | 1 | C/C=C/C[C@@H](C)[C@@H](OC(C)=O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 217.3313601 | 70.94828231 | 0.0 | 55.53862153 | 41.2577038 | 227.8305502 | 55.32764799 | 12.10414349 | 0 | 0.0 | null | null | null | null | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Mono15'] | [0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.6495] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 46.61000000000001] | 21.23925341 | 0.0 | 0.0 | 0.0 | 226.8342411 | 62.27130916 | 41.2577038 | 310.9842901 | 12.10414349 | 5.647368313 | 0.0 | 0 | 2015_Ahlbach | 939 | null | 284.87 | 36.6 | 1017.295759 | 0.0 | 181.4684356 | -13.36120524 | 0.0 | -114.6831219 | -87.13094977 | -52.28821649 | -170.9673684 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 4 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.126460429 | null |
20350d6ba7af5ec7b4e56b9231373d08eec4c2b1e729594ab3cfd5fbdeb20f7f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 939 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['d(N->O)Leu', 'P', 'I', 'meV', 'meA', 'Bal'] | 45 | 940 | -5.29 | -5.29 | Circle | 5 | -2.42e-16 | -2.719922802 | -1.8e-16 | -2.866502837 | -9.76e-17 | -1.13378886 | 1.2e-16 | -0.249284424 | 4.388034294 | 2955.758518 | 111.0 | null | null | 76.05795974 | 71.09380601 | 20.09380601 | 39.58872239 | 35.43430872 | 10.03988153 | 6.842277895 | 6.842277895 | 4.193903716 | 4.193903716 | 2.438799218 | 2.438799218 | null | null | null | null | 215.4312633 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 64.50781918 | 593.378849 | 1.071428571 | 1.857142857 | 2.5 | 0.8 | 110.0 | PEPTIDE940{[d(N->O)Leu].P.I.[meV].[meA].[Bal]}$PEPTIDE940,PEPTIDE940,1:R1-6:R2$$$ | PEPTIDE940{<a href="/monomers/d(N->O)Leu/">[d(N->O)Leu]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Bal/">[Bal]</a>}$PEPTIDE940,PEPTIDE940,1:R1-6:R2$$$ | -3.18 | 42 | 542.358 | 940 | null | null | 3.43e+23 | 6.731867896 | 15.33673516 | 8.439166191 | 321.542422 | null | 16.13044678 | 0.452172682 | 16.13044678 | 0.307861916 | 2.179265031 | 0.307861916 | -6.840143076 | -0.452172682 | 1.316 | 156.7104 | 593.766 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 2 | 12 | 0 | 14 | 0 | 2 | 2 | 238 | Destruxin B | -5.29 | 4.726055451 | -4.976098015 | 30.05621885 | 24.07156987 | 8.903702184 | 23.62871892 | 5.907179729 | 5.969305288 | 28.7672231 | 0.0 | 0.0 | 0.0 | 47.48427761 | 43.65253988 | 87.25874964 | 13.22671768 | null | -5.29 | null | null | null | null | null | null | null | null | null | null | 2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O | 103.4949395 | 35.50520393 | 0.0 | 25.3193559 | 17.68187306 | 109.9794572 | 26.94537317 | 0.0 | 0 | 0.0 | null | null | null | null | ['d(N->O)Leu', 'P', 'I', 'meV', 'meA', 'Bal'] | [1.2464, 0.2794999999999998, 0.8193999999999999, 0.7715000000000001, 0.1353999999999999, -0.2052] | [26.3, 20.31, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 0.0 | 0.0 | 107.3018942 | 33.50408606 | 17.68187306 | 146.9950386 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Ahlbach | 940 | null | 145.43 | 51.0 | 435.7877079 | 0.0 | 85.20459541 | -4.783955036 | 0.0 | -43.47007556 | -25.99974602 | -35.11784537 | -61.12068137 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.457445917 | null |
069d7f961381c7941c1ead0bc142631275d4fc486ae9d814e54134fef236cf61 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 940 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['d(N->O)Leu', 'P', 'V', 'meV', 'meA', 'Bal'] | 45 | 941 | -5.89 | -5.89 | Circle | 4 | -2.2e-16 | -2.709415855 | -1.77e-16 | -2.864129811 | -1.04e-16 | -1.133827743 | 3.77e-16 | -0.249263414 | 4.303633235 | 2831.960579 | 114.0 | null | null | 73.55795974 | 68.59380601 | 19.59380601 | 38.33872239 | 34.18430872 | 9.789881533 | 6.717277895 | 6.717277895 | 4.068903716 | 4.068903716 | 2.379598368 | 2.379598368 | null | null | null | null | 209.0583384 | 13.70135004 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 63.13706063 | 579.3631989 | 1.024390244 | 1.756097561 | 2.390243902 | 0.793103448 | 113.0 | PEPTIDE941{[d(N->O)Leu].P.V.[meV].[meA].[Bal]}$PEPTIDE941,PEPTIDE941,1:R1-6:R2$$$ | PEPTIDE941{<a href="/monomers/d(N->O)Leu/">[d(N->O)Leu]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Bal/">[Bal]</a>}$PEPTIDE941,PEPTIDE941,1:R1-6:R2$$$ | -3.18 | 41 | 530.347 | 941 | null | null | 1.84e+20 | 6.6481717 | 14.63297021 | 8.418601813 | 312.3675389 | null | 15.90383113 | 0.452172682 | 15.90383113 | 0.307861916 | 2.12674767 | 0.307861916 | -6.686326293 | -0.452172682 | 0.9259 | 152.0934 | 579.739 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 2 | 12 | 0 | 13 | 0 | 2 | 2 | 232 | Destruxin B2 6 | -5.89 | 5.040412539 | -5.002773779 | 30.05621885 | 24.07156987 | 8.903702184 | 23.62871892 | 5.907179729 | 5.969305288 | 28.7672231 | 0.0 | 0.0 | 0.0 | 41.1113527 | 43.65253988 | 84.51723253 | 13.22671768 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 2 | CC(C)C[C@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O | 100.7534224 | 35.50520393 | 0.0 | 25.3193559 | 17.68187306 | 103.6065323 | 26.94537317 | 0.0 | 0 | 0.0 | null | null | null | null | ['d(N->O)Leu', 'P', 'V', 'meV', 'meA', 'Bal'] | [1.2464, 0.2794999999999998, 0.4292999999999995, 0.7715000000000001, 0.1353999999999999, -0.2052] | [26.3, 20.31, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 0.0 | 0.0 | 107.3018942 | 33.50408606 | 17.68187306 | 137.8805966 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Ahlbach | 941 | null | 145.43 | 16.2 | 417.0426696 | 0.0 | 84.67569773 | -4.656742265 | 0.0 | -42.64495358 | -25.53014454 | -28.9805946 | -60.6559323 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.471384718 | null |
38ed1acbbe2d385c9ec009e86f4a0d63e81a3999ba528d5df3abd9ba2d3fe0b2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 941 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['d(N->O)Gly(allyl)', 'P', 'I', 'meV', 'meA', 'Bal'] | 52 | 942 | -6.29 | -6.29 | Circle | 3 | -1.75e-16 | -2.719796315 | -1.36e-16 | -2.866367963 | -1.33e-17 | -1.125873661 | 1.13e-15 | -0.249273729 | 4.317506898 | 2847.180944 | 110.0 | null | null | 71.71266028 | 66.59380601 | 19.59380601 | 37.69278166 | 33.18430872 | 9.789881533 | 6.592277895 | 6.592277895 | 4.131403716 | 4.131403716 | 2.382033699 | 2.382033699 | null | null | null | null | 208.4166321 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 59.02478496 | 577.3475488 | 1.219512195 | 2.024390244 | 2.682926829 | 0.724137931 | 111.0 | PEPTIDE942{[d(N->O)Gly(allyl)].P.I.[meV].[meA].[Bal]}$PEPTIDE942,PEPTIDE942,1:R1-6:R2$$$ | PEPTIDE942{<a href="/monomers/d(N->O)Gly(allyl)/">[d(N->O)Gly(allyl)]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Bal/">[Bal]</a>}$PEPTIDE942,PEPTIDE942,1:R1-6:R2$$$ | -3.44 | 41 | 530.347 | 942 | null | null | 8.77e+16 | 6.857983027 | 14.97632367 | 8.069938287 | 308.8679949 | null | 16.0368419 | 0.451845295 | 16.0368419 | 0.307873032 | 1.983441146 | 0.307873032 | -6.725486834 | -0.451845295 | 0.846 | 152.0694 | 577.723 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 2 | 12 | 0 | 12 | 0 | 2 | 2 | 230 | Destruxin A | -6.29 | 5.531854848 | -4.78066707 | 30.05621885 | 24.07156987 | 8.903702184 | 23.62871892 | 5.907179729 | 5.969305288 | 28.7672231 | 0.0 | 0.0 | 6.531038962 | 39.83256512 | 31.38565729 | 84.03636465 | 17.33899335 | null | -6.29 | null | null | null | null | null | null | null | null | null | null | 2 | C=CC[C@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O | 98.01190524 | 35.50520393 | 0.0 | 25.3193559 | 11.78791537 | 96.27567299 | 26.94537317 | 12.58311071 | 0 | 0.0 | null | null | null | null | ['d(N->O)Gly(allyl)', 'P', 'I', 'meV', 'meA', 'Bal'] | [0.7764, 0.2794999999999998, 0.8193999999999999, 0.7715000000000001, 0.1353999999999999, -0.2052] | [26.3, 20.31, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 0.0 | 0.0 | 107.3018942 | 33.50408606 | 11.78791537 | 127.8082201 | 12.58311071 | 2.823684157 | 0.0 | 0 | 2015_Ahlbach | 942 | null | 145.43 | 6.8 | 400.575305 | 0.0 | 84.46927068 | -4.585782454 | 0.0 | -36.76726758 | -28.13606737 | -33.16608569 | -52.30603928 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.363919791 | null |
3d84b4c7c033f8db697f1e3ea24cd8bb8cf79c415084b1017abcf8ba664fc164 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 943 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono16', 'P', 'I', 'meV', 'meA', 'Bal'] | 41 | 944 | -7.1 | -7.1 | Circle | 6 | -1.72e-16 | -2.71983526 | -1.06e-16 | -2.866600123 | 3.75e-18 | -1.125873679 | 1.12e-15 | -0.24927373 | 4.353699704 | 2898.139635 | 131.0 | null | null | 74.26506652 | 68.38001877 | 21.13594772 | 38.89938256 | 33.9856634 | 10.56095239 | 6.890893158 | 7.079875395 | 4.268256149 | 4.439898942 | 2.452005331 | 2.49925089 | null | null | null | null | 207.7456461 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 72.05692451 | 629.3191412 | 1.186046512 | 1.976744186 | 2.604651163 | 0.793103448 | 135.0 | PEPTIDE944{[Mono16].P.I.[meV].[meA].[Bal]}$PEPTIDE944,PEPTIDE944,1:R1-6:R2$$$ | PEPTIDE944{<a href="/monomers/Mono16/">[Mono16]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Bal/">[Bal]</a>}$PEPTIDE944,PEPTIDE944,1:R1-6:R2$$$ | -2.93 | 43 | 581.799 | 944 | null | null | 6.72e+22 | 7.709802629 | 16.22838204 | 9.038947529 | 326.1467386 | null | 16.09641284 | 0.452075302 | 16.09641284 | 0.307863416 | 2.101175462 | 0.307863416 | -6.793313416 | -0.452075302 | 0.2597 | 158.5992 | 630.183 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 3 | 14 | 0 | 14 | 0 | 2 | 2 | 244 | Destruxin E chlorohydrin | -7.1 | 3.444709998 | -3.744965059 | 35.16502704 | 24.07156987 | 8.903702184 | 25.05991857 | 5.907179729 | 5.969305288 | 28.7672231 | 0.0 | 0.0 | 11.60093989 | 33.78049337 | 31.38565729 | 92.60998848 | 20.67749427 | null | -7.1 | null | null | null | null | null | null | null | null | null | null | 2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O | 103.1207134 | 47.10614382 | 1.431199657 | 25.3193559 | 11.78791537 | 102.355691 | 32.77747989 | 0.0 | 0 | 0.0 | null | null | null | null | ['Mono16', 'P', 'I', 'meV', 'meA', 'Bal'] | [0.1901, 0.2794999999999998, 0.8193999999999999, 0.7715000000000001, 0.1353999999999999, -0.2052] | [46.53, 20.31, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 0.0 | 11.60093989 | 125.7540268 | 33.50408606 | 11.78791537 | 127.8082201 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Ahlbach | 944 | null | 165.66 | 1.1 | 410.5384016 | 5.443614902 | 84.95400919 | -1.046007929 | 0.0 | -42.12824935 | -25.79861036 | -39.64236341 | -50.45968356 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0.27798935 | null |
63beaf16c80d93001af80c44259e657d42d4daf49ae040b1105359d5a65e8732 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 944 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono16', 'P', 'V', 'meV', 'meA', 'Bal'] | 41 | 945 | -7.4 | -7.4 | Circle | 8 | -1.6e-16 | -2.709339201 | -8.92e-17 | -2.864226262 | 6.33e-18 | -1.110064118 | 1.35e-15 | -0.24921507 | 4.268619412 | 2774.663495 | 129.0 | null | null | 71.76506652 | 65.88001877 | 20.63594772 | 37.64938256 | 32.7356634 | 10.31095239 | 6.765893158 | 6.954875395 | 4.143256149 | 4.314898942 | 2.392804481 | 2.44005004 | null | null | null | null | 201.3727212 | 13.70135004 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 70.68616595 | 615.3034911 | 1.142857143 | 1.880952381 | 2.5 | 0.785714286 | 125.0 | PEPTIDE945{[Mono16].P.V.[meV].[meA].[Bal]}$PEPTIDE945,PEPTIDE945,1:R1-6:R2$$$ | PEPTIDE945{<a href="/monomers/Mono16/">[Mono16]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Bal/">[Bal]</a>}$PEPTIDE945,PEPTIDE945,1:R1-6:R2$$$ | -2.93 | 42 | 569.788 | 945 | null | null | 5.37e+18 | 7.643733888 | 15.51402178 | 8.558192265 | 316.9718555 | null | 15.86979719 | 0.452075302 | 15.86979719 | 0.307863416 | 2.048658101 | 0.307863416 | -6.656839449 | -0.452075302 | -0.1304 | 153.9822 | 616.156 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 3 | 14 | 0 | 13 | 0 | 2 | 2 | 238 | Destruxin E2 chlorohydrin | -7.4 | 3.785738422 | -3.715711631 | 35.16502704 | 24.07156987 | 8.903702184 | 25.05991857 | 5.907179729 | 5.969305288 | 28.7672231 | 0.0 | 0.0 | 11.60093989 | 27.40756847 | 31.38565729 | 89.86847137 | 20.67749427 | null | -7.4 | null | null | null | null | null | null | null | null | null | null | 2 | CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O | 100.3791963 | 47.10614382 | 1.431199657 | 25.3193559 | 11.78791537 | 95.98276612 | 32.77747989 | 0.0 | 0 | 0.0 | null | null | null | null | ['Mono16', 'P', 'V', 'meV', 'meA', 'Bal'] | [0.1901, 0.2794999999999998, 0.4292999999999995, 0.7715000000000001, 0.1353999999999999, -0.2052] | [46.53, 20.31, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 0.0 | 11.60093989 | 125.7540268 | 33.50408606 | 11.78791537 | 118.6937781 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Ahlbach | 945 | null | 165.66 | 0.61 | 391.8645696 | 5.436334101 | 84.42511151 | -0.918025323 | 0.0 | -41.30844514 | -25.32900888 | -33.49859965 | -50.06082516 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0.284139296 | null |
a53ec7395c62d2aba3ffd87976cae7886fe700868cffa8eedd7684faecff6c9f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 945 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'd(N->O)Val', 'meV', 'd(N->O)Val', 'meV', 'd(N->O)Val'] | 63 | 946 | -4.73 | -4.73 | Circle | 6 | -2.95e-16 | -2.703471471 | -3.13e-16 | -2.826143884 | -8.58e-17 | -1.11217975 | 3.08e-16 | -0.249215008 | 6.933676302 | 2792.857803 | 87.0 | null | null | 83.81747277 | 78.5158754 | 21.5158754 | 43.21360827 | 38.96195092 | 10.46195092 | 7.373439766 | 7.373439766 | 4.418743953 | 4.418743953 | 2.552690788 | 2.552690788 | null | null | null | null | 225.136848 | 8.224551337 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 14.21058886 | 69.90868636 | 639.4094804 | 0.466666667 | 0.688888889 | 0.866666667 | 0.818181818 | 82.0 | PEPTIDE946{[meV].[d(N->O)Val].[meV].[d(N->O)Val].[meV].[d(N->O)Val]}$PEPTIDE946,PEPTIDE946,1:R1-6:R2$$$ | PEPTIDE946{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>}$PEPTIDE946,PEPTIDE946,1:R1-6:R2$$$ | -3.18 | 45 | 582.375 | 946 | null | null | 9.520000000000001e+27 | 7.135761566 | 16.40135193 | 9.417732926 | 349.0841553 | null | 16.0290658 | 0.45042992 | 16.0290658 | 0.329406876 | 2.721317317 | 0.329406876 | -6.960481905 | -0.45042992 | 3.1524 | 168.342 | 639.831 | Circle | 6 | 6 | null | 0 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 9 | 0 | 12 | 0 | 21 | 0 | 1 | 1 | 258 | Enniatin B | -4.73 | 0.82753375 | -9.957616023 | 28.91031805 | 18.05367741 | 18.24005408 | 0.0 | 17.72153919 | 17.90791586 | 14.38361155 | 14.38361155 | 0.0 | 0.0 | 82.22270541 | 35.36374611 | 90.83616707 | 8.224551337 | null | -4.73 | null | null | null | null | null | null | null | null | null | null | 1 | CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C | 121.1110497 | 35.62945505 | 0.0 | 14.69972919 | 35.36374611 | 118.5164369 | 20.9274807 | 0.0 | 0 | 0.0 | null | null | null | null | ['meV', 'd(N->O)Val', 'meV', 'd(N->O)Val', 'meV', 'd(N->O)Val'] | [0.7715000000000001, 0.8563000000000001, 0.7715000000000001, 0.8563000000000001, 0.7715000000000001, 0.8563000000000001] | [20.31, 26.3, 20.31, 26.3, 20.31, 26.3] | 0.0 | 0.0 | 0.0 | 0.0 | 107.5503964 | 42.97781197 | 35.36374611 | 160.3559431 | 0.0 | 0.0 | 0.0 | 0 | 2015_Ahlbach | 946 | null | 139.83 | 91.7 | 494.9594081 | 0.0 | 87.29401458 | 0.0 | 0.0 | -66.17920733 | -20.88144572 | -20.80968504 | -87.13308456 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0.316729769 | null |
d1438a73feb8a4f5ecf45b2407edf032b19f73c8617e2fc7729c4c5fdd7ab8c5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 946 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'd(N->O)aIle', 'meV', 'd(N->O)aIle', 'meV', 'd(N->O)Val'] | 65 | 947 | -5.34 | -5.34 | Circle | 6 | -3.27e-16 | -2.712056596 | -2.5e-16 | -2.82799707 | -1.05e-16 | -1.126696723 | 9.69e-17 | -0.249283761 | 7.141457988 | 3289.017774 | 91.0 | null | null | 88.81747277 | 83.5158754 | 22.5158754 | 45.71360827 | 41.46195092 | 10.96195092 | 7.623439766 | 7.623439766 | 4.668743953 | 4.668743953 | 2.666221824 | 2.666221824 | null | null | null | null | 237.8826978 | 10.96606845 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 14.21058886 | 72.65020348 | 667.4407805 | 0.553191489 | 0.872340426 | 1.14893617 | 0.828571429 | 96.0 | PEPTIDE947{[meV].[d(N->O)aIle].[meV].[d(N->O)aIle].[meV].[d(N->O)Val]}$PEPTIDE947,PEPTIDE947,1:R1-6:R2$$$ | PEPTIDE947{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>}$PEPTIDE947,PEPTIDE947,1:R1-6:R2$$$ | -3.18 | 47 | 606.397 | 947 | null | null | 3.6599999999999996e+31 | 7.312693792 | 17.82365087 | 9.917361121 | 367.4339216 | null | 16.34276823 | 0.45042992 | 16.34276823 | 0.329407052 | 2.801047449 | 0.329407052 | -7.207661886 | -0.45042992 | 3.9326 | 177.576 | 667.885 | Circle | 6 | 6 | null | 0 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 9 | 0 | 12 | 0 | 23 | 0 | 1 | 1 | 270 | Enniatin I | -5.34 | 0.285882776 | -10.053656 | 28.91031805 | 18.05367741 | 18.24005408 | 0.0 | 17.72153919 | 17.90791586 | 14.38361155 | 14.38361155 | 0.0 | 0.0 | 82.22270541 | 36.32168054 | 108.1071167 | 8.224551337 | null | -5.34 | null | null | null | null | null | null | null | null | null | null | 1 | CC[C@H](C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C1=O | 126.5940839 | 35.62945505 | 0.0 | 14.69972919 | 35.36374611 | 131.2622867 | 20.9274807 | 0.0 | 0 | 0.0 | null | null | null | null | ['meV', 'd(N->O)aIle', 'meV', 'd(N->O)aIle', 'meV', 'd(N->O)Val'] | [0.7715000000000001, 1.2464, 0.7715000000000001, 1.2464, 0.7715000000000001, 0.8563000000000001] | [20.31, 26.3, 20.31, 26.3, 20.31, 26.3] | 0.0 | 0.0 | 0.0 | 0.0 | 107.5503964 | 42.97781197 | 35.36374611 | 178.5848271 | 0.0 | 0.0 | 0.0 | 0 | 2015_Ahlbach | 947 | null | 139.83 | 42.8 | 532.8393452 | 0.0 | 88.38479181 | 0.0 | 0.0 | -68.15925656 | -21.34886549 | -33.61178483 | -88.35423015 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0.27826483 | null |
f7de3251d9c15c9255ce927679bd8e03e3c2c9cc9b2d02d5cc9bafc0c5abe590 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 947 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'd(N->O)Val', 'meV', 'd(N->O)Val', 'meV', 'd(N->O)Val'] | 63 | 948 | -5.45 | -5.45 | Circle | 6 | -3.01e-16 | -2.696616245 | -2.32e-16 | -2.819605467 | -9.33e-17 | -1.111733604 | 4.55e-16 | -0.249215008 | 6.667599915 | 2849.800689 | 85.0 | null | null | 78.81747277 | 73.5158754 | 20.5158754 | 40.71360827 | 36.46195092 | 9.961950923 | 6.998439766 | 6.998439766 | 4.181940554 | 4.181940554 | 2.338825316 | 2.338825316 | null | null | null | null | 212.3909981 | 6.853792781 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 14.21058886 | 65.7964107 | 611.3781803 | 0.534883721 | 0.860465116 | 1.162790698 | 0.806451613 | 83.0 | PEPTIDE948{[meA].[d(N->O)Val].[meV].[d(N->O)Val].[meV].[d(N->O)Val]}$PEPTIDE948,PEPTIDE948,1:R1-6:R2$$$ | PEPTIDE948{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>}$PEPTIDE948,PEPTIDE948,1:R1-6:R2$$$ | -3.18 | 43 | 558.353 | 948 | null | null | 2.05e+22 | 6.965129406 | 15.51692863 | 8.91814427 | 330.7343891 | null | 15.90597655 | 0.450445391 | 15.90597655 | 0.329406876 | 2.470067317 | 0.329406876 | -6.855508919 | -0.450445391 | 2.5163 | 159.178 | 611.777 | Circle | 6 | 6 | null | 0 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 9 | 0 | 12 | 0 | 19 | 0 | 1 | 1 | 246 | Enniatin J1 | -5.45 | 1.795321036 | -9.955320045 | 28.91031805 | 18.05367741 | 18.24005408 | 0.0 | 17.72153919 | 17.90791586 | 14.38361155 | 14.38361155 | 0.0 | 0.0 | 68.51892117 | 36.32168054 | 85.35313284 | 8.224551337 | null | -5.45 | null | null | null | null | null | null | null | null | null | null | 1 | CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)O[C@H](C(C)C)C(=O)N1C | 115.6280154 | 35.62945505 | 0.0 | 14.69972919 | 29.46978843 | 111.6645448 | 20.9274807 | 0.0 | 0 | 0.0 | null | null | null | null | ['meA', 'd(N->O)Val', 'meV', 'd(N->O)Val', 'meV', 'd(N->O)Val'] | [0.1353999999999999, 0.8563000000000001, 0.7715000000000001, 0.8563000000000001, 0.7715000000000001, 0.8563000000000001] | [20.31, 26.3, 20.31, 26.3, 20.31, 26.3] | 0.0 | 0.0 | 0.0 | 0.0 | 107.5503964 | 42.97781197 | 29.46978843 | 148.0210168 | 0.0 | 0.0 | 0.0 | 0 | 2015_Ahlbach | 948 | null | 139.83 | 39.0 | 456.8690292 | 0.0 | 85.89116071 | 0.0 | 0.0 | -58.05681477 | -20.04371423 | -20.2269316 | -79.68272935 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0.338843521 | null |
1375721aca574390bbd093db345109cc25ce1154cdb03adbe48dd1e2ed913346 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 948 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'd(N->O)Val', 'meV', 'd(N->O)aIle', 'meV', 'd(N->O)Val'] | 64 | 949 | -5.66 | -5.66 | Circle | 9 | -2.79e-16 | -2.70838912 | -3.4e-16 | -2.827089866 | -1.39e-16 | -1.126544146 | 4e-16 | -0.249281361 | 7.037992576 | 3175.126666 | 83.0 | null | null | 86.31747277 | 81.0158754 | 22.0158754 | 44.46360827 | 40.21195092 | 10.71195092 | 7.498439766 | 7.498439766 | 4.543743953 | 4.543743953 | 2.609456306 | 2.609456306 | null | null | null | null | 231.5097729 | 9.595309893 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 14.21058886 | 71.27944492 | 653.4251305 | 0.565217391 | 0.891304348 | 1.173913043 | 0.823529412 | 81.0 | PEPTIDE949{[meV].[d(N->O)Val].[meV].[d(N->O)aIle].[meV].[d(N->O)Val]}$PEPTIDE949,PEPTIDE949,1:R1-6:R2$$$ | PEPTIDE949{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)Val/">[d(N->O)Val]</a>}$PEPTIDE949,PEPTIDE949,1:R1-6:R2$$$ | -3.18 | 46 | 594.386 | 949 | null | null | 2.26e+29 | 7.223514261 | 17.10867709 | 9.436372134 | 358.2590385 | null | 16.25568145 | 0.45042992 | 16.25568145 | 0.329407052 | 2.748530088 | 0.329407052 | -7.15218668 | -0.45042992 | 3.5425 | 172.959 | 653.858 | Circle | 6 | 6 | null | 0 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 9 | 0 | 12 | 0 | 22 | 0 | 1 | 1 | 264 | Enniatin H | -5.66 | 0.63318513 | -10.08141405 | 28.91031805 | 18.05367741 | 18.24005408 | 0.0 | 17.72153919 | 17.90791586 | 14.38361155 | 14.38361155 | 0.0 | 0.0 | 82.22270541 | 35.84271333 | 99.47164186 | 8.224551337 | null | -5.66 | null | null | null | null | null | null | null | null | null | null | 1 | CC[C@H](C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O | 123.8525668 | 35.62945505 | 0.0 | 14.69972919 | 35.36374611 | 124.8893618 | 20.9274807 | 0.0 | 0 | 0.0 | null | null | null | null | ['meV', 'd(N->O)Val', 'meV', 'd(N->O)aIle', 'meV', 'd(N->O)Val'] | [0.7715000000000001, 0.8563000000000001, 0.7715000000000001, 1.2464, 0.7715000000000001, 0.8563000000000001] | [20.31, 26.3, 20.31, 26.3, 20.31, 26.3] | 0.0 | 0.0 | 0.0 | 0.0 | 107.5503964 | 42.97781197 | 35.36374611 | 169.4703851 | 0.0 | 0.0 | 0.0 | 0 | 2015_Ahlbach | 949 | null | 139.83 | 25.4 | 513.864168 | 0.0 | 87.8394032 | 0.0 | 0.0 | -67.16923195 | -21.1151556 | -27.17020855 | -87.74897513 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0.298171078 | null |
87f3193af72be2da51aaac97b1a49349d8756dfe370bbc783b0d1e2be3c9e131 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 949 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'd(N->O)aIle', 'meV', 'd(N->O)aIle', 'meV', 'd(N->O)aIle'] | 66 | 950 | -5.99 | -5.99 | Circle | 4 | -3.92e-16 | -2.715074399 | -2.86e-16 | -2.828869354 | -9.85e-17 | -1.126843893 | 1.7e-16 | -0.249283761 | 7.244323915 | 3141.989785 | 93.0 | null | null | 91.31747277 | 86.0158754 | 23.0158754 | 46.96360827 | 42.71195092 | 11.21195092 | 7.748439766 | 7.748439766 | 4.793743953 | 4.793743953 | 2.722987342 | 2.722987342 | null | null | null | null | 244.2556227 | 12.33682701 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 14.21058886 | 74.02096203 | 681.4564306 | 0.541666667 | 0.8125 | 1.0 | 0.833333333 | 91.0 | PEPTIDE950{[meV].[d(N->O)aIle].[meV].[d(N->O)aIle].[meV].[d(N->O)aIle]}$PEPTIDE950,PEPTIDE950,1:R1-6:R2$$$ | PEPTIDE950{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/d(N->O)aIle/">[d(N->O)aIle]</a>}$PEPTIDE950,PEPTIDE950,1:R1-6:R2$$$ | -3.18 | 48 | 618.408 | 950 | null | null | 7.83e+32 | 7.403173774 | 18.54598667 | 9.935166665 | 376.6088047 | null | 16.40431285 | 0.450418643 | 16.40431285 | 0.329407052 | 2.880554252 | 0.329407052 | -7.263137093 | -0.450418643 | 4.3227 | 182.193 | 681.912 | Circle | 6 | 6 | null | 0 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 9 | 0 | 12 | 0 | 24 | 0 | 1 | 1 | 276 | Enniatin MK1 688 | -5.99 | -0.115905678 | -10.02228691 | 28.91031805 | 18.05367741 | 18.24005408 | 0.0 | 17.72153919 | 17.90791586 | 14.38361155 | 14.38361155 | 0.0 | 0.0 | 82.22270541 | 36.80064776 | 116.7425915 | 8.224551337 | null | -5.99 | null | null | null | null | null | null | null | null | null | null | 1 | CC[C@H](C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C1=O | 129.335601 | 35.62945505 | 0.0 | 14.69972919 | 35.36374611 | 137.6352116 | 20.9274807 | 0.0 | 0 | 0.0 | null | null | null | null | ['meV', 'd(N->O)aIle', 'meV', 'd(N->O)aIle', 'meV', 'd(N->O)aIle'] | [0.7715000000000001, 1.2464, 0.7715000000000001, 1.2464, 0.7715000000000001, 1.2464] | [20.31, 26.3, 20.31, 26.3, 20.31, 26.3] | 0.0 | 0.0 | 0.0 | 0.0 | 107.5503964 | 42.97781197 | 35.36374611 | 187.6992692 | 0.0 | 0.0 | 0.0 | 0 | 2015_Ahlbach | 950 | null | 139.83 | 12.2 | 551.8849396 | 0.0 | 88.93018043 | 0.0 | 0.0 | -69.14928118 | -21.58257537 | -40.13441386 | -88.94884963 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0.257137125 | null |
f8286a1d06b72f1bea76541480085902e683cec9f3ff3db5bec025cce935f87d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 950 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Aib', 'F', 'meF', 'F', 'L', 'Mono2', 'meL'] | 45 | 951 | -4.08 | -4.08 | Circle | 9 | -1.5e-16 | -2.710381415 | -7.99e-17 | -2.88287701 | 3.53e-17 | -1.134970682 | 2.55e-15 | -0.249287762 | 2.743927834 | 5180.931267 | 127.0 | null | null | 107.4752086 | 100.4882332 | 31.4882332 | 58.36794302 | 50.76903896 | 16.48018458 | 11.37836652 | 11.37836652 | 6.960871853 | 6.960871853 | 4.286177414 | 4.286177414 | null | null | null | null | 350.5933366 | 33.06253944 | 33.56176029 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 61.68413503 | 891.5258475 | 0.676923077 | 1.215384615 | 1.769230769 | 0.509803922 | 121.0 | PEPTIDE951{[Aib].F.[meF].F.L.[Mono2].[meL]}$PEPTIDE951,PEPTIDE951,1:R1-7:R2$$$ | PEPTIDE951{<a href="/monomers/Aib/">[Aib]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Mono2/">[Mono2]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE951,PEPTIDE951,1:R1-7:R2$$$ | -6.05 | 65 | 822.603 | 951 | null | null | 4.79e+45 | 11.37029941 | 22.22989595 | 13.03940371 | 481.3618145 | null | 17.12217731 | 0.342492051 | 17.12217731 | 0.245578246 | 1.872073379 | 0.245578246 | -7.287666586 | -0.342492051 | 4.0605 | 249.7598 | 892.155 | Circle | 7 | 7 | null | 4 | 14 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 7 | 4 | 14 | 0 | 19 | 0 | 2 | 2 | 350 | Scytalidamide B | -4.08 | 2.073202653 | 2.81428736 | 35.93898261 | 41.64628006 | 5.647368313 | 41.35025811 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 124.8957412 | 67.19478647 | 99.88066466 | 28.78592968 | null | -4.08 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2[C@@H](C)CCN2C1=O | 128.3084348 | 41.35025811 | 0.0 | 35.93898261 | 17.68187306 | 127.8470743 | 20.44851348 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['Aib', 'F', 'meF', 'F', 'L', 'Mono2', 'meL'] | [0.1832999999999998, 1.0159999999999998, 1.3581999999999996, 1.0159999999999998, 0.8193999999999995, 0.5255000000000001, 1.1616] | [29.1, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 118.1447808 | 52.68053499 | 17.68187306 | 172.8716802 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2015_Ahlbach | 951 | null | 177.33 | 117.4 | 622.4596409 | 0.0 | 110.6814457 | -10.81958913 | -15.39205576 | -51.41185046 | -75.54971507 | -38.03285285 | -59.76835663 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.237433264 | null |
4ffda10613cf6ea4ae05708f70ca0af83fab024b660512c8a38ffe9d2214be1a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 951 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Aib', 'F', 'meF', 'F', 'L', 'P', 'meL'] | 41 | 952 | -4.19 | -4.19 | Circle | 5 | -1.37e-16 | -2.707742359 | -2.3e-17 | -2.8826551 | -4.56e-18 | -1.13497117 | 2.58e-15 | -0.249287762 | 2.70174918 | 5066.0988 | 126.0 | null | null | 104.9752086 | 97.9882332 | 30.9882332 | 57.11794302 | 49.51903896 | 16.23018458 | 11.12836652 | 11.12836652 | 6.779970153 | 6.779970153 | 4.148858497 | 4.148858497 | null | null | null | null | 344.2204117 | 33.06253944 | 33.56176029 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 58.94261792 | 877.5101975 | 0.671875 | 1.203125 | 1.765625 | 0.5 | 125.0 | PEPTIDE952{[Aib].F.[meF].F.L.P.[meL]}$PEPTIDE952,PEPTIDE952,1:R1-7:R2$$$ | PEPTIDE952{<a href="/monomers/Aib/">[Aib]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE952,PEPTIDE952,1:R1-7:R2$$$ | -6.05 | 64 | 810.592 | 952 | null | null | 3.85e+44 | 11.30311651 | 22.03391018 | 12.7854946 | 472.1869314 | null | 17.076378 | 0.342492053 | 17.076378 | 0.245428308 | 1.85418496 | 0.245428308 | -7.162241415 | -0.342492053 | 3.8145 | 245.2128 | 878.128 | Circle | 7 | 7 | null | 4 | 14 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 7 | 4 | 14 | 0 | 18 | 0 | 2 | 2 | 344 | Scytalidamide A | -4.19 | 2.437049049 | 2.880424919 | 35.93898261 | 41.64628006 | 5.647368313 | 41.35025811 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 118.0438491 | 67.67375369 | 97.13914755 | 28.78592968 | null | -4.19 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O | 125.5669176 | 41.35025811 | 0.0 | 35.93898261 | 11.78791537 | 127.3681071 | 20.44851348 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['Aib', 'F', 'meF', 'F', 'L', 'P', 'meL'] | [0.1832999999999998, 1.0159999999999998, 1.3581999999999996, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 1.1616] | [29.1, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 118.1447808 | 52.68053499 | 11.78791537 | 169.6511958 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2015_Ahlbach | 952 | null | 177.33 | 103.8 | 602.2735926 | 0.0 | 109.9685509 | -10.63458895 | -15.23677577 | -44.25799173 | -74.51074143 | -43.55235567 | -53.13302333 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.23953517 | null |
dd69c3b52bd9820aff3462ef9124e9ccb320ddd04d0b2e8b94b05c6c8610c372 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 952 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meA', '(N->O)Val', 'A', '(N->O)Leu', 'Me_dF'] | 53 | 953 | -5.14 | -5.14 | Circle | 2 | -1.11e-16 | -2.672066237 | -6.82e-17 | -2.838888925 | 2e-17 | -1.133804254 | 1.5e-15 | -0.249251482 | 4.222261924 | 2951.388538 | 106.0 | null | null | 72.15181787 | 66.55484071 | 20.55484071 | 38.36526694 | 33.17173662 | 10.27730943 | 6.946752032 | 6.946752032 | 4.058943021 | 4.058943021 | 2.257874024 | 2.257874024 | null | null | null | null | 214.4425904 | 19.86664578 | 14.38361155 | 0 | 0 | 0 | 0 | 0 | 0 | 9.473725908 | 57.6540264 | 602.3315644 | 0.906976744 | 1.604651163 | 2.209302326 | 0.612903226 | 105.0 | PEPTIDE953{[dA].[meA].[(N->O)Val].A.[(N->O)Leu].[Me_dF]}$PEPTIDE953,PEPTIDE953,1:R1-6:R2$$$ | PEPTIDE953{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/(N->O)Val/">[(N->O)Val]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/(N->O)Leu/">[(N->O)Leu]</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>}$PEPTIDE953,PEPTIDE953,1:R1-6:R2$$$ | -3.96 | 43 | 556.361 | 953 | null | null | 7.35e+16 | 7.63115056 | 15.49271946 | 9.520563731 | 318.1094959 | null | 15.73586949 | 0.450719598 | 15.73586949 | 0.328847326 | 1.63479823 | 0.328847326 | -6.465490442 | -0.450719598 | 1.4517 | 158.1984 | 602.729 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 8 | 2 | 12 | 0 | 14 | 0 | 1 | 1 | 238 | Guangomide B | -5.14 | 4.811058031 | -6.036781953 | 29.89317208 | 24.07156987 | 14.98372021 | 11.81435946 | 11.81435946 | 11.93861058 | 19.17814874 | 9.589074368 | 0.0 | 0.0 | 57.61966201 | 44.27996812 | 65.55961106 | 15.07834412 | null | -5.14 | null | null | null | null | null | null | null | null | null | null | 2 | CC(C)C[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H](C(C)C)OC(=O)[C@H](C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C1=O | 101.3780096 | 35.56732949 | 0.0 | 20.41944617 | 11.78791537 | 96.94070055 | 13.9516538 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['dA', 'meA', '(N->O)Val', 'A', '(N->O)Leu', 'Me_dF'] | [-0.2068000000000003, 0.1353999999999999, 0.8563000000000001, -0.2068000000000003, 1.2464, 1.3581999999999996] | [29.1, 20.31, 26.3, 29.1, 26.3, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 95.55040868 | 44.61387391 | 11.78791537 | 120.2129977 | 30.21209354 | 2.823684157 | 0.0 | 0 | 2015_Ahlbach | 953 | null | 151.42 | 61.6 | 393.4279562 | 0.0 | 86.42173208 | -4.522075818 | -2.495853785 | -35.6325885 | -33.9458356 | -24.32919019 | -48.17414437 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.480935197 | null |
ba73d996a8dd4db85e35957a28f4bb4213da6f44f3184461f740cb68881a46a6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 953 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meA', '(N->O)Val(3-OH)', 'A', '(N->O)Leu', 'Me_dF'] | 59 | 954 | -5.19 | -5.19 | Circle | 2 | -1.44e-16 | -2.672016897 | -1.28e-16 | -2.842897448 | 4.34e-17 | -1.133783704 | 3.09e-15 | -0.24882206 | 4.246182823 | 2972.933457 | 141.0 | null | null | 72.85892465 | 66.963089 | 20.963089 | 38.92592712 | 33.28410906 | 10.48143358 | 7.25293825 | 7.25293825 | 4.151640724 | 4.151640724 | 2.322362464 | 2.322362464 | null | null | null | null | 214.1496835 | 19.86664578 | 14.38361155 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 57.7144675 | 618.3264791 | 1.0 | 1.704545455 | 2.295454545 | 0.612903226 | 125.0 | PEPTIDE954{[dA].[meA].[(N->O)Val(3-OH)].A.[(N->O)Leu].[Me_dF]}$PEPTIDE954,PEPTIDE954,1:R1-6:R2$$$ | PEPTIDE954{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/(N->O)Val(3-OH)/">[(N->O)Val(3-OH)]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/(N->O)Leu/">[(N->O)Leu]</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>}$PEPTIDE954,PEPTIDE954,1:R1-6:R2$$$ | -4.0 | 44 | 572.36 | 954 | null | null | 1.59e+21 | 8.038049941 | 15.13464123 | 9.5 | 322.9903999 | null | 15.76215507 | 0.450719598 | 15.76215507 | 0.328945763 | 1.639895985 | 0.328945763 | -6.484471923 | -0.450719598 | 0.5666 | 159.6582 | 618.728 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 9 | 3 | 13 | 0 | 15 | 0 | 1 | 1 | 244 | Guangomide A | -5.19 | 4.25667809 | -5.234891118 | 35.00198027 | 29.67262068 | 8.903702184 | 19.32557714 | 11.81435946 | 11.93861058 | 19.17814874 | 9.589074368 | 0.0 | 0.0 | 43.91587777 | 52.08979466 | 64.1888525 | 15.07834412 | null | -5.19 | null | null | null | null | null | null | null | null | null | null | 2 | CC(C)C[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H](C(C)(C)O)OC(=O)[C@H](C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C1=O | 105.1160593 | 35.56732949 | 1.431199657 | 20.41944617 | 5.893957685 | 102.5417514 | 13.9516538 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['dA', 'meA', '(N->O)Val(3-OH)', 'A', '(N->O)Leu', 'Me_dF'] | [-0.2068000000000003, 0.1353999999999999, -0.0288000000000001, -0.2068000000000003, 1.2464, 1.3581999999999996] | [29.1, 20.31, 46.53, 29.1, 26.3, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 107.6914673 | 44.61387391 | 5.893957685 | 118.8422391 | 30.21209354 | 2.823684157 | 0.0 | 0 | 2015_Ahlbach | 954 | null | 171.65 | 58.8 | 393.6108355 | 0.0 | 86.73025518 | -0.808219266 | -8.266879748 | -30.05869737 | -34.07547304 | -24.44212865 | -48.43969262 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.399101343 | null |
bc11abfda28ec0d490da1efeed36492eedf96b9b35c2c0ce61b954fbb2ba0840 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 954 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'G', 'I', 'meS', 'meV', 'S', 'V', 'Me_dF', 'G', 'V', 'meT', 'V', 'meT', 'V'] | 86 | 955 | -8.39 | -8.39 | Circle | 3 | -2.51e-16 | -2.707243321 | -2.4e-16 | -2.902723258 | -9.92e-17 | -1.125780274 | 1.08e-15 | -0.249281429 | 5.369256527 | 7765.124945 | 323.0 | null | null | 171.9583363 | 159.1094596 | 47.10945957 | 90.85139433 | 78.48756766 | 23.27686574 | 15.94828508 | 15.94828508 | 9.690095799 | 9.690095799 | 5.465126857 | 5.465126857 | null | null | null | null | 493.5834011 | 42.7810999 | 67.12352058 | 0 | 0 | 0 | 0 | 0 | 0 | 20.43523276 | 111.314291 | 1400.827903 | 0.484848485 | 0.919191919 | 1.373737374 | 0.701492537 | 342.0 | PEPTIDE955{[Me_dA].G.I.[meS].[meV].S.V.[Me_dF].G.V.[meT].V.[meT].V}$PEPTIDE955,PEPTIDE955,1:R1-14:R2$$$ | PEPTIDE955{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meS/">[meS]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/G/">G</a>.<a href="/monome... | -8.36 | 99 | 1288.817 | 955 | null | null | 7.86e+79 | 17.56294801 | 39.43559599 | 23.37058448 | 739.251015 | null | 17.15506556 | 0.393679071 | 17.15506556 | 0.247681599 | 2.152730992 | 0.247681599 | -7.713747482 | -0.393679071 | -3.5619 | 363.9498 | 1401.713 | Circle | 14 | 14 | null | 12 | 32 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 18 | 12 | 32 | 0 | 38 | 0 | 1 | 1 | 558 | Verrucamide B | -8.39 | -8.618636297 | 3.787517808 | 92.31319798 | 72.21470962 | 11.29473663 | 88.42531484 | 0.0 | 0.0 | 67.12352058 | 0.0 | 0.0 | 0.0 | 118.8077238 | 61.48287396 | 148.2932609 | 75.28220692 | null | -8.39 | null | null | null | null | null | null | null | null | null | null | 2 | CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O | 235.9293456 | 82.70051621 | 5.724798629 | 71.87796521 | 35.36374611 | 199.8989772 | 67.96665126 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['Me_dA', 'G', 'I', 'meS', 'meV', 'S', 'V', 'Me_dF', 'G', 'V', 'meT', 'V', 'meT', 'V'] | [0.1353999999999999, -0.5953000000000002, 0.8193999999999999, -0.8922000000000003, 0.7715000000000001, -1.2344000000000002, 0.4292999999999995, 1.3581999999999996, -0.5953000000000002, 0.4292999999999995, -0.5037, 0.4292999999999995, -0.5037, 0.4292999999999995] | [20.31, 29.1, 29.1, 40.540000000000006, 20.31, 49.33, 29.1, 20.31, 29.1, 29.1, 40.54, 29.1, 40.54, 29.1] | 42.47850683 | 0.0 | 0.0 | 0.0 | 290.6014029 | 73.49644548 | 35.36374611 | 251.7906138 | 30.21209354 | 11.29473663 | 0.0 | 0 | 2015_Ahlbach | 955 | null | 435.58 | 0.06 | 993.2019586 | 0.0 | 215.5361431 | -10.58369506 | -3.185708919 | -112.5878514 | -102.428741 | -26.81311708 | -161.0556548 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 14 | 0 | 0 | 0 | 6 | 8 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.090925518 | null |
57b50a203dbb56691128abc1d053f06fa1fe99d5b01dc48f4b031d34034f8373 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 955 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'G', 'V', 'meS', 'meV', 'S', 'V', 'Me_dF', 'G', 'V', 'meT', 'V', 'meT', 'V'] | 86 | 956 | -7.24 | -7.24 | Circle | 1 | -1.87e-16 | -2.702837827 | -1.72e-16 | -2.902645962 | -6.06e-17 | -1.108698865 | 1.08e-15 | -0.249214997 | 5.321130573 | 7626.840234 | 343.0 | null | null | 169.4583363 | 156.6094596 | 46.60945957 | 89.60139433 | 77.23756766 | 23.02686574 | 15.82328508 | 15.82328508 | 9.565095799 | 9.565095799 | 5.405926007 | 5.405926007 | null | null | null | null | 487.2104762 | 41.36925782 | 67.12352058 | 0 | 0 | 0 | 0 | 0 | 0 | 20.43523276 | 109.9846159 | 1386.812253 | 0.459183673 | 0.846938776 | 1.255102041 | 0.696969697 | 342.0 | PEPTIDE956{[Me_dA].G.V.[meS].[meV].S.V.[Me_dF].G.V.[meT].V.[meT].V}$PEPTIDE956,PEPTIDE956,1:R1-14:R2$$$ | PEPTIDE956{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meS/">[meS]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/G/">G</a>.<a href="/monome... | -8.36 | 98 | 1276.806 | 956 | null | null | 1.74e+79 | 17.49549781 | 38.6977272 | 22.86034227 | 730.0761318 | null | 17.12967775 | 0.393679071 | 17.12967775 | 0.247681599 | 2.143241408 | 0.247681599 | -7.696010294 | -0.393679071 | -3.952 | 359.3328 | 1387.686 | Circle | 14 | 14 | null | 12 | 32 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 18 | 12 | 32 | 0 | 37 | 0 | 1 | 1 | 552 | Verrucamide D | -7.24 | -8.412854408 | 3.785508613 | 92.31319798 | 72.21470962 | 11.29473663 | 88.42531484 | 0.0 | 0.0 | 67.12352058 | 0.0 | 0.0 | 0.0 | 112.4347989 | 61.48287396 | 145.5517438 | 75.28220692 | null | -7.24 | null | null | null | null | null | null | null | null | null | null | 2 | CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O | 233.1878285 | 82.70051621 | 5.724798629 | 71.87796521 | 35.36374611 | 193.5260523 | 67.96665126 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['Me_dA', 'G', 'V', 'meS', 'meV', 'S', 'V', 'Me_dF', 'G', 'V', 'meT', 'V', 'meT', 'V'] | [0.1353999999999999, -0.5953000000000002, 0.4292999999999995, -0.8922000000000003, 0.7715000000000001, -1.2344000000000002, 0.4292999999999995, 1.3581999999999996, -0.5953000000000002, 0.4292999999999995, -0.5037, 0.4292999999999995, -0.5037, 0.4292999999999995] | [20.31, 29.1, 29.1, 40.540000000000006, 20.31, 49.33, 29.1, 20.31, 29.1, 29.1, 40.54, 29.1, 40.54, 29.1] | 42.47850683 | 0.0 | 0.0 | 0.0 | 290.6014029 | 73.49644548 | 35.36374611 | 242.6761718 | 30.21209354 | 11.29473663 | 0.0 | 0 | 2015_Ahlbach | 956 | null | 435.58 | 0.78 | 973.5926419 | 0.0 | 214.8228586 | -10.33439757 | -3.173551164 | -111.6308408 | -101.7719595 | -20.30248698 | -160.3689311 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 14 | 0 | 0 | 0 | 6 | 8 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.095023393 | null |
f881178a6c2e262fa2aa54cffea022f94a107c9bbace0d82b67e2e819ac64776 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 956 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono17', 'Mono18', 'Mono19', 'Mono20'] | 40 | 957 | -4.73 | -4.73 | Circle | 9 | 4.6e-17 | -2.673702097 | 1.63e-16 | -2.766207047 | 1.243776894 | -1.125579877 | 10.4966338 | -0.249273703 | 1.986870498 | 3873.175892 | 146.0 | null | null | 77.85856017 | 71.34369509 | 26.97668825 | 43.56554023 | 36.31605289 | 15.16019167 | 9.395122814 | 10.98501606 | 5.985794192 | 7.532587516 | 3.712482715 | 4.974617138 | null | null | null | null | 267.9923129 | 15.11942764 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 19.95276651 | 57.57352594 | 762.2981732 | 0.849056604 | 1.471698113 | 2.094339623 | 0.513513514 | 167.0 | PEPTIDE957{[Mono17].[Mono18].[Mono19].[Mono20]}$PEPTIDE957,PEPTIDE957,1:R1-4:R2$$$ | PEPTIDE957{<a href="/monomers/Mono17/">[Mono17]</a>.<a href="/monomers/Mono18/">[Mono18]</a>.<a href="/monomers/Mono19/">[Mono19]</a>.<a href="/monomers/Mono20/">[Mono20]</a>}$PEPTIDE957,PEPTIDE957,1:R1-4:R2$$$ | -4.7 | 53 | 716.591 | 957 | null | null | 4.41e+26 | 10.9589997 | 16.12414697 | 8.430592559 | 381.0958155 | null | 15.58252963 | 0.473601127 | 15.58252963 | 0.270919856 | 0.752226395 | 0.270919856 | -5.469925061 | -0.473601127 | 4.1611 | 202.1568 | 762.959 | Circle | 4 | 4 | null | 4 | 14 | null | null | 0 | 3 | 3 | 1 | 2 | 3 | 12 | 4 | 16 | 0 | 12 | 0 | 0 | 0 | 282 | Patellamide C | -4.73 | 6.200164633 | 3.586809861 | 30.71297932 | 45.59892437 | 17.68315325 | 23.60985015 | 11.81435946 | 0.0 | 19.17814874 | 19.95276651 | 0.0 | 22.67357176 | 63.99258691 | 44.27996812 | 47.72270984 | 32.59716328 | null | -4.73 | null | null | null | null | null | null | null | null | null | null | 6 | CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@H]2N=C1O[C@@H]2C | 91.87110232 | 58.09778136 | 0.0 | 31.20721046 | 21.77272484 | 108.9764855 | 0.0 | 67.89087723 | 0 | 0.0 | null | null | null | null | ['Mono17', 'Mono18', 'Mono19', 'Mono20'] | [1.236, 1.0051999999999996, 2.4588, 0.6150999999999993] | [41.99, 50.69, 41.99, 50.69] | 21.23925341 | 0.0 | 0.0 | 22.67357176 | 81.62377258 | 25.43572518 | 11.78791537 | 160.4994433 | 50.90913182 | 5.647368313 | 0.0 | 0 | 2015_Ahlbach | 957 | null | 185.36 | 92.4 | 410.6789308 | -1.565164816 | 73.73356104 | -13.55848627 | -6.208510578 | -28.35747791 | -38.71733761 | -19.94864354 | -33.64020448 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 2 | 4 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0.298658087 | null |
161b00a763ed0a65016d4db68e72763595846816756b41efa4c93b3138f95e90 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 957 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono21-', 'Orn', 'meV', 'meA'] | 32 | 958 | -10.0 | -10 | Lariat | 9 | -6.44e-17 | -2.712611399 | -1.37e-16 | -2.862798128 | -2.75e-17 | -1.107399197 | 1.1e-15 | -0.248185259 | 5.405360224 | 1913.552883 | 105.0 | null | null | 50.5055535 | 46.33009583 | 14.33009583 | 26.77627944 | 22.90111589 | 7.006688704 | 4.499723313 | 4.499723313 | 2.650989586 | 2.650989586 | 1.443960112 | 1.443960112 | null | < 10.14 (was undetected in the acceptor well over 16 h) (permeability was set to -10 by CycPeptMPDB) | null | null | 152.216339 | 23.97268592 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 43.94644084 | 420.2372701 | 1.366666667 | 2.133333333 | 2.766666667 | 0.571428571 | 105.0 | PEPTIDE958{[Mono21-].[Orn].[meV].[meA]}$PEPTIDE958,PEPTIDE958,2:R3-4:R2$$$ | PEPTIDE958{<a href="/monomers/Mono21-/">[Mono21-]</a>.<a href="/monomers/Orn/">[Orn]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meA/">[meA]</a>}$PEPTIDE958,PEPTIDE958,2:R3-4:R2$$$ | -2.97 | 30 | 388.254 | 958 | null | null | 345000000000.0 | 5.255920838 | 11.89291851 | 6.821603007 | 222.1552276 | null | 14.93434671 | 0.354319874 | 14.93434671 | 0.245542478 | 1.740101062 | 0.245542478 | -5.978146472 | -0.354319874 | 0.0224 | 112.1464 | 420.51 | Lariat | 4 | 3 | null | 2 | 9 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 5 | 2 | 9 | 0 | 10 | 0 | 1 | 1 | 166 | Sclerotiotide F | -10.0 | 8.918725868 | -1.502331665 | 20.41944617 | 25.68664812 | 2.823684157 | 23.62871892 | 0.0 | 0.0 | 23.97268592 | 0.0 | 0.0 | 0.0 | 25.80792773 | 31.54377135 | 56.65727347 | 9.595309893 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 1 | CC(C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)NCCC[C@H](NC(=O)/C=C/C=C/C=O)C(=O)N1C | 67.91912676 | 29.89093108 | 0.0 | 20.41944617 | 5.893957685 | 51.35520356 | 20.44851348 | 24.20828698 | 0 | 0.0 | null | null | null | null | ['Mono21-', 'Orn', 'meV', 'meA'] | [0.4965999999999999, -0.2270999999999998, 0.7715000000000001, 0.1353999999999999] | [34.14, 41.13, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 78.19294143 | 23.97268592 | 5.893957685 | 74.42428284 | 24.20828698 | 2.823684157 | 0.0 | 0 | 2015_Ahlbach | 958 | null | 115.89 | 0.0 | 259.7549994 | 0.0 | 64.85765503 | -3.490012013 | 0.0 | -19.40026935 | -25.16250299 | -13.00974382 | -30.5501263 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 5 | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 1 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.369638675 | null |
4b45b0a8855d9a44c6efe92b8d98bb965771deafa970a29ebb4b1c479744f9e4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 959 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['T', 'I', 'P', 'Tyr(Me)'] | 26 | 960 | -7.24 | -7.24 | Circle | 5 | -5.85e-17 | -2.697487352 | -5.84e-17 | -2.904576949 | 1.52e-17 | -1.125727901 | 4.18e-15 | -0.249085886 | 2.999324552 | 2358.200673 | 124.0 | null | null | 56.99711733 | 52.73834412 | 16.73834412 | 30.89339949 | 26.44121927 | 8.691330196 | 5.907971604 | 5.907971604 | 3.750060676 | 3.750060676 | 2.253450259 | 2.253450259 | null | null | null | null | 175.5684405 | 12.33059148 | 9.589074368 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 46.78948258 | 488.2634849 | 1.257142857 | 2.057142857 | 2.742857143 | 0.6 | 127.0 | PEPTIDE960{T.I.P.[Tyr(Me)]}$PEPTIDE960,PEPTIDE960,1:R1-4:R2$$$ | PEPTIDE960{<a href="/monomers/T/">T</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>}$PEPTIDE960,PEPTIDE960,1:R1-4:R2$$$ | -3.14 | 35 | 452.297 | 960 | null | null | 31600000000000.0 | 6.216994058 | 11.52573429 | 6.10990822 | 256.1567067 | null | 15.28407627 | 0.496768219 | 15.28407627 | 0.245606852 | 1.576624219 | 0.245606852 | -5.940389508 | -0.496768219 | 0.1236 | 128.3609 | 488.585 | Circle | 4 | 4 | null | 4 | 10 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 4 | 10 | 0 | 11 | 0 | 2 | 2 | 192 | pc1026 | -7.24 | 7.348476688 | -1.199636468 | 30.67502094 | 29.82108171 | 4.235526235 | 25.05991857 | 0.0 | 0.0 | 19.17814874 | 0.0 | 0.0 | 0.0 | 32.16154655 | 43.13998851 | 40.28495571 | 29.56707316 | null | -7.24 | null | null | null | null | null | null | null | null | null | null | 3 | CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H]2CCCN2C1=O | 77.12361991 | 23.62871892 | 1.431199657 | 20.82934979 | 5.893957685 | 76.19896386 | 13.53481214 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['T', 'I', 'P', 'Tyr(Me)'] | [-0.1918000000000002, 0.8193999999999999, 0.2794999999999998, 1.0245999999999995] | [38.33, 29.1, 20.31, 38.33] | 20.66630301 | 0.0 | 5.749511833 | 0.0 | 78.75503654 | 25.55107364 | 5.893957685 | 89.10217635 | 24.16967483 | 4.235526235 | 0.0 | 0 | 2015_Ahlbach | 960 | null | 137.07 | 0.8 | 305.1994306 | 0.0 | 58.50521255 | -2.034037068 | -2.186291862 | -21.71607555 | -30.18078868 | -25.59776006 | -19.91989605 | -3.653127217 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 1 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.449119277 | null |
8cee5166144341953c08d3a8db42105bd00655bedd83e4fc1a73d5a423af4c72 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 960 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'Me_Phe(a,b-dehydro)', 'G'] | 40 | 961 | -5.61 | -5.61 | Circle | 1 | -7.44e-17 | -2.684515548 | 3.71e-18 | -2.834963416 | 1.16e-16 | -1.133138669 | 3.02e-15 | -0.248226695 | 3.763827313 | 1954.223867 | 93.0 | null | null | 48.23760431 | 44.42184754 | 14.42184754 | 26.15427097 | 22.19699175 | 7.302564558 | 4.897661241 | 4.897661241 | 2.914365961 | 2.914365961 | 1.644231083 | 1.644231083 | null | null | null | null | 156.8796785 | 19.17814874 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 41.20492373 | 414.2267054 | 1.4 | 2.166666667 | 2.8 | 0.454545455 | 94.0 | PEPTIDE961{[meA].L.[Me_Phe(a,b-dehydro)].G}$PEPTIDE961,PEPTIDE961,1:R1-4:R2$$$ | PEPTIDE961{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Phe(a,b-dehydro)/">[Me_Phe(a,b-dehydro)]</a>.<a href="/monomers/G/">G</a>}$PEPTIDE961,PEPTIDE961,1:R1-4:R2$$$ | -3.16 | 30 | 384.266 | 961 | null | null | 241000000000.0 | 5.356868205 | 10.04516403 | 5.683397427 | 219.1057511 | null | 14.89352247 | 0.342492149 | 14.89352247 | 0.267947403 | 1.245269666 | 0.267947403 | -5.624289205 | -0.342492149 | 0.9935 | 113.8164 | 414.506 | Circle | 4 | 4 | null | 2 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 4 | 2 | 8 | 0 | 8 | 0 | 1 | 1 | 162 | Tentoxin | -5.61 | 10.87009039 | 0.167587896 | 20.41944617 | 17.73282425 | 2.823684157 | 17.72153919 | 5.907179729 | 0.0 | 19.17814874 | 0.0 | 0.0 | 0.0 | 43.91587777 | 30.73429794 | 38.62530781 | 20.20444525 | null | -5.61 | null | null | null | null | null | null | null | null | null | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CNC(=O)/C(=C/c2ccccc2)N(C)C1=O | 60.38307247 | 29.68079066 | 0.0 | 20.41944617 | 5.893957685 | 38.96438619 | 20.44851348 | 41.47258434 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'Me_Phe(a,b-dehydro)', 'G'] | [0.1353999999999999, 0.8193999999999995, 1.7879999999999998, -0.5953000000000002] | [20.31, 29.1, 20.31, 29.1] | 10.61962671 | 0.0 | 0.0 | 0.0 | 65.9128368 | 19.17814874 | 5.893957685 | 70.87329232 | 35.90913285 | 2.823684157 | 6.052071746 | 0 | 2015_Ahlbach | 961 | null | 98.82 | 28.8 | 244.0747617 | 0.0 | 54.40559287 | -3.309718052 | -4.265288792 | -18.04816612 | -20.27334845 | -5.466847994 | -28.61698519 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.720951067 | null |
50942fb2216868576e625437ca07aed13abb3c13733637e6380dc975610a28fc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 961 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['2Abz', 'A', 'meF', 'L', 'meY'] | 32 | 962 | -5.22 | -5.22 | Circle | 1 | 3.2e-18 | -2.695194168 | 1.03e-16 | -2.856830627 | 1.04e-15 | -1.133156225 | 10.21106765 | -0.248278752 | 2.79522467 | 3435.063544 | 125.0 | null | null | 71.37291432 | 65.68555772 | 22.68555772 | 39.78714567 | 33.15791552 | 11.90802644 | 8.104151546 | 8.104151546 | 5.017583383 | 5.017583383 | 3.044161911 | 3.044161911 | null | null | null | null | 245.5354864 | 18.54320627 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 45.3776405 | 641.3213341 | 0.872340426 | 1.510638298 | 2.170212766 | 0.361111111 | 124.0 | PEPTIDE962{[2Abz].A.[meF].L.[meY]}$PEPTIDE962,PEPTIDE962,1:R1-5:R2$$$ | PEPTIDE962{<a href="/monomers/2Abz/">[2Abz]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE962,PEPTIDE962,1:R1-5:R2$$$ | -5.19 | 47 | 598.425 | 962 | null | null | 1.55e+22 | 9.030782917 | 15.39809189 | 8.751090979 | 335.5543882 | null | 16.2171275 | 0.507966645 | 16.2171275 | 0.29309207 | 1.496096309 | 0.29309207 | -6.43081966 | -0.507966645 | 3.1329 | 178.4584 | 641.769 | Circle | 5 | 5 | null | 4 | 11 | null | null | 0 | 1 | 1 | 3 | 0 | 3 | 6 | 4 | 11 | 0 | 12 | 0 | 0 | 0 | 248 | Cycloaspeptide A | -5.22 | 6.284425415 | 3.842445179 | 30.83806771 | 29.82108171 | 4.235526235 | 23.62871892 | 7.338379387 | 0.0 | 23.97268592 | 0.0 | 0.0 | 0.0 | 68.0855526 | 54.41535252 | 56.85419184 | 34.55373322 | null | -5.22 | 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)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O | 86.77660404 | 35.22328492 | 1.431199657 | 20.41944617 | 5.893957685 | 63.74602093 | 19.26146715 | 95.24179767 | 0 | 5.749511833 | null | null | null | null | ['2Abz', 'A', 'meF', 'L', 'meY'] | [1.5408, -0.2068000000000003, 1.3581999999999996, 0.8193999999999995, 1.0637999999999996] | [29.1, 29.1, 20.31, 29.1, 40.540000000000006] | 15.92944006 | 5.687386275 | 5.749511833 | 0.0 | 83.89894963 | 31.92399854 | 5.893957685 | 101.8730766 | 78.5514432 | 4.235526235 | 0.0 | 0 | 2015_Ahlbach | 962 | null | 148.15 | 55.5 | 373.0653653 | 0.0 | 74.36366205 | -1.453091048 | -9.640640783 | -25.60457176 | -49.28316944 | -17.00487018 | -26.3593508 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 5 | 5 | 0 | 0 | 0 | 2 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 1 | 0 | 0 | 0 | 0 | 3 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.325269586 | null |
71fdaeb93c65be2514c851fbfbe0bcd9c8deb6dda69d4b8529f4970a7aa1b93f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 962 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meQ', 'I', 'Pip', 'V', 'meQ', '(N->O)xiIle', 'F', 'P', 'G', 'meV'] | 68 | 963 | -9.4 | -9.4 | Circle | 4 | -1.57e-16 | -2.771237792 | -1.5e-16 | -2.900416944 | -2.17e-17 | -1.126282088 | 1.46e-15 | -0.24928378 | 3.322364007 | 6351.707488 | 275.0 | null | null | 137.9502646 | 127.7265773 | 38.72657733 | 73.15645371 | 63.77561674 | 19.69790798 | 13.32385106 | 13.32385106 | 8.293265174 | 8.293265174 | 4.91793591 | 4.91793591 | null | null | null | null | 413.4093474 | 48.09356451 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 83.82168954 | 1135.664132 | 0.703703704 | 1.308641975 | 1.950617284 | 0.684210526 | 267.0 | PEPTIDE963{[meQ].I.[Pip].V.[meQ].[(N->O)xiIle].F.P.G.[meV]}$PEPTIDE963,PEPTIDE963,1:R1-10:R2$$$ | PEPTIDE963{<a href="/monomers/meQ/">[meQ]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Pip/">[Pip]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meQ/">[meQ]</a>.<a href="/monomers/(N->O)xiIle/">[(N->O)xiIle]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/G/">G</a>.<a href=... | -7.14 | 81 | 1046.691 | 963 | null | null | 9.76e+62 | 14.25293534 | 30.61356058 | 17.43389802 | 601.262994 | null | 17.41660171 | 0.450434539 | 17.41660171 | 0.329152792 | 2.021144506 | 0.329152792 | -7.790328466 | -0.450434539 | 0.5134 | 298.0316 | 1136.403 | Circle | 10 | 10 | null | 8 | 24 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 13 | 6 | 24 | 0 | 25 | 0 | 3 | 3 | 450 | Sch 218157 | -9.4 | -4.236406682 | -1.723531935 | 61.91509897 | 48.14313975 | 17.37475465 | 59.07179729 | 5.907179729 | 5.969305288 | 52.73990902 | 4.794537184 | 0.0 | 0.0 | 91.40015538 | 74.22872376 | 148.0332386 | 28.42899658 | null | -9.4 | null | null | null | null | null | null | null | null | null | null | 4 | CCC(C)[C@@H]1OC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 184.5974888 | 70.94828231 | 0.0 | 45.73880207 | 35.01526469 | 185.5133935 | 40.41805975 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['meQ', 'I', 'Pip', 'V', 'meQ', '(N->O)xiIle', 'F', 'P', 'G', 'meV'] | [-0.6189999999999998, 0.8193999999999999, 0.6696, 0.4292999999999995, -0.6189999999999998, 1.2464, 1.0159999999999998, 0.2794999999999998, -0.5953000000000002, 0.7715000000000001] | [63.4, 29.1, 20.31, 29.1, 63.4, 26.3, 29.1, 20.31, 29.1, 20.31] | 32.67868736 | 0.0 | 0.0 | 0.0 | 190.0890485 | 68.64423406 | 23.57583074 | 241.5122054 | 30.21209354 | 11.29473663 | 0.0 | 0 | 2015_Ahlbach | 963 | null | 330.43 | 0.01 | 801.4108151 | 0.0 | 182.6889096 | -12.18345798 | -7.091342499 | -85.89913361 | -71.55599559 | -85.06917688 | -89.05061812 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 5 | 4 | 2 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 1 | 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 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.138643651 | null |
f75bf131ce204a2a68091f9174f50fb0ca73092078067187f21cf3409c630020 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 963 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['medl-', 'T', 'Mono26', 'Mono27', 'L', 'P', 'Me_Tyr(Me)'] | 58 | 964 | -5.89 | -5.89 | Lariat | 6 | -2.3e-16 | -2.741892798 | -1.77e-16 | -2.907999912 | -8.49e-17 | -1.135752604 | 9.4e-16 | -0.24928778 | 3.909170669 | 5133.312244 | 179.0 | null | null | 117.8754325 | 110.0822611 | 32.08226106 | 62.23516375 | 54.88946002 | 16.19235735 | 10.9989629 | 10.9989629 | 6.663121227 | 6.663121227 | 3.918706917 | 3.918706917 | null | null | null | null | 338.2125239 | 30.2799388 | 38.35629747 | 0 | 0 | 0 | 0 | 0 | 0 | 19.31939705 | 76.86400377 | 942.5677719 | 1.059701493 | 1.850746269 | 2.492537313 | 0.714285714 | 173.0 | PEPTIDE964{[medl-].T.[Mono26].[Mono27].L.P.[Me_Tyr(Me)]}$PEPTIDE964,PEPTIDE964,2:R3-7:R2$$$ | PEPTIDE964{<a href="/monomers/medl-/">[medl-]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Mono26/">[Mono26]</a>.<a href="/monomers/Mono27/">[Mono27]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_Tyr(Me)/">[Me_Tyr(Me)]</a>}$PEPTIDE964,PEPTIDE964,2:R3-7:R2$$$ | -5.1 | 67 | 864.569 | 964 | null | null | 1.98e+51 | 11.40145935 | 25.87259049 | 15.46033357 | 506.1650098 | null | 17.02440376 | 0.496768219 | 17.02440376 | 0.329042884 | 2.188697287 | 0.329042884 | -7.646523782 | -0.496768219 | 2.7057 | 250.0626 | 943.193 | Lariat | 7 | 6 | null | 5 | 18 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 13 | 5 | 18 | 0 | 27 | 0 | 2 | 2 | 376 | Didemnin A | -5.89 | -3.013536331 | -5.668642472 | 50.35846993 | 37.31294181 | 16.09878921 | 30.9670983 | 0.0 | 11.93861058 | 33.56176029 | 4.794537184 | 0.0 | 0.0 | 73.27289926 | 87.39543039 | 97.97884919 | 59.35277491 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 3 | CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O | 163.3884374 | 47.25775417 | 1.431199657 | 31.03907287 | 29.46978843 | 167.4768044 | 27.48646594 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['medl-', 'T', 'Mono26', 'Mono27', 'L', 'P', 'Me_Tyr(Me)'] | [0.8193999999999995, -0.1918000000000002, 0.5703999999999999, 1.0614999999999997, 0.8193999999999995, 0.2794999999999998, 1.3668] | [29.1, 38.33, 49.33, 43.370000000000005, 29.1, 20.31, 29.54] | 25.97611637 | 0.0 | 5.749511833 | 0.0 | 145.4314563 | 54.20294828 | 29.46978843 | 212.3852967 | 24.16967483 | 5.647368313 | 0.0 | 0 | 2015_Ahlbach | 964 | null | 239.08 | 16.0 | 697.9584567 | 0.0 | 126.3737378 | -7.58095549 | -3.132877954 | -73.11471817 | -53.58045527 | -66.88568625 | -76.71976649 | -4.234401551 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 8 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 2 | 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 | 0.141517151 | null |
69da6629f1a6be342ff94eae74494500a443c0a26e352f202f9103b5c9136311 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 964 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['deca-', 'W', 'N', 'D', 'T', 'G', 'Orn', 'D', 'dA', 'D', 'G', 'dS', 'Glu(3R-Me)', 'Asp(Ph(2-NH2))'] | 100 | 965 | -10.0 | -10 | Lariat | 2 | 1.69e-16 | -2.711682418 | 1.37e-16 | -2.896317117 | 3.39e-16 | -1.162894668 | 10.49683647 | -0.248927486 | 3.087664725 | 8846.982431 | 651.0 | null | null | 173.6875044 | 155.2170867 | 54.21708668 | 94.84434171 | 76.42867601 | 27.44316265 | 17.74114528 | 17.74114528 | 10.27778126 | 10.27778126 | 6.047719987 | 6.047719987 | null | < 10.14 (was undetected in the acceptor well over 16 h) (permeability was set to -10 by CycPeptMPDB) | null | null | 531.6911234 | 57.15847592 | 71.91805776 | 0 | 0 | 0 | 0 | 0 | 0 | 30.28090391 | 106.3847001 | 1619.710366 | 0.643478261 | 1.260869565 | 1.930434783 | 0.527777778 | 619.0 | PEPTIDE965{[deca-].W.N.D.T.G.[Orn].D.[dA].D.G.[dS].[Glu(3R-Me)].[Asp(Ph(2-NH2))]}$PEPTIDE965,PEPTIDE965,5:R3-14:R2$$$ | PEPTIDE965{<a href="/monomers/deca-/">[deca-]</a>.<a href="/monomers/W/">W</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/D/">D</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/Orn/">[Orn]</a>.<a href="/monomers/D/">D</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/D/">D</a>... | -12.7 | 115 | 1518.885 | 965 | null | null | 1.33e+83 | 24.665849 | 47.61268347 | 32.50454642 | 800.5196747 | null | 17.04629038 | 0.481221803 | 17.04629038 | 0.328969964 | 0.901853112 | 0.328969964 | -8.020317518 | -0.481221803 | -5.6218 | 400.2605 | 1620.693 | Lariat | 14 | 10 | null | 25 | 43 | null | null | 0 | 1 | 1 | 2 | 1 | 3 | 28 | 22 | 43 | 0 | 42 | 0 | 1 | 1 | 630 | Daptomycin | -10.0 | -12.96858004 | 5.378819519 | 121.4446317 | 75.10051934 | 31.19640236 | 84.13171587 | 5.724798629 | 29.84652644 | 91.0962065 | 4.794537184 | 0.0 | 0.0 | 82.15342718 | 68.90408392 | 114.6126019 | 88.42781013 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 4 | CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C | 258.5861394 | 134.9205988 | 7.155998286 | 74.00457686 | 17.33339164 | 208.024127 | 31.76928127 | 65.63914786 | 0 | 0.0 | null | null | null | null | ['deca-', 'W', 'N', 'D', 'T', 'G', 'Orn', 'D', 'dA', 'D', 'G', 'dS', 'Glu(3R-Me)', 'Asp(Ph(2-NH2))'] | [3.3260000000000023, 1.4972999999999994, -1.3512999999999995, -0.6377000000000004, -0.1918000000000002, -0.5953000000000002, -0.2270999999999998, -0.6377000000000004, -0.2068000000000003, -0.6377000000000004, -0.5953000000000002, -1.2344000000000002, -0.1159000000000006, 0.6284999999999997] | [17.07, 44.89, 72.19, 46.17, 38.33, 29.1, 41.13, 46.17, 29.1, 46.17, 29.1, 49.33, 66.4, 72.19] | 86.18672452 | 5.687386275 | 0.0 | 0.0 | 248.608931 | 102.2059944 | 5.893957685 | 249.4734573 | 54.51224487 | 28.23684157 | 16.62772356 | 0 | 2015_Ahlbach | 965 | null | 702.02 | 0.0 | 888.2157875 | 0.0 | 313.1486684 | -23.71179661 | -16.02945726 | -97.64099106 | -95.83032145 | -114.756553 | -49.22866983 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 4 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 4 | 4 | 20 | 16 | 0 | 0 | 0 | 0 | 14 | 3 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 14 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 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 | 0.011296922 | null |
61b93a92c45b71c594fd11b27020cfa9d0c7cb76dad0f93ab58ab89ee0c3da44 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 965 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'Sta', 'meL', 'meL', 'Sta', 'meL'] | 41 | 966 | -6.0 | -6 | Circle | 5 | -3.63e-16 | -2.752542044 | -3.78e-16 | -2.880891883 | -2.98e-16 | -1.140387798 | -3.09e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 142.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | 61.0 | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 129.0 | PEPTIDE966{[dP].[Sta].[meL].[meL].[Sta].[meL]}$PEPTIDE966,PEPTIDE966,1:R1-6:R2$$$ | PEPTIDE966{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE966,PEPTIDE966,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 966 | null | null | 6.11e+43 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.1 | -6.0 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -6.0 | null | null | null | null | null | -6.1 | null | null | 54.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['dP', 'Sta', 'meL', 'meL', 'Sta', 'meL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 966 | null | 179.9 | 2.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
717bd6bf630e2ae8fdd9f0455d4165bad0a9237f4db68b35337180117205f48c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 966 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'Sta', 'meL', 'meL', 'Sta', 'meL'] | 40 | 967 | -5.1 | -5.1 | Circle | 7 | -3.63e-16 | -2.752542044 | -3.78e-16 | -2.880891883 | -2.98e-16 | -1.140387798 | -3.09e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 128.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | 55.0 | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 131.0 | PEPTIDE967{P.[Sta].[meL].[meL].[Sta].[meL]}$PEPTIDE967,PEPTIDE967,1:R1-6:R2$$$ | PEPTIDE967{<a href="/monomers/P/">P</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE967,PEPTIDE967,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 967 | null | null | 6.11e+43 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.2 | -5.1 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -5.1 | null | null | null | null | null | -5.44 | null | null | 56.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['P', 'Sta', 'meL', 'meL', 'Sta', 'meL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 967 | null | 179.9 | 28.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
750afc26f0f3fa36c9987d110e1b2da32e96e5fe04995817d5cbc697f2096e73 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 967 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'Sta(3R,4R)', 'meL', 'meL', 'Sta', 'meL'] | 48 | 968 | -4.92 | -4.92 | Circle | 2 | -3.63e-16 | -2.752542044 | -3.78e-16 | -2.880891883 | -2.98e-16 | -1.140387798 | -3.09e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 129.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | null | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 124.0 | PEPTIDE968{[dP].[Sta(3R,4R)].[meL].[meL].[Sta].[meL]}$PEPTIDE968,PEPTIDE968,1:R1-6:R2$$$ | PEPTIDE968{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Sta(3R,4R)/">[Sta(3R,4R)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE968,PEPTIDE968,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 968 | null | null | 6.11e+43 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.3 | -4.92 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -4.92 | null | null | null | null | null | null | null | null | 73.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['dP', 'Sta(3R,4R)', 'meL', 'meL', 'Sta', 'meL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 968 | null | 179.9 | 41.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
55f373d733b9260a9676d91e2e6a44c2d7f23e235731c2dfc57d8c9eae65aa47 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 968 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'Sta', 'Me_dL', 'meL', 'Sta', 'meL'] | 43 | 969 | -5.15 | -5.15 | Circle | 8 | -3.63e-16 | -2.752542044 | -3.78e-16 | -2.880891883 | -2.98e-16 | -1.140387798 | -3.09e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 121.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | 57.0 | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 135.0 | PEPTIDE969{[dP].[Sta].[Me_dL].[meL].[Sta].[meL]}$PEPTIDE969,PEPTIDE969,1:R1-6:R2$$$ | PEPTIDE969{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE969,PEPTIDE969,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 969 | null | null | 6.11e+43 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.4 | -5.15 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -5.15 | null | null | null | null | null | -5.11 | null | null | 40.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['dP', 'Sta', 'Me_dL', 'meL', 'Sta', 'meL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 969 | null | 179.9 | 25.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
6660af266bdc0bdd98beb417eb8206179705d23f502f51c1462c7796f1e095f6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 969 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'Sta', 'meL', 'Me_dL', 'Sta', 'meL'] | 43 | 970 | -5.7 | -5.7 | Circle | 6 | -3.63e-16 | -2.752542044 | -3.78e-16 | -2.880891883 | -2.98e-16 | -1.140387798 | -3.09e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 132.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | 62.0 | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 134.0 | PEPTIDE970{[dP].[Sta].[meL].[Me_dL].[Sta].[meL]}$PEPTIDE970,PEPTIDE970,1:R1-6:R2$$$ | PEPTIDE970{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE970,PEPTIDE970,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 970 | null | null | 6.11e+43 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.5 | -5.7 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -5.7 | null | null | null | null | null | -5.85 | null | null | 96.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['dP', 'Sta', 'meL', 'Me_dL', 'Sta', 'meL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 970 | null | 179.9 | 7.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
7a4aeb0e911ccb8fa71ab19b2eb596fd59f0feab2050fc86b2ad94a598e3d4da | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 970 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'Sta', 'meL', 'meL', 'Sta(3R,4R)', 'meL'] | 48 | 971 | -4.7 | -4.7 | Circle | 5 | -3.64e-16 | -2.752542044 | -3.81e-16 | -2.880891883 | -3.26e-16 | -1.140387798 | -1.99e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 140.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | 57.0 | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 136.0 | PEPTIDE971{[dP].[Sta].[meL].[meL].[Sta(3R,4R)].[meL]}$PEPTIDE971,PEPTIDE971,1:R1-6:R2$$$ | PEPTIDE971{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta(3R,4R)/">[Sta(3R,4R)]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE971,PEPTIDE971,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 971 | null | null | 2.99e+44 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.6 | -4.7 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -4.7 | null | null | null | null | null | -5.7 | null | null | 68.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['dP', 'Sta', 'meL', 'meL', 'Sta(3R,4R)', 'meL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 971 | null | 179.9 | 28.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
773368b486989b2b3a6bb3ff8d93d8d40006bcfce8f3a5398b78cc7997bacb6a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 971 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'Sta', 'meL', 'meL', 'Sta', 'Me_dL'] | 43 | 972 | -5.22 | -5.22 | Circle | 4 | -3.63e-16 | -2.752542044 | -3.78e-16 | -2.880891883 | -2.98e-16 | -1.140387798 | -3.09e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 124.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | null | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 123.0 | PEPTIDE972{[dP].[Sta].[meL].[meL].[Sta].[Me_dL]}$PEPTIDE972,PEPTIDE972,1:R1-6:R2$$$ | PEPTIDE972{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>}$PEPTIDE972,PEPTIDE972,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 972 | null | null | 6.11e+43 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.7 | -5.22 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -5.22 | null | null | null | null | null | null | null | null | 92.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['dP', 'Sta', 'meL', 'meL', 'Sta', 'Me_dL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 972 | null | 179.9 | 24.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
d8941d0813f48f2fe1c5f6b3bcf05f28185a2ff82a35b7a1d63e2aac21fb9fc1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 972 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'Sta(3R,4R)', 'meL', 'meL', 'Sta(3R,4R)', 'meL'] | 55 | 973 | -5.4 | -5.4 | Circle | 9 | -3.68e-16 | -2.752542044 | -3.79e-16 | -2.880891883 | -2.45e-16 | -1.140387798 | -3.04e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 135.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | null | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 134.0 | PEPTIDE973{[dP].[Sta(3R,4R)].[meL].[meL].[Sta(3R,4R)].[meL]}$PEPTIDE973,PEPTIDE973,1:R1-6:R2$$$ | PEPTIDE973{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Sta(3R,4R)/">[Sta(3R,4R)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta(3R,4R)/">[Sta(3R,4R)]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE973,PEPTIDE973,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 973 | null | null | 1.64e+44 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.8 | -5.4 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -5.4 | null | null | null | null | null | null | null | null | 26.0 | null | 2 | CC(C)C[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N1C | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['dP', 'Sta(3R,4R)', 'meL', 'meL', 'Sta(3R,4R)', 'meL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 973 | null | 179.9 | 16.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
dca817aeabec8120c9ee510023ba19228e43b58421190d6770ede2a61a3f5424 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 973 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'Sta', 'Me_dL', 'Me_dL', 'Sta', 'Me_dL'] | 46 | 974 | -5.52 | -5.52 | Circle | 3 | -3.64e-16 | -2.752542044 | -3.81e-16 | -2.880891883 | -3.26e-16 | -1.140387798 | -1.99e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 126.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | null | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 129.0 | PEPTIDE974{P.[Sta].[Me_dL].[Me_dL].[Sta].[Me_dL]}$PEPTIDE974,PEPTIDE974,1:R1-6:R2$$$ | PEPTIDE974{<a href="/monomers/P/">P</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>}$PEPTIDE974,PEPTIDE974,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 974 | null | null | 2.99e+44 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.9 | -5.52 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -5.52 | null | null | null | null | null | null | null | null | 26.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['P', 'Sta', 'Me_dL', 'Me_dL', 'Sta', 'Me_dL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 974 | null | 179.9 | 12.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
fe1f19b4a9bea0456bf499b3ce43d8826cea025c1618747bf5db77c72e45c20b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 974 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'Sta', 'Me_dL', 'Me_dL', 'Sta(3R,4R)', 'Me_dL'] | 54 | 975 | -5.15 | -5.15 | Circle | 4 | -3.64e-16 | -2.752542044 | -3.81e-16 | -2.880891883 | -3.26e-16 | -1.140387798 | -1.99e-16 | -0.249287787 | 5.13715504 | 4320.983137 | 125.0 | null | null | 108.3424168 | 102.9492679 | 26.9492679 | 56.10892465 | 51.1716257 | 13.46070193 | 9.257855447 | 9.257855447 | 5.38048698 | 5.38048698 | 3.284185276 | 3.284185276 | null | null | null | 61.0 | 296.699109 | 32.98037239 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 71.40032712 | 792.5724634 | 0.678571429 | 1.107142857 | 1.553571429 | 0.857142857 | 122.0 | PEPTIDE975{[dP].[Sta].[Me_dL].[Me_dL].[Sta(3R,4R)].[Me_dL]}$PEPTIDE975,PEPTIDE975,1:R1-6:R2$$$ | PEPTIDE975{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Sta(3R,4R)/">[Sta(3R,4R)]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>}$PEPTIDE975,PEPTIDE975,1:R1-6:R2$$$ | -3.26 | 56 | 716.496 | 975 | null | null | 2.99e+44 | 8.387744387 | 22.0413544 | 13.98605604 | 443.4540864 | null | 17.01686924 | 0.390451726 | 17.01686924 | 0.245554011 | 2.620366746 | 0.245554011 | -7.621392855 | -0.390451726 | 3.1741 | 216.793 | 793.104 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 8 | 4 | 14 | 0 | 25 | 0 | 2 | 2 | 322 | compd.10 | -5.15 | -0.278973919 | -0.04621331 | 40.43688201 | 24.07156987 | 2.823684157 | 38.30547769 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 68.51892117 | 74.08026274 | 115.152888 | 47.90773924 | null | -5.15 | null | null | null | null | null | -5.24 | null | null | 76.0 | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H]1O | 140.5031397 | 35.44307838 | 2.862399314 | 30.21926563 | 29.46978843 | 174.1426361 | 27.42434039 | 0.0 | 0 | 0.0 | null | null | null | null | ['dP', 'Sta', 'Me_dL', 'Me_dL', 'Sta(3R,4R)', 'Me_dL'] | [0.2794999999999998, 0.5703999999999998, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 49.33, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 143.8144642 | 28.7672231 | 29.46978843 | 224.5698613 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 975 | null | 179.9 | 25.0 | 670.1899121 | 0.0 | 88.32198342 | 1.526690643 | 0.0 | -61.24694569 | -44.0300141 | -75.52152426 | -83.2401021 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260641944 | null |
06a1133bcaba22e325342a7db6d945f6bcf55900f77a8d329b2e94108d7c30ed | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 975 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'Mono28', 'meL', 'meL', 'Sta(3R,4R)', 'meL'] | 50 | 976 | -5.52 | -5.52 | Circle | 6 | -3.92e-16 | -2.749291656 | -3.96e-16 | -2.875347003 | -3.16e-16 | -1.140044973 | -9.64e-17 | -0.249287787 | 5.203843937 | 4381.295539 | 115.0 | null | null | 108.2900105 | 103.0410196 | 27.04101961 | 56.08095655 | 51.30925326 | 13.50657778 | 9.303731301 | 9.303731301 | 5.402214097 | 5.402214097 | 3.307295427 | 3.307295427 | null | null | null | null | 302.7232344 | 30.23885528 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 74.08140313 | 788.5775488 | 0.803571429 | 1.375 | 1.946428571 | 0.813953488 | 111.0 | PEPTIDE976{P.[Mono28].[meL].[meL].[Sta(3R,4R)].[meL]}$PEPTIDE976,PEPTIDE976,1:R1-6:R2$$$ | PEPTIDE976{<a href="/monomers/P/">P</a>.<a href="/monomers/Mono28/">[Mono28]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta(3R,4R)/">[Sta(3R,4R)]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE976,PEPTIDE976,1:R1-6:R2$$$ | -3.48 | 56 | 712.508 | 976 | null | null | 8.01e+44 | 8.310033119 | 21.8813952 | 13.86682989 | 444.2485214 | null | 17.04687719 | 0.390451726 | 17.04687719 | 0.249167258 | 2.568599337 | 0.249167258 | -7.592830284 | -0.390451726 | 4.3694 | 219.9262 | 789.116 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 3 | 13 | 0 | 25 | 0 | 1 | 1 | 320 | compd.11 | -5.52 | 0.80047816 | -0.353221541 | 35.32807382 | 24.07156987 | 2.823684157 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 74.57099292 | 80.93215485 | 128.1146435 | 29.43690385 | null | -5.52 | null | null | null | null | null | null | null | null | 38.0 | null | 2 | C/C1=C\[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 136.7650901 | 35.44307838 | 1.431199657 | 30.21926563 | 29.46978843 | 168.5415853 | 27.42434039 | 11.62517628 | 0 | 0.0 | null | null | null | null | ['P', 'Mono28', 'meL', 'meL', 'Sta(3R,4R)', 'meL'] | [0.2794999999999998, 1.7657, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 29.1, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 131.1944384 | 28.7672231 | 29.46978843 | 226.4195871 | 11.62517628 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 976 | null | 159.67 | 13.0 | 669.9276764 | 0.0 | 88.64826498 | -2.064881617 | -4.183866756 | -60.51449289 | -47.66437972 | -60.78525932 | -88.77972774 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.296708681 | null |
73f1e1cfde1fc146518c59437d6ce5cf3f7ffba89c52d7e1f35ded32d7e51160 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 976 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'Mono29', 'meL', 'meL', 'Sta(3R,4R)', 'meL'] | 50 | 977 | -4.96 | -4.96 | Circle | 6 | -3.92e-16 | -2.749291656 | -3.96e-16 | -2.875347003 | -3.16e-16 | -1.140044973 | -9.64e-17 | -0.249287787 | 5.203843937 | 4381.295539 | 104.0 | null | null | 108.2900105 | 103.0410196 | 27.04101961 | 56.08095655 | 51.30925326 | 13.50657778 | 9.303731301 | 9.303731301 | 5.402214097 | 5.402214097 | 3.307295427 | 3.307295427 | null | null | null | 56.0 | 302.7232344 | 30.23885528 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 74.08140313 | 788.5775488 | 0.803571429 | 1.375 | 1.946428571 | 0.813953488 | 111.0 | PEPTIDE977{P.[Mono29].[meL].[meL].[Sta(3R,4R)].[meL]}$PEPTIDE977,PEPTIDE977,1:R1-6:R2$$$ | PEPTIDE977{<a href="/monomers/P/">P</a>.<a href="/monomers/Mono29/">[Mono29]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sta(3R,4R)/">[Sta(3R,4R)]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE977,PEPTIDE977,1:R1-6:R2$$$ | -3.48 | 56 | 712.508 | 977 | null | null | 8.01e+44 | 8.310033119 | 21.8813952 | 13.86682989 | 444.2485214 | null | 17.04687719 | 0.390451726 | 17.04687719 | 0.249167258 | 2.568599337 | 0.249167258 | -7.592830284 | -0.390451726 | 4.3694 | 219.9262 | 789.116 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 3 | 13 | 0 | 25 | 0 | 1 | 1 | 320 | compd.12 | -4.96 | 0.80047816 | -0.353221541 | 35.32807382 | 24.07156987 | 2.823684157 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 74.57099292 | 80.93215485 | 128.1146435 | 29.43690385 | null | -4.96 | null | null | null | null | null | -5.02 | null | null | 43.0 | null | 2 | C/C1=C\[C@@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 136.7650901 | 35.44307838 | 1.431199657 | 30.21926563 | 29.46978843 | 168.5415853 | 27.42434039 | 11.62517628 | 0 | 0.0 | null | null | null | null | ['P', 'Mono29', 'meL', 'meL', 'Sta(3R,4R)', 'meL'] | [0.2794999999999998, 1.7657, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 29.1, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 131.1944384 | 28.7672231 | 29.46978843 | 226.4195871 | 11.62517628 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 977 | null | 159.67 | 37.0 | 669.9276764 | 0.0 | 88.64826498 | -2.064881617 | -4.183866756 | -60.51449289 | -47.66437972 | -60.78525932 | -88.77972774 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.296708681 | null |
3235e8976a75e4afb391abdeff6fed3f02f78c77fc7ca86ea8ec64b0f0702616 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 977 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'Mono28', 'Me_dL', 'Me_dL', 'Sta', 'Me_dL'] | 49 | 978 | -5.52 | -5.52 | Circle | 2 | -3.92e-16 | -2.749291656 | -3.96e-16 | -2.875347003 | -3.16e-16 | -1.140044973 | -9.64e-17 | -0.249287787 | 5.203843937 | 4381.295539 | 99.0 | null | null | 108.2900105 | 103.0410196 | 27.04101961 | 56.08095655 | 51.30925326 | 13.50657778 | 9.303731301 | 9.303731301 | 5.402214097 | 5.402214097 | 3.307295427 | 3.307295427 | null | null | null | null | 302.7232344 | 30.23885528 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 74.08140313 | 788.5775488 | 0.803571429 | 1.375 | 1.946428571 | 0.813953488 | 99.0 | PEPTIDE978{P.[Mono28].[Me_dL].[Me_dL].[Sta].[Me_dL]}$PEPTIDE978,PEPTIDE978,1:R1-6:R2$$$ | PEPTIDE978{<a href="/monomers/P/">P</a>.<a href="/monomers/Mono28/">[Mono28]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>}$PEPTIDE978,PEPTIDE978,1:R1-6:R2$$$ | -3.48 | 56 | 712.508 | 978 | null | null | 8.01e+44 | 8.310033119 | 21.8813952 | 13.86682989 | 444.2485214 | null | 17.04687719 | 0.390451726 | 17.04687719 | 0.249167258 | 2.568599337 | 0.249167258 | -7.592830284 | -0.390451726 | 4.3694 | 219.9262 | 789.116 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 3 | 13 | 0 | 25 | 0 | 1 | 1 | 320 | compd.13 | -5.52 | 0.80047816 | -0.353221541 | 35.32807382 | 24.07156987 | 2.823684157 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 74.57099292 | 80.93215485 | 128.1146435 | 29.43690385 | null | -5.52 | null | null | null | null | null | -4.95 | null | null | 21.0 | null | 2 | C/C1=C\[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 136.7650901 | 35.44307838 | 1.431199657 | 30.21926563 | 29.46978843 | 168.5415853 | 27.42434039 | 11.62517628 | 0 | 0.0 | null | null | null | null | ['P', 'Mono28', 'Me_dL', 'Me_dL', 'Sta', 'Me_dL'] | [0.2794999999999998, 1.7657, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 29.1, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 131.1944384 | 28.7672231 | 29.46978843 | 226.4195871 | 11.62517628 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 978 | null | 159.67 | 11.0 | 669.9276764 | 0.0 | 88.64826498 | -2.064881617 | -4.183866756 | -60.51449289 | -47.66437972 | -60.78525932 | -88.77972774 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.296708681 | null |
8974c29fcfce1e5c5e3687396e14c7468400e492718b5ff8ca9566aa22b5a27a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 978 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'Mono29', 'Me_dL', 'Me_dL', 'Sta', 'Me_dL'] | 49 | 979 | -5.0 | -5 | Circle | 5 | -3.92e-16 | -2.749291656 | -3.96e-16 | -2.875347003 | -3.16e-16 | -1.140044973 | -9.64e-17 | -0.249287787 | 5.203843937 | 4381.295539 | 119.0 | null | null | 108.2900105 | 103.0410196 | 27.04101961 | 56.08095655 | 51.30925326 | 13.50657778 | 9.303731301 | 9.303731301 | 5.402214097 | 5.402214097 | 3.307295427 | 3.307295427 | null | null | null | 57.0 | 302.7232344 | 30.23885528 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 74.08140313 | 788.5775488 | 0.803571429 | 1.375 | 1.946428571 | 0.813953488 | 120.0 | PEPTIDE979{P.[Mono29].[Me_dL].[Me_dL].[Sta].[Me_dL]}$PEPTIDE979,PEPTIDE979,1:R1-6:R2$$$ | PEPTIDE979{<a href="/monomers/P/">P</a>.<a href="/monomers/Mono29/">[Mono29]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Sta/">[Sta]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>}$PEPTIDE979,PEPTIDE979,1:R1-6:R2$$$ | -3.48 | 56 | 712.508 | 979 | null | null | 8.01e+44 | 8.310033119 | 21.8813952 | 13.86682989 | 444.2485214 | null | 17.04687719 | 0.390451726 | 17.04687719 | 0.249167258 | 2.568599337 | 0.249167258 | -7.592830284 | -0.390451726 | 4.3694 | 219.9262 | 789.116 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 3 | 13 | 0 | 25 | 0 | 1 | 1 | 320 | compd.14 | -5.0 | 0.80047816 | -0.353221541 | 35.32807382 | 24.07156987 | 2.823684157 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 74.57099292 | 80.93215485 | 128.1146435 | 29.43690385 | null | -5.0 | null | null | null | null | null | -4.95 | null | null | 34.0 | null | 2 | C/C1=C\[C@@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 136.7650901 | 35.44307838 | 1.431199657 | 30.21926563 | 29.46978843 | 168.5415853 | 27.42434039 | 11.62517628 | 0 | 0.0 | null | null | null | null | ['P', 'Mono29', 'Me_dL', 'Me_dL', 'Sta', 'Me_dL'] | [0.2794999999999998, 1.7657, 1.1616, 1.1616, 0.5703999999999998, 1.1616] | [20.31, 29.1, 20.31, 20.31, 49.33, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 131.1944384 | 28.7672231 | 29.46978843 | 226.4195871 | 11.62517628 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 979 | null | 159.67 | 35.0 | 669.9276764 | 0.0 | 88.64826498 | -2.064881617 | -4.183866756 | -60.51449289 | -47.66437972 | -60.78525932 | -88.77972774 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.296708681 | null |
5a994afb74292b3634b666aea0d282b52667c007082c117189724e356aae3a4f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 979 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | 39 | 980 | -5.52 | -5.52 | Circle | 7 | -2.73e-16 | -2.736564284 | -2.23e-16 | -2.876464008 | -1.04e-16 | -1.136362017 | 1.69e-16 | -0.24928777 | 3.881438201 | 4121.809889 | 112.0 | null | null | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | 77.0 | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 113.0 | PEPTIDE980{L.[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE980,PEPTIDE980,1:R1-6:R2$$$ | PEPTIDE980{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE980,PEPTIDE980,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 980 | null | null | 5.2000000000000006e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.00766616 | 0.507966645 | 17.00766616 | 0.29309207 | 1.857455529 | 0.29309207 | -7.503943013 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | 1NMe3 | -5.52 | 2.143539337 | -1.009728356 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -5.52 | null | null | null | null | null | -5.31 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['Caco2', 'RRCK'], ['Caco2'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'RRCK']] | [25, 32, 999, 1018, 1027, 1030, 1056, 1827, 2328] | [['-5.31'], ['-5.31', '-5.31'], ['-4.75'], ['-4.50', '-4.96'], ['-4.40', '-4.70'], ['-6.00'], ['-6.24', '-4.80'], ['-6.40'], ['-5.52', '-4.88']] | ['2011_White', '2012_Rand', '2015_Hewitt', '2015_Lewis', '2015_Marelli', '2015_Nielsen', '2015_Wang', '2016_Hickey', '2018_Naylor'] | ['L', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Bockus_1 | 25 | null | 159.67 | 35.0 | 582.2023772 | 0.0 | 89.70782057 | -1.813002853 | -2.870125422 | -55.52934034 | -52.22939965 | -45.30761639 | -70.41071309 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
421ff043fae65de691ffd735dc097ce9d9b88d9d12d82fb9109e72c545589336 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 980 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | 78 | 981 | -5.96 | -5.96 | Circle | 1 | -3.72e-16 | -2.741631859 | -3.95e-16 | -2.890258212 | -2.31e-16 | -1.136047084 | 1.15e-16 | -0.249287767 | 8.516208569 | 6899.875158 | 171.0 | null | null | 161.0635132 | 151.818329 | 40.81832904 | 83.32454392 | 75.13118955 | 19.93408688 | 13.7037587 | 13.7037587 | 8.107632225 | 8.107632225 | 4.665881388 | 4.665881388 | null | null | null | null | 450.1857519 | 44.02860789 | 52.73990902 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 108.350367 | 1201.841368 | 0.564705882 | 1.082352941 | 1.588235294 | 0.790322581 | 161.0 | PEPTIDE981{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE981,PEPTIDE981,1:R1-11:R2$$$ | PEPTIDE981{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href=... | -6.13 | 85 | 1090.747 | 981 | null | null | 4.96e+74 | 13.26598462 | 34.87150528 | 21.65558178 | 664.6651694 | null | 18.025327 | 0.390126486 | 18.025327 | 0.245643649 | 3.146713736 | 0.245643649 | -8.388333089 | -0.390126486 | 3.269 | 328.4446 | 1202.635 | Circle | 11 | 11 | null | 5 | 23 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 12 | 5 | 23 | 0 | 40 | 0 | 1 | 1 | 486 | Cyclosporine A | null | -6.620415814 | -0.186784244 | 60.64742972 | 60.17892468 | 5.647368313 | 66.41017668 | 0.0 | 0.0 | 52.73990902 | 0.0 | 0.0 | 0.0 | 108.0306331 | 100.0509296 | 173.5698169 | 33.13825605 | null | -5.96 | null | null | null | null | null | -5.96 | null | null | null | null | 1 | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 208.7964925 | 64.97897702 | 1.431199657 | 55.53862153 | 41.2577038 | 220.9786581 | 55.32764799 | 12.10414349 | 0 | 0.0 | [['PAMPA'], ['RRCK'], ['PAMPA'], ['PAMPA'], ['RRCK'], ['PAMPA', 'RRCK'], ['PAMPA', 'Caco2'], ['PAMPA']] | [1, 22, 932, 1822, 1862, 2356, 7188, 7353] | [['-6.60'], ['-5.96'], ['-5.01'], ['-6.20'], ['-5.25'], ['-6.15', '-5.87'], ['-5.71', '-5.58'], ['-5.72']] | ['2006_Rezai_1', '2011_White', '2015_Ahlbach', '2016_Hickey', '2017_Price', '2018_Naylor', '2021_Lee', '2022_Lee'] | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | [0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54] | 21.23925341 | 0.0 | 0.0 | 0.0 | 227.4049437 | 52.73990902 | 41.2577038 | 300.0201224 | 12.10414349 | 5.647368313 | 0.0 | 0 | 2015_Bockus_1 | 1 | null | 278.8 | null | 992.9384945 | 0.0 | 165.6557411 | -9.339386785 | 0.0 | -108.5974979 | -85.82308579 | -51.24993928 | -163.1676591 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11 | 11 | 0 | 0 | 0 | 7 | 4 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.147924715 | null |
b14b9364b1075d9e7db11cb9965701bdee790963bcc95d42fc55fe27bc326417 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 981 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'A', 'F', 'P', 'I', 'P'] | 35 | 982 | -5.28 | -5.28 | Circle | 2 | -9.83e-17 | -2.695661453 | -1.07e-18 | -2.85157653 | 1.82e-16 | -1.128255388 | 3e-15 | -0.249283798 | 2.382318724 | 3818.060692 | 121.0 | null | -5.89 | 81.53856922 | 75.4882332 | 25.30472978 | 44.36739115 | 38.24955631 | 13.77719851 | 8.858883866 | 9.653830487 | 5.746774073 | 6.520170735 | 3.526661919 | 4.234275685 | null | null | null | null | 269.4110727 | 19.95504835 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 54.91250929 | 721.3621534 | 0.921568627 | 1.549019608 | 2.176470588 | 0.594594595 | 119.0 | PEPTIDE982{[Mono14].A.F.P.I.P}$PEPTIDE982,PEPTIDE982,1:R1-6:R2$$$ | PEPTIDE982{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE982,PEPTIDE982,1:R1-6:R2$$$ | -4.33 | 51 | 670.517 | 982 | null | null | 7.06e+29 | 9.417034836 | 16.7911939 | 8.594037774 | 375.123365 | null | 16.2886804 | 0.344797611 | 16.2886804 | 0.270901995 | 1.103614056 | 0.270901995 | -6.602162481 | -0.344797611 | 2.7188 | 192.3133 | 721.925 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 4 | 14 | 0 | 11 | 0 | 2 | 2 | 276 | cpd.1 (Sanguinamide A) | -5.28 | 5.638225555 | 0.87481262 | 31.03907287 | 40.79101403 | 5.647368313 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 70.36551181 | 49.69495859 | 72.69930815 | 22.46699514 | null | -5.28 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O | 98.84024356 | 46.77986425 | 0.0 | 36.0230514 | 11.78791537 | 114.9772897 | 12.99371937 | 51.83321113 | 0 | 0.0 | [['RRCK']] | [929] | [['-6.15']] | ['2014_Nielsen'] | ['Mono14', 'A', 'F', 'P', 'I', 'P'] | [2.2622, -0.2068000000000003, 1.0159999999999998, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 29.1, 29.1, 20.31, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 93.31005807 | 30.34561082 | 11.78791537 | 164.000095 | 35.56820795 | 5.647368313 | 0.0 | 0 | 2015_Bockus_2 | 929 | null | 169.91 | null | 447.0697119 | -1.103614056 | 93.3666735 | -12.68186067 | -4.758337255 | -34.662832 | -45.41627922 | -38.30491177 | -37.17521706 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.355670269 | null |
e728ae181bac5b91da28d107c86de134d9ee47725d3e5dc7250760986af66b81 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 982 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono30', 'A', 'F', 'P', 'I', 'P'] | 35 | 983 | -5.25 | -5.25 | Circle | 4 | -6.3e-17 | -2.693963273 | -1.78e-17 | -2.851369292 | 3.03e-16 | -1.135037936 | 3.76e-15 | -0.2492844 | 2.369188028 | 3802.060692 | 131.0 | null | -5.89 | 81.53856922 | 75.4882332 | 25.30472978 | 44.36739115 | 38.24955631 | 13.77719851 | 8.858883866 | 9.653830487 | 5.628372373 | 6.401769036 | 3.504445551 | 4.161028281 | null | null | null | null | 269.4110727 | 18.58428979 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 56.28326785 | 721.3621534 | 0.960784314 | 1.647058824 | 2.31372549 | 0.594594595 | 147.0 | PEPTIDE983{[Mono30].A.F.P.I.P}$PEPTIDE983,PEPTIDE983,1:R1-6:R2$$$ | PEPTIDE983{<a href="/monomers/Mono30/">[Mono30]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE983,PEPTIDE983,1:R1-6:R2$$$ | -4.33 | 51 | 670.517 | 983 | null | null | 4.55e+29 | 9.417034836 | 16.7911939 | 8.945963853 | 375.123365 | null | 16.26947088 | 0.345060204 | 16.26947088 | 0.270901993 | 1.079436051 | 0.270901993 | -6.591433984 | -0.345060204 | 2.7188 | 192.3133 | 721.925 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 4 | 14 | 0 | 11 | 0 | 2 | 2 | 276 | cpd.2 | -5.25 | 5.717119072 | 0.741756987 | 31.03907287 | 40.79101403 | 5.647368313 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 63.99258691 | 56.06788349 | 72.69930815 | 22.46699514 | null | -5.25 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O | 98.84024356 | 46.77986425 | 0.0 | 36.0230514 | 11.78791537 | 114.9772897 | 12.99371937 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono30', 'A', 'F', 'P', 'I', 'P'] | [2.2622, -0.2068000000000003, 1.0159999999999998, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 29.1, 29.1, 20.31, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 93.31005807 | 30.34561082 | 11.78791537 | 164.000095 | 35.56820795 | 5.647368313 | 0.0 | 0 | 2015_Bockus_2 | 983 | null | 169.91 | null | 446.5421075 | -1.079436051 | 93.25202851 | -12.57971182 | -4.735225719 | -34.29335598 | -45.27640232 | -38.54470834 | -36.95196248 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.355670269 | null |
8ef37d8f0c63db0dc68c99c1cfcd7b4503c933f4d0a39d3fc02139b367b8c207 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 983 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'A', 'F', 'P', 'L', 'P'] | 35 | 984 | -5.28 | -5.28 | Circle | 5 | -3.79e-17 | -2.690619605 | -8.41e-18 | -2.843775178 | 2.91e-16 | -1.133186272 | 5.71e-15 | -0.2492844 | 2.368596504 | 3802.060692 | 125.0 | null | -6.7 | 81.53856922 | 75.4882332 | 25.30472978 | 44.36739115 | 38.24955631 | 13.77719851 | 8.858883866 | 9.653830487 | 5.628372373 | 6.401769036 | 3.504445551 | 4.212059317 | null | null | null | null | 269.4110727 | 21.3258069 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 53.54175073 | 721.3621534 | 0.960784314 | 1.62745098 | 2.274509804 | 0.594594595 | 131.0 | PEPTIDE984{[Mono14].A.F.P.L.P}$PEPTIDE984,PEPTIDE984,1:R1-6:R2$$$ | PEPTIDE984{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>}$PEPTIDE984,PEPTIDE984,1:R1-6:R2$$$ | -4.33 | 51 | 670.517 | 984 | null | null | 1.42e+30 | 9.417034836 | 16.7911939 | 8.945963853 | 375.123365 | null | 16.19862938 | 0.344797611 | 16.19862938 | 0.270901995 | 1.09880492 | 0.270901995 | -6.531329148 | -0.344797611 | 2.7188 | 192.3133 | 721.925 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 4 | 14 | 0 | 11 | 0 | 2 | 2 | 276 | cpd.3 | -5.28 | 5.813935119 | 0.797203151 | 31.03907287 | 40.79101403 | 5.647368313 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 63.99258691 | 56.06788349 | 72.69930815 | 22.46699514 | null | -5.28 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc1n2 | 98.84024356 | 46.77986425 | 0.0 | 36.0230514 | 11.78791537 | 114.9772897 | 12.99371937 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'A', 'F', 'P', 'L', 'P'] | [2.2622, -0.2068000000000003, 1.0159999999999998, 0.2794999999999998, 0.8193999999999995, 0.2794999999999998] | [41.99, 29.1, 29.1, 20.31, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 93.31005807 | 30.34561082 | 11.78791537 | 164.000095 | 35.56820795 | 5.647368313 | 0.0 | 0 | 2015_Bockus_2 | 984 | null | 169.91 | null | 446.4544071 | -1.09880492 | 93.19355208 | -12.62819765 | -4.748715605 | -34.07007256 | -45.24776982 | -38.70285475 | -36.81821052 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.355670269 | null |
4862983e61dd56e8407009729bfa4134db56e26314b714229d4fa14054a2002b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 984 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono31', 'A', 'F', 'P', 'I', 'P'] | 35 | 985 | -5.32 | -5.32 | Circle | 6 | -3.32e-17 | -2.692431114 | 1.03e-17 | -2.85151544 | 2.93e-16 | -1.125714213 | 10.07103976 | -0.249273513 | 2.357789195 | 3690.471767 | 133.0 | null | -5.43 | 79.03856922 | 72.9882332 | 24.80472978 | 43.11739115 | 36.99955631 | 13.52719851 | 8.733883866 | 9.528830487 | 5.621774073 | 6.395170735 | 3.467461069 | 4.175074836 | null | null | null | null | 263.0381478 | 17.17244771 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 54.95359281 | 707.3465033 | 0.96 | 1.64 | 2.28 | 0.583333333 | 134.0 | PEPTIDE985{[Mono31].A.F.P.I.P}$PEPTIDE985,PEPTIDE985,1:R1-6:R2$$$ | PEPTIDE985{<a href="/monomers/Mono31/">[Mono31]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE985,PEPTIDE985,1:R1-6:R2$$$ | -4.33 | 50 | 658.506 | 985 | null | null | 8.86e+28 | 9.36036233 | 16.13139835 | 8.166918492 | 365.9484819 | null | 16.20159362 | 0.344808279 | 16.20159362 | 0.270901995 | 1.013903172 | 0.270901995 | -6.546687274 | -0.344808279 | 2.3287 | 187.6963 | 707.898 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 4 | 14 | 0 | 10 | 0 | 2 | 2 | 270 | cpd.4 | -5.32 | 6.240478325 | 1.182091327 | 31.03907287 | 40.79101403 | 5.647368313 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 63.99258691 | 49.69495859 | 69.95779103 | 22.46699514 | null | -5.32 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O | 96.09872645 | 46.77986425 | 0.0 | 36.0230514 | 11.78791537 | 108.6043648 | 12.99371937 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono31', 'A', 'F', 'P', 'I', 'P'] | [1.8721, -0.2068000000000003, 1.0159999999999998, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 29.1, 29.1, 20.31, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 93.31005807 | 30.34561082 | 11.78791537 | 154.885653 | 35.56820795 | 5.647368313 | 0.0 | 0 | 2015_Bockus_2 | 985 | null | 169.91 | null | 428.4984688 | -1.013903172 | 92.94022645 | -12.27193876 | -4.656222034 | -34.01386426 | -44.82822507 | -32.71661763 | -36.85459097 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.369841125 | null |
b151cfc7638732ce38eb0eedfb1fd4ff4d6cfc4246fcbf91dbf71dc2c38224e9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 985 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'A', 'F', 'P', 'V', 'P'] | 35 | 986 | -5.31 | -5.31 | Circle | 2 | -6.43e-17 | -2.684655513 | -5.06e-18 | -2.849160757 | 2.56e-16 | -1.128256344 | 10.09261273 | -0.249273513 | 2.345583565 | 3690.471767 | 139.0 | null | -6.52 | 79.03856922 | 72.9882332 | 24.80472978 | 43.11739115 | 36.99955631 | 13.52719851 | 8.733883866 | 9.528830487 | 5.621774073 | 6.395170735 | 3.467461069 | 4.175074836 | null | null | null | null | 263.0381478 | 18.58428979 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 53.54175073 | 707.3465033 | 0.96 | 1.64 | 2.28 | 0.583333333 | 142.0 | PEPTIDE986{[Mono14].A.F.P.V.P}$PEPTIDE986,PEPTIDE986,1:R1-6:R2$$$ | PEPTIDE986{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/P/">P</a>}$PEPTIDE986,PEPTIDE986,1:R1-6:R2$$$ | -4.33 | 50 | 658.506 | 986 | null | null | 1.29e+27 | 9.36036233 | 16.13139835 | 8.166918492 | 365.9484819 | null | 16.06206475 | 0.344797611 | 16.06206475 | 0.270901995 | 1.073442705 | 0.270901995 | -6.386537481 | -0.344797611 | 2.3287 | 187.6963 | 707.898 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 4 | 14 | 0 | 10 | 0 | 2 | 2 | 270 | cpd.5 | -5.31 | 6.355356561 | 1.17384714 | 31.03907287 | 40.79101403 | 5.647368313 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 63.99258691 | 49.69495859 | 69.95779103 | 22.46699514 | null | -5.31 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc1n2 | 96.09872645 | 46.77986425 | 0.0 | 36.0230514 | 11.78791537 | 108.6043648 | 12.99371937 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'A', 'F', 'P', 'V', 'P'] | [2.2622, -0.2068000000000003, 1.0159999999999998, 0.2794999999999998, 0.4292999999999995, 0.2794999999999998] | [41.99, 29.1, 29.1, 20.31, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 93.31005807 | 30.34561082 | 11.78791537 | 154.885653 | 35.56820795 | 5.647368313 | 0.0 | 0 | 2015_Bockus_2 | 986 | null | 169.91 | null | 428.1916313 | -1.073442705 | 92.82497386 | -12.41849758 | -4.696376265 | -33.92453919 | -44.72531238 | -32.18105195 | -36.91405171 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.369841125 | null |
35b5d31815da95ef6c1332de680f62bc10c07aaf2d913f6bd01afcd53b92720a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 987 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'A', 'F', 'P', 'T', 'P'] | 35 | 988 | -6.7 | -6.7 | Circle | 7 | -5.72e-17 | -2.682033015 | 2.84e-17 | -2.857858062 | 2.38e-16 | -1.128255161 | 10.1838213 | -0.249100895 | 2.313193106 | 3623.280837 | 147.0 | null | -6.4 | 77.245676 | 70.89648149 | 24.71297807 | 42.42805133 | 35.86192874 | 13.48132265 | 8.688008011 | 9.482954632 | 5.600046956 | 6.373443618 | 3.452520731 | 4.160134498 | null | null | null | null | 256.372316 | 17.17244771 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 10.09278671 | 52.2725168 | 709.3257678 | 1.02 | 1.72 | 2.36 | 0.571428571 | 158.0 | PEPTIDE988{[Mono14].A.F.P.T.P}$PEPTIDE988,PEPTIDE988,1:R1-6:R2$$$ | PEPTIDE988{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/P/">P</a>}$PEPTIDE988,PEPTIDE988,1:R1-6:R2$$$ | -4.37 | 50 | 662.494 | 988 | null | null | 1.57e+25 | 9.733752144 | 16.1051667 | 8.150754493 | 361.6545028 | null | 15.93852554 | 0.390716753 | 15.93852554 | 0.270901995 | 1.048056265 | 0.270901995 | -6.167787481 | -0.390716753 | 1.0535 | 184.5391 | 709.87 | Circle | 6 | 6 | null | 5 | 14 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 9 | 5 | 15 | 0 | 10 | 0 | 2 | 2 | 270 | cpd.7 | -6.7 | 5.919063891 | 1.675274602 | 36.14788107 | 40.79101403 | 5.647368313 | 30.9670983 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 50.28880267 | 50.65289302 | 64.47475681 | 29.91777173 | null | -6.7 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2csc1n2 | 97.09525897 | 46.77986425 | 1.431199657 | 36.0230514 | 5.893957685 | 107.8324907 | 12.99371937 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'A', 'F', 'P', 'T', 'P'] | [2.2622, -0.2068000000000003, 1.0159999999999998, 0.2794999999999998, -0.1918000000000002, 0.2794999999999998] | [41.99, 29.1, 29.1, 20.31, 38.33, 20.31] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 105.9300839 | 30.34561082 | 5.893957685 | 143.9214852 | 35.56820795 | 5.647368313 | 0.0 | 0 | 2015_Bockus_2 | 988 | null | 190.14 | null | 409.1982829 | -1.048056265 | 92.39254338 | -8.35000451 | -4.644852279 | -27.55748692 | -44.0950463 | -37.51854723 | -31.04349941 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.304589251 | null |
21b6631d1d9e41681f922f301453ad74c8c3c392acd25bdfe48619a9c44beed6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 988 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'meA', 'F', 'P', 'I', 'P'] | 37 | 989 | -6.3 | -6.3 | Circle | 1 | -5.88e-17 | -2.69566871 | -6.69e-17 | -2.850157129 | 1.95e-16 | -1.128255433 | 2.33e-15 | -0.249283798 | 2.430528881 | 3924.544477 | 123.0 | null | -6.7 | 84.03856922 | 77.9882332 | 25.80472978 | 45.57871602 | 39.52594951 | 14.0008053 | 9.082490663 | 9.877437285 | 5.960122718 | 6.73351938 | 3.627434542 | 4.335048308 | null | null | null | null | 275.976996 | 17.9431118 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 54.83034225 | 735.3778034 | 0.942307692 | 1.576923077 | 2.192307692 | 0.605263158 | 122.0 | PEPTIDE989{[Mono14].[meA].F.P.I.P}$PEPTIDE989,PEPTIDE989,1:R1-6:R2$$$ | PEPTIDE989{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE989,PEPTIDE989,1:R1-6:R2$$$ | -4.33 | 52 | 682.528 | 989 | null | null | 1.3299999999999998e+31 | 9.477118377 | 17.00013445 | 8.317991423 | 384.450163 | null | 16.34148199 | 0.344797611 | 16.34148199 | 0.273247775 | 1.19332494 | 0.273247775 | -6.642688862 | -0.344797611 | 3.061 | 196.9406 | 735.952 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 3 | 14 | 0 | 12 | 0 | 2 | 2 | 282 | cpd.8 | -6.3 | 5.660312919 | 0.887986874 | 30.62916925 | 40.79101403 | 4.235526235 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 70.36551181 | 49.69495859 | 83.78741071 | 22.46699514 | null | -6.3 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)c2csc(n2)[C@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O | 101.5406771 | 46.77986425 | 0.0 | 35.61314777 | 11.78791537 | 114.9772897 | 19.96954627 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'meA', 'F', 'P', 'I', 'P'] | [2.2622, 0.1353999999999999, 1.0159999999999998, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 20.31, 29.1, 20.31, 29.1, 20.31] | 15.92944006 | 0.0 | 0.0 | 11.33678588 | 105.1857947 | 30.34561082 | 11.78791537 | 168.1123706 | 35.56820795 | 4.235526235 | 0.0 | 0 | 2015_Bockus_2 | 989 | null | 161.12 | null | 465.7665846 | -1.19332494 | 92.64019302 | -11.39403459 | -4.988825295 | -35.36399173 | -46.32576802 | -38.69984351 | -42.85765621 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.411243148 | null |
20093abc169fc2826e7315391655d10f95d0aec96a7b733c61a8653986f3bc45 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 990 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'A', 'meF', 'P', 'I', 'P'] | 37 | 991 | -4.96 | -4.96 | Circle | 8 | -7.99e-17 | -2.695916798 | -3.55e-17 | -2.847069861 | 1.71e-16 | -1.128255628 | 3.08e-15 | -0.249283798 | 2.437645499 | 3924.544477 | 126.0 | null | -5.13 | 84.03856922 | 77.9882332 | 25.80472978 | 45.57871602 | 39.52594951 | 14.0008053 | 9.082490663 | 9.877437285 | 5.960122718 | 6.73351938 | 3.655385392 | 4.362999158 | null | null | null | null | 275.976996 | 21.3258069 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 56.24218433 | 735.3778034 | 0.942307692 | 1.576923077 | 2.192307692 | 0.605263158 | 125.0 | PEPTIDE991{[Mono14].A.[meF].P.I.P}$PEPTIDE991,PEPTIDE991,1:R1-6:R2$$$ | PEPTIDE991{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE991,PEPTIDE991,1:R1-6:R2$$$ | -4.33 | 52 | 682.528 | 991 | null | null | 2.1e+31 | 9.477118377 | 17.00013445 | 8.317991423 | 384.450163 | null | 16.41005676 | 0.344797611 | 16.41005676 | 0.270902115 | 1.15231776 | 0.270902115 | -6.668366185 | -0.344797611 | 3.061 | 196.9406 | 735.952 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 3 | 14 | 0 | 12 | 0 | 2 | 2 | 282 | cpd.10 | -4.96 | 5.628956807 | 0.952718983 | 30.62916925 | 40.79101403 | 4.235526235 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 70.36551181 | 49.69495859 | 83.78741071 | 22.46699514 | null | -4.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)c2csc(n2)[C@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O | 101.5406771 | 46.77986425 | 0.0 | 35.61314777 | 11.78791537 | 114.9772897 | 19.96954627 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'A', 'meF', 'P', 'I', 'P'] | [2.2622, -0.2068000000000003, 1.3581999999999996, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 29.1, 20.31, 20.31, 29.1, 20.31] | 15.92944006 | 0.0 | 0.0 | 11.33678588 | 105.1857947 | 30.34561082 | 11.78791537 | 168.1123706 | 35.56820795 | 4.235526235 | 0.0 | 0 | 2015_Bockus_2 | 991 | null | 161.12 | null | 466.4445832 | -1.15231776 | 92.33662071 | -10.94443874 | -4.965834421 | -35.39730772 | -46.63012476 | -38.87711491 | -43.23073228 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.411243148 | null |
9a527e8f51d33087246c8d0e2d9084c9c5cd02734dd7f842ea6a4f7bb95a0f9c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 991 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'A', 'meF', 'P', 'V', 'P'] | 37 | 992 | -5.04 | -5.04 | Circle | 4 | -7.95e-17 | -2.684723722 | -4.14e-17 | -2.8439782 | 2.56e-16 | -1.128256567 | 3.36e-15 | -0.249273589 | 2.402109724 | 3796.550917 | 112.0 | null | -5.17 | 81.53856922 | 75.4882332 | 25.30472978 | 44.32871602 | 38.27594951 | 13.7508053 | 8.957490663 | 9.752437285 | 5.835122718 | 6.60851938 | 3.596184542 | 4.303798308 | null | null | null | null | 269.6040711 | 21.3258069 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 53.50066721 | 721.3621534 | 0.980392157 | 1.666666667 | 2.294117647 | 0.594594595 | 112.0 | PEPTIDE992{[Mono14].A.[meF].P.V.P}$PEPTIDE992,PEPTIDE992,1:R1-6:R2$$$ | PEPTIDE992{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/P/">P</a>}$PEPTIDE992,PEPTIDE992,1:R1-6:R2$$$ | -4.33 | 51 | 670.517 | 992 | null | null | 1.9500000000000002e+29 | 9.417034836 | 16.3444614 | 8.262477149 | 375.2752799 | null | 16.32296998 | 0.344797611 | 16.32296998 | 0.270902115 | 1.122146408 | 0.270902115 | -6.452741185 | -0.344797611 | 2.6709 | 192.3236 | 721.925 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 3 | 14 | 0 | 11 | 0 | 2 | 2 | 276 | cpd.11 | -5.04 | 6.115422738 | 0.868805147 | 30.62916925 | 40.79101403 | 4.235526235 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 63.99258691 | 49.69495859 | 81.0458936 | 22.46699514 | null | -5.04 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)c2csc1n2 | 98.79916004 | 46.77986425 | 0.0 | 35.61314777 | 11.78791537 | 108.6043648 | 19.96954627 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'A', 'meF', 'P', 'V', 'P'] | [2.2622, -0.2068000000000003, 1.3581999999999996, 0.2794999999999998, 0.4292999999999995, 0.2794999999999998] | [41.99, 29.1, 20.31, 20.31, 29.1, 20.31] | 15.92944006 | 0.0 | 0.0 | 11.33678588 | 105.1857947 | 30.34561082 | 11.78791537 | 158.9979286 | 35.56820795 | 4.235526235 | 0.0 | 0 | 2015_Bockus_2 | 992 | null | 161.12 | null | 447.4854498 | -1.122146408 | 91.82642934 | -10.71258392 | -4.903873431 | -34.65901491 | -45.93915792 | -32.70612182 | -42.93564744 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.428107997 | null |
0e96a2731106f30d2959c0c06c35480e19ccd8a0b508dd79bdddd248cdcf972d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 994 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'L', 'F', 'P', 'I', 'P'] | 35 | 995 | -5.33 | -5.33 | Circle | 4 | -1.3e-16 | -2.695832529 | -7.12e-17 | -2.855437262 | 1.84e-16 | -1.133209975 | 2.27e-15 | -0.249284843 | 2.476636245 | 4137.710879 | 147.0 | null | -4.96 | 89.03856922 | 82.9882332 | 26.80472978 | 48.11739115 | 41.99955631 | 14.52719851 | 9.358883866 | 10.15383049 | 5.990175772 | 6.763572434 | 3.726480836 | 4.434094602 | null | null | null | null | 288.5298474 | 20.68462891 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 57.61294288 | 763.4091035 | 0.87037037 | 1.5 | 2.12962963 | 0.625 | 145.0 | PEPTIDE995{[Mono14].L.F.P.I.P}$PEPTIDE995,PEPTIDE995,1:R1-6:R2$$$ | PEPTIDE995{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE995,PEPTIDE995,1:R1-6:R2$$$ | -4.33 | 54 | 706.55 | 995 | null | null | 7.809999999999999e+33 | 9.606319626 | 18.33348552 | 9.477118377 | 402.6480144 | null | 16.43865051 | 0.344797611 | 16.43865051 | 0.270912051 | 1.259711664 | 0.270912051 | -6.713106082 | -0.344797611 | 3.745 | 206.0943 | 764.006 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 4 | 14 | 0 | 14 | 0 | 2 | 2 | 294 | cpd.14 | -5.33 | 4.653869027 | 0.881558134 | 31.03907287 | 40.79101403 | 5.647368313 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 84.06929604 | 55.10994905 | 80.92385948 | 22.46699514 | null | -5.33 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)c2csc(n2)[C@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O | 107.0647949 | 46.77986425 | 0.0 | 36.0230514 | 17.68187306 | 128.2021067 | 12.99371937 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'L', 'F', 'P', 'I', 'P'] | [2.2622, 0.8193999999999995, 1.0159999999999998, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 29.1, 29.1, 20.31, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 93.31005807 | 30.34561082 | 17.68187306 | 185.4494633 | 35.56820795 | 5.647368313 | 0.0 | 0 | 2015_Bockus_2 | 995 | null | 169.91 | null | 502.9336185 | -1.259711664 | 95.28434335 | -13.83404569 | -5.189961444 | -41.81753387 | -47.67090801 | -45.29922534 | -43.06324251 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.317638815 | null |
29f3fffab6944a2b9514aa98c8e9f98fb79c878f00eab511b2a7dc07d145c365 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 995 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'Tle', 'meF', 'P', 'I', 'P'] | 39 | 996 | -5.68 | -5.68 | Circle | 3 | -1.89e-16 | -2.719256767 | -8.64e-17 | -2.856741606 | 1.74e-16 | -1.128266602 | 1.75e-15 | -0.249283798 | 2.56341227 | 4217.808574 | 123.0 | null | -4.85 | 91.53856922 | 85.4882332 | 27.30472978 | 49.32871602 | 43.27594951 | 14.7508053 | 9.832490663 | 10.62743728 | 6.315327816 | 7.088724478 | 3.899637044 | 4.607250811 | null | null | null | null | 295.0957707 | 17.9431118 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 63.05489358 | 777.4247536 | 0.927272727 | 1.545454545 | 2.145454545 | 0.634146341 | 116.0 | PEPTIDE996{[Mono14].[Tle].[meF].P.I.P}$PEPTIDE996,PEPTIDE996,1:R1-6:R2$$$ | PEPTIDE996{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/Tle/">[Tle]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE996,PEPTIDE996,1:R1-6:R2$$$ | -4.33 | 55 | 718.561 | 996 | null | null | 4.3299999999999994e+35 | 9.674922711 | 17.6397222 | 9.215621811 | 411.9748123 | null | 16.80806023 | 0.344797611 | 16.80806023 | 0.270930525 | 1.328388361 | 0.270930525 | -6.789945327 | -0.344797611 | 4.0872 | 210.7216 | 778.033 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 3 | 14 | 0 | 11 | 0 | 2 | 2 | 300 | cpd.15 (danamide D) | -5.68 | 4.650961139 | 1.365375915 | 30.62916925 | 40.79101403 | 4.235526235 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 90.92118816 | 48.25805694 | 92.01196205 | 22.46699514 | null | -5.68 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)c2csc(n2)[C@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O | 109.7652285 | 46.77986425 | 0.0 | 35.61314777 | 17.20290584 | 128.6810739 | 19.96954627 | 51.83321113 | 0 | 0.0 | [['RRCK']] | [930] | [['-5.02']] | ['2014_Nielsen'] | ['Mono14', 'Tle', 'meF', 'P', 'I', 'P'] | [2.2622, 0.8193999999999995, 1.3581999999999996, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 29.1, 20.31, 20.31, 29.1, 20.31] | 15.92944006 | 0.0 | 0.0 | 11.33678588 | 105.1857947 | 30.34561082 | 17.20290584 | 190.0407062 | 35.56820795 | 4.235526235 | 0.0 | 0 | 2015_Bockus_2 | 930 | null | 161.12 | null | 524.462459 | -1.328388361 | 94.32408087 | -11.96022632 | -11.71376235 | -37.12601085 | -49.21460389 | -39.93994776 | -56.17026696 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.398561546 | null |
cb2ebf535c63f63e9842036c6fa205ed86a8c053372be2bb6dbb16b2d1155a3f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 996 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'I', 'meF', 'P', 'I', 'P'] | 37 | 997 | -5.82 | -5.82 | Circle | 2 | -1.02e-16 | -2.698276967 | -9.54e-17 | -2.852484557 | 1.09e-16 | -1.128255906 | 1.81e-15 | -0.249283799 | 2.55002307 | 4261.357449 | 119.0 | null | -4.67 | 91.53856922 | 85.4882332 | 27.30472978 | 49.32871602 | 43.27594951 | 14.7508053 | 9.582490663 | 10.37743728 | 6.321926117 | 7.095322779 | 3.877420677 | 4.585034443 | null | null | null | null | 295.0957707 | 19.31387035 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 61.68413503 | 777.4247536 | 0.854545455 | 1.418181818 | 2.0 | 0.634146341 | 122.0 | PEPTIDE997{[Mono14].I.[meF].P.I.P}$PEPTIDE997,PEPTIDE997,1:R1-6:R2$$$ | PEPTIDE997{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE997,PEPTIDE997,1:R1-6:R2$$$ | -4.33 | 55 | 718.561 | 997 | null | null | 6.579999999999999e+35 | 9.674922711 | 18.53647792 | 9.215621811 | 411.9748123 | null | 16.78168871 | 0.344797611 | 16.78168871 | 0.270921791 | 1.318401865 | 0.270921791 | -6.784627556 | -0.344797611 | 4.0872 | 210.7216 | 778.033 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 3 | 14 | 0 | 15 | 0 | 2 | 2 | 300 | cpd.16 | -5.82 | 4.48915617 | 1.070092548 | 30.62916925 | 40.79101403 | 4.235526235 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 90.44222095 | 48.73702415 | 92.01196205 | 22.46699514 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 109.7652285 | 46.77986425 | 0.0 | 35.61314777 | 17.68187306 | 128.2021067 | 19.96954627 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'I', 'meF', 'P', 'I', 'P'] | [2.2622, 0.8193999999999999, 1.3581999999999996, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 29.1, 20.31, 20.31, 29.1, 20.31] | 15.92944006 | 0.0 | 0.0 | 11.33678588 | 105.1857947 | 30.34561082 | 17.68187306 | 189.561739 | 35.56820795 | 4.235526235 | 0.0 | 0 | 2015_Bockus_2 | 997 | null | 161.12 | null | 523.5677342 | -1.318401865 | 94.15967891 | -11.89891824 | -5.428813525 | -43.24477954 | -49.04967872 | -45.62913217 | -49.82435571 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.364215735 | null |
3305b355e7f1ff9068c19ca6a5f540d81f8c4fd9ef7570b51089972a86489b16 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 997 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono14', 'L', 'meF', 'P', 'I', 'P'] | 37 | 998 | -4.76 | -4.76 | Circle | 5 | -1.42e-16 | -2.696768039 | -1.28e-16 | -2.849181348 | 1.25e-16 | -1.133189878 | 1.85e-15 | -0.249284843 | 2.537319389 | 4245.357449 | 118.0 | null | -4.71 | 91.53856922 | 85.4882332 | 27.30472978 | 49.32871602 | 43.27594951 | 14.7508053 | 9.582490663 | 10.37743728 | 6.203524417 | 6.976921079 | 3.855204309 | 4.562818075 | null | null | null | null | 295.0957707 | 20.68462891 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 60.31337647 | 777.4247536 | 0.909090909 | 1.545454545 | 2.163636364 | 0.634146341 | 118.0 | PEPTIDE998{[Mono14].L.[meF].P.I.P}$PEPTIDE998,PEPTIDE998,1:R1-6:R2$$$ | PEPTIDE998{<a href="/monomers/Mono14/">[Mono14]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>}$PEPTIDE998,PEPTIDE998,1:R1-6:R2$$$ | -4.33 | 55 | 718.561 | 998 | null | null | 9.26e+34 | 9.674922711 | 18.53647792 | 9.557958263 | 411.9748123 | null | 16.75531718 | 0.344797611 | 16.75531718 | 0.270912172 | 1.308415368 | 0.270912172 | -6.779309786 | -0.344797611 | 4.0872 | 210.7216 | 778.033 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 8 | 3 | 14 | 0 | 15 | 0 | 2 | 2 | 300 | cpd.17 | -4.76 | 4.620664072 | 0.960033103 | 30.62916925 | 40.79101403 | 4.235526235 | 29.53589865 | 5.907179729 | 0.0 | 28.7672231 | 4.983978521 | 0.0 | 11.33678588 | 84.06929604 | 55.10994905 | 92.01196205 | 22.46699514 | null | -4.76 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)c2csc(n2)[C@H]([C@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O | 109.7652285 | 46.77986425 | 0.0 | 35.61314777 | 17.68187306 | 128.2021067 | 19.96954627 | 51.83321113 | 0 | 0.0 | null | null | null | null | ['Mono14', 'L', 'meF', 'P', 'I', 'P'] | [2.2622, 0.8193999999999995, 1.3581999999999996, 0.2794999999999998, 0.8193999999999999, 0.2794999999999998] | [41.99, 29.1, 20.31, 20.31, 29.1, 20.31] | 15.92944006 | 0.0 | 0.0 | 11.33678588 | 105.1857947 | 30.34561082 | 17.68187306 | 189.561739 | 35.56820795 | 4.235526235 | 0.0 | 0 | 2015_Bockus_2 | 998 | null | 161.12 | null | 522.9563427 | -1.308415368 | 93.99527696 | -11.83761016 | -5.39745861 | -42.67743475 | -48.88475355 | -46.03392848 | -49.47868545 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.364215735 | null |
003d6e9af81169bed08615bb4a7a168e5c836d62996f4a05cd9d055398771c99 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 998 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meY', 'L', 'Me_dL', 'meL', 'L'] | 39 | 999 | -4.75 | -4.75 | Circle | 1 | -2.73e-16 | -2.736564284 | -2.23e-16 | -2.876464008 | -1.04e-16 | -1.136362017 | 1.69e-16 | -0.24928777 | 3.881438201 | 4121.809889 | 118.0 | null | -4.75 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 119.0 | PEPTIDE999{[dP].[meY].L.[Me_dL].[meL].L}$PEPTIDE999,PEPTIDE999,1:R1-6:R2$$$ | PEPTIDE999{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE999,PEPTIDE999,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 999 | null | null | 5.2000000000000006e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.00766616 | 0.507966645 | 17.00766616 | 0.29309207 | 1.857455529 | 0.29309207 | -7.503943013 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.1 | null | 2.143539337 | -1.009728356 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -4.75 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['Caco2', 'RRCK'], ['PAMPA', 'RRCK'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'RRCK']] | [25, 32, 980, 1018, 1027, 1030, 1056, 1827, 2328] | [['-5.31'], ['-5.31', '-5.31'], ['-5.52', '-5.31'], ['-4.50', '-4.96'], ['-4.40', '-4.70'], ['-6.00'], ['-6.24', '-4.80'], ['-6.40'], ['-5.52', '-4.88']] | ['2011_White', '2012_Rand', '2015_Bockus_1', '2015_Lewis', '2015_Marelli', '2015_Nielsen', '2015_Wang', '2016_Hickey', '2018_Naylor'] | ['dP', 'meY', 'L', 'Me_dL', 'meL', 'L'] | [0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995] | [20.31, 40.540000000000006, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 25 | null | 159.67 | null | 582.2023772 | 0.0 | 89.70782057 | -1.813002853 | -2.870125422 | -55.52934034 | -52.22939965 | -45.30761639 | -70.41071309 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
911685997d3d68a1abc0a4bcfd661957ca881b47ceb490c32d593edfc3a6f497 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 999 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'dL', 'dL', 'L', 'L', 'Y'] | 33 | 1000 | -6.59 | -6.59 | Circle | 5 | -1.73e-16 | -2.716331908 | -1.07e-16 | -2.894699619 | -1.19e-16 | -1.135790753 | 4.87e-16 | -0.24928777 | 3.601681759 | 3800.979834 | 168.0 | null | -6.59 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 20.76679595 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 712.4523483 | 0.745098039 | 1.137254902 | 1.529411765 | 0.684210526 | 167.0 | PEPTIDE1000{[dP].[dL].[dL].L.L.Y}$PEPTIDE1000,PEPTIDE1000,1:R1-6:R2$$$ | PEPTIDE1000{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1000,PEPTIDE1000,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1000 | null | null | 1.36e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.39634806 | 0.507966645 | 16.39634806 | 0.29309207 | 1.750209516 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | cpd.4.1 | null | 2.382597092 | -1.299474692 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -6.59 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['PAMPA']] | [2299, 2390] | [['-6.02'], ['-5.78']] | ['2018_Naylor', '2019_Ono'] | ['dP', 'dL', 'dL', 'L', 'L', 'Y'] | [0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996] | [20.31, 29.1, 29.1, 29.1, 29.1, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Hewitt | 1000 | null | 186.04 | null | 521.2544956 | 0.0 | 94.680909 | -9.345467517 | -2.683560143 | -52.34134458 | -49.12582522 | -43.08511177 | -49.35409542 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
d8f9d13d1491229365af21761d943cc78af5afbf6d24824b3d42cc17a4576966 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,000 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'dL', 'L', 'L', 'L', 'Y'] | 32 | 1001 | -6.37 | -6.37 | Circle | 8 | -1.71e-16 | -2.716331908 | -2.14e-16 | -2.894699619 | -1.58e-16 | -1.135790753 | 4.52e-16 | -0.24928777 | 3.601681759 | 3800.979834 | 167.0 | null | -6.37 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 20.76679595 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 712.4523483 | 0.745098039 | 1.137254902 | 1.529411765 | 0.684210526 | 165.0 | PEPTIDE1001{[dP].[dL].L.L.L.Y}$PEPTIDE1001,PEPTIDE1001,1:R1-6:R2$$$ | PEPTIDE1001{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1001,PEPTIDE1001,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1001 | null | null | 5.730000000000001e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.39634806 | 0.507966645 | 16.39634806 | 0.29309207 | 1.750209516 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | cpd.4.2 | null | 2.382597092 | -1.299474692 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -6.37 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['PAMPA']] | [2300, 2391] | [['-5.55'], ['-5.59']] | ['2018_Naylor', '2019_Ono'] | ['dP', 'dL', 'L', 'L', 'L', 'Y'] | [0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996] | [20.31, 29.1, 29.1, 29.1, 29.1, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Hewitt | 1001 | null | 186.04 | null | 521.2544956 | 0.0 | 94.680909 | -9.345467517 | -2.683560143 | -52.34134458 | -49.12582522 | -43.08511177 | -49.35409542 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
389402aa5ea52c1fd7efb1e15d30b203a69c649a7280feee6b5f4e137382e4ee | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,001 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'dL', 'L', 'dL', 'L', 'Y'] | 33 | 1002 | -6.84 | -6.84 | Circle | 7 | -1.73e-16 | -2.716331908 | -1.07e-16 | -2.894699619 | -1.19e-16 | -1.135790753 | 4.87e-16 | -0.24928777 | 3.601681759 | 3800.979834 | 164.0 | null | -6.84 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 20.76679595 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 712.4523483 | 0.745098039 | 1.137254902 | 1.529411765 | 0.684210526 | 159.0 | PEPTIDE1002{[dP].[dL].L.[dL].L.Y}$PEPTIDE1002,PEPTIDE1002,1:R1-6:R2$$$ | PEPTIDE1002{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1002,PEPTIDE1002,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1002 | null | null | 1.36e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.39634806 | 0.507966645 | 16.39634806 | 0.29309207 | 1.750209516 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | cpd.4.3 | null | 2.382597092 | -1.299474692 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -6.84 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['PAMPA']] | [2297, 2388] | [['-6.08'], ['-5.77']] | ['2018_Naylor', '2019_Ono'] | ['dP', 'dL', 'L', 'dL', 'L', 'Y'] | [0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996] | [20.31, 29.1, 29.1, 29.1, 29.1, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Hewitt | 1002 | null | 186.04 | null | 521.2544956 | 0.0 | 94.680909 | -9.345467517 | -2.683560143 | -52.34134458 | -49.12582522 | -43.08511177 | -49.35409542 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
d7526769de6ceed196b5c2cbff044396421eae13eb76b01ae78fe3a745291f86 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,003 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'dL', 'dL', 'dL', 'dL', 'Y'] | 35 | 1004 | -7.35 | -7.35 | Circle | 5 | -1.73e-16 | -2.716331908 | -1.07e-16 | -2.894699619 | -1.19e-16 | -1.135790753 | 4.87e-16 | -0.24928777 | 3.601681759 | 3800.979834 | 160.0 | null | -7.35 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 20.76679595 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 712.4523483 | 0.745098039 | 1.137254902 | 1.529411765 | 0.684210526 | 160.0 | PEPTIDE1004{[dP].[dL].[dL].[dL].[dL].Y}$PEPTIDE1004,PEPTIDE1004,1:R1-6:R2$$$ | PEPTIDE1004{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1004,PEPTIDE1004,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1004 | null | null | 1.36e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.39634806 | 0.507966645 | 16.39634806 | 0.29309207 | 1.750209516 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | cpd.4.5 | null | 2.382597092 | -1.299474692 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -7.35 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['PAMPA']] | [2296, 2387] | [['-6.31'], ['-5.54']] | ['2018_Naylor', '2019_Ono'] | ['dP', 'dL', 'dL', 'dL', 'dL', 'Y'] | [0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996] | [20.31, 29.1, 29.1, 29.1, 29.1, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Hewitt | 1004 | null | 186.04 | null | 521.2544956 | 0.0 | 94.680909 | -9.345467517 | -2.683560143 | -52.34134458 | -49.12582522 | -43.08511177 | -49.35409542 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
a34cea228ccdcb6b831033bef7e4ab8475a1ffcd8198f8b16e6be9fea9ef513c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,004 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'dL', 'L', 'dL', 'dL', 'Y'] | 34 | 1005 | -6.32 | -6.32 | Circle | 1 | -2.44e-16 | -2.716331908 | -1.7e-16 | -2.894699619 | -9.86e-17 | -1.135790753 | 2.76e-16 | -0.24928777 | 3.601681759 | 3800.979834 | 165.0 | null | -6.32 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 20.76679595 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 712.4523483 | 0.745098039 | 1.137254902 | 1.529411765 | 0.684210526 | 166.0 | PEPTIDE1005{[dP].[dL].L.[dL].[dL].Y}$PEPTIDE1005,PEPTIDE1005,1:R1-6:R2$$$ | PEPTIDE1005{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1005,PEPTIDE1005,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1005 | null | null | 5.85e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.39634806 | 0.507966645 | 16.39634806 | 0.29309207 | 1.750209516 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | cpd.4.6 | null | 2.382597092 | -1.299474692 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -6.32 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['PAMPA']] | [2298, 2389] | [['-5.71'], ['-5.31']] | ['2018_Naylor', '2019_Ono'] | ['dP', 'dL', 'L', 'dL', 'dL', 'Y'] | [0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996] | [20.31, 29.1, 29.1, 29.1, 29.1, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Hewitt | 1005 | null | 186.04 | null | 521.2544956 | 0.0 | 94.680909 | -9.345467517 | -2.683560143 | -52.34134458 | -49.12582522 | -43.08511177 | -49.35409542 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
94d94dd933a8d82933778a59f2dbc04e9650b28a26a78c49b8d4c9284e9d91f8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,005 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'dL', 'L', 'L', 'dL', 'Y'] | 33 | 1006 | -5.44 | -5.44 | Circle | 7 | -1.71e-16 | -2.716331908 | -2.14e-16 | -2.894699619 | -1.58e-16 | -1.135790753 | 4.52e-16 | -0.24928777 | 3.601681759 | 3800.979834 | 157.0 | null | -5.44 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 20.76679595 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 712.4523483 | 0.745098039 | 1.137254902 | 1.529411765 | 0.684210526 | 157.0 | PEPTIDE1006{[dP].[dL].L.L.[dL].Y}$PEPTIDE1006,PEPTIDE1006,1:R1-6:R2$$$ | PEPTIDE1006{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1006,PEPTIDE1006,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1006 | null | null | 5.730000000000001e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.39634806 | 0.507966645 | 16.39634806 | 0.29309207 | 1.750209516 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | cpd.4.7 | null | 2.382597092 | -1.299474692 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -5.44 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['PAMPA']] | [2302, 2393] | [['-4.71'], ['-5.11']] | ['2018_Naylor', '2019_Ono'] | ['dP', 'dL', 'L', 'L', 'dL', 'Y'] | [0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996] | [20.31, 29.1, 29.1, 29.1, 29.1, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Hewitt | 1006 | null | 186.04 | null | 521.2544956 | 0.0 | 94.680909 | -9.345467517 | -2.683560143 | -52.34134458 | -49.12582522 | -43.08511177 | -49.35409542 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
6faa0d239428607c648a51aa8039c9bf8e81b698e93504c3372cb5765a9061a1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,006 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'dL', 'dL', 'dL', 'L', 'Y'] | 34 | 1007 | -6.64 | -6.64 | Circle | 1 | -1.73e-16 | -2.716331908 | -1.07e-16 | -2.894699619 | -1.19e-16 | -1.135790753 | 4.87e-16 | -0.24928777 | 3.601681759 | 3800.979834 | 151.0 | null | -6.64 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 20.76679595 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 712.4523483 | 0.745098039 | 1.137254902 | 1.529411765 | 0.684210526 | 149.0 | PEPTIDE1007{[dP].[dL].[dL].[dL].L.Y}$PEPTIDE1007,PEPTIDE1007,1:R1-6:R2$$$ | PEPTIDE1007{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1007,PEPTIDE1007,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1007 | null | null | 1.36e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.39634806 | 0.507966645 | 16.39634806 | 0.29309207 | 1.750209516 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | cpd.4.8 | null | 2.382597092 | -1.299474692 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -6.64 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['PAMPA']] | [2295, 2386] | [['-6.44'], ['-5.64']] | ['2018_Naylor', '2019_Ono'] | ['dP', 'dL', 'dL', 'dL', 'L', 'Y'] | [0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996] | [20.31, 29.1, 29.1, 29.1, 29.1, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Hewitt | 1007 | null | 186.04 | null | 521.2544956 | 0.0 | 94.680909 | -9.345467517 | -2.683560143 | -52.34134458 | -49.12582522 | -43.08511177 | -49.35409542 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
32f28f9d5f126ba32b065f3d0bb3ee7bf9ff73d34b16e796a2ca1c878a70f165 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,007 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'L', 'Me_dL', 'meL', 'Y'] | 39 | 1008 | -4.7 | -4.7 | Circle | 8 | -2.28e-16 | -2.736833138 | -2.43e-16 | -2.876459461 | -8.39e-17 | -1.136337426 | 1.91e-16 | -0.24928777 | 3.881680494 | 4121.809889 | 113.0 | null | -4.7 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 114.0 | PEPTIDE1008{[dP].[meL].L.[Me_dL].[meL].Y}$PEPTIDE1008,PEPTIDE1008,1:R1-6:R2$$$ | PEPTIDE1008{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1008,PEPTIDE1008,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1008 | null | null | 1.2e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.02830958 | 0.507966645 | 17.02830958 | 0.29309207 | 1.847103948 | 0.29309207 | -7.503943013 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.1 | null | 2.135475611 | -1.005228056 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -4.7 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'L', 'Me_dL', 'meL', 'Y'] | [0.2794999999999998, 1.1616, 0.8193999999999995, 1.1616, 1.1616, 0.7215999999999996] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1008 | null | 159.67 | null | 582.1956941 | 0.0 | 89.64435544 | -1.747103917 | -2.840579595 | -55.55509612 | -52.15995269 | -45.28737627 | -70.499941 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
78910d0ea46fe73a24152e95208348d11c43e48377c7bf98f95a9021934478dd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,008 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'Me_dL', 'L', 'meL', 'Y'] | 39 | 1009 | -5.69 | -5.69 | Circle | 6 | -2.98e-16 | -2.735535191 | -2.49e-16 | -2.877690772 | -1.4e-16 | -1.136302887 | 3.53e-16 | -0.24928777 | 3.878306772 | 4121.809889 | 121.0 | null | -5.69 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 124.0 | PEPTIDE1009{[dP].[meL].[Me_dL].L.[meL].Y}$PEPTIDE1009,PEPTIDE1009,1:R1-6:R2$$$ | PEPTIDE1009{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1009,PEPTIDE1009,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1009 | null | null | 5.2500000000000004e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 16.92796747 | 0.507966645 | 16.92796747 | 0.29309207 | 1.84418799 | 0.29309207 | -7.41144753 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.2 | null | 2.188634498 | -1.008461975 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -5.69 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'Me_dL', 'L', 'meL', 'Y'] | [0.2794999999999998, 1.1616, 1.1616, 0.8193999999999995, 1.1616, 0.7215999999999996] | [20.31, 20.31, 20.31, 29.1, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1009 | null | 159.67 | null | 582.1346437 | 0.0 | 89.65979733 | -1.762556848 | -2.835256818 | -55.53310972 | -52.14431641 | -45.31305359 | -70.45614769 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
67e47e1dab4d76ac0694cb0e68695073cd1b2fa7cbe0a3273f768fa088cce633 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,009 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'Me_dL', 'L', 'Me_dL', 'Y'] | 41 | 1010 | -5.95 | -5.95 | Circle | 2 | -2.98e-16 | -2.735535191 | -2.49e-16 | -2.877690772 | -1.4e-16 | -1.136302887 | 3.53e-16 | -0.24928777 | 3.878306772 | 4121.809889 | 115.0 | null | -5.95 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 116.0 | PEPTIDE1010{[dP].[meL].[Me_dL].L.[Me_dL].Y}$PEPTIDE1010,PEPTIDE1010,1:R1-6:R2$$$ | PEPTIDE1010{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1010,PEPTIDE1010,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1010 | null | null | 5.2500000000000004e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 16.92796747 | 0.507966645 | 16.92796747 | 0.29309207 | 1.84418799 | 0.29309207 | -7.41144753 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.3 | null | 2.188634498 | -1.008461975 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -5.95 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'Me_dL', 'L', 'Me_dL', 'Y'] | [0.2794999999999998, 1.1616, 1.1616, 0.8193999999999995, 1.1616, 0.7215999999999996] | [20.31, 20.31, 20.31, 29.1, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1010 | null | 159.67 | null | 582.1346437 | 0.0 | 89.65979733 | -1.762556848 | -2.835256818 | -55.53310972 | -52.14431641 | -45.31305359 | -70.45614769 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
c703d623c953ba0fcdbdeca2f535536c06ed0f8688ab1b07895be6307451dcb9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,010 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'Me_dL', 'dL', 'meL', 'Y'] | 40 | 1011 | -6.26 | -6.26 | Circle | 8 | -2.4e-16 | -2.735535191 | -2.38e-16 | -2.877690772 | -9.03e-17 | -1.136302887 | 4.31e-16 | -0.24928777 | 3.878306772 | 4121.809889 | 110.0 | null | -6.26 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 110.0 | PEPTIDE1011{[dP].[meL].[Me_dL].[dL].[meL].Y}$PEPTIDE1011,PEPTIDE1011,1:R1-6:R2$$$ | PEPTIDE1011{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1011,PEPTIDE1011,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1011 | null | null | 4.6e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 16.92796747 | 0.507966645 | 16.92796747 | 0.29309207 | 1.84418799 | 0.29309207 | -7.41144753 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.4 | null | 2.188634498 | -1.008461975 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -6.26 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=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)N1C | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'Me_dL', 'dL', 'meL', 'Y'] | [0.2794999999999998, 1.1616, 1.1616, 0.8193999999999995, 1.1616, 0.7215999999999996] | [20.31, 20.31, 20.31, 29.1, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1011 | null | 159.67 | null | 582.1346437 | 0.0 | 89.65979733 | -1.762556848 | -2.835256818 | -55.53310972 | -52.14431641 | -45.31305359 | -70.45614769 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
8fa03423fee730287c0dcf392506acd7bccbf309d53a401c3a184eccc435012e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,011 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'Me_dL', 'dL', 'Me_dL', 'Y'] | 42 | 1012 | -6.36 | -6.36 | Circle | 3 | -2.72e-16 | -2.735535191 | -1.9e-16 | -2.877690772 | -5.65e-17 | -1.136302887 | 5.67e-16 | -0.24928777 | 3.878306772 | 4121.809889 | 102.0 | null | -6.36 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 106.0 | PEPTIDE1012{[dP].[meL].[Me_dL].[dL].[Me_dL].Y}$PEPTIDE1012,PEPTIDE1012,1:R1-6:R2$$$ | PEPTIDE1012{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1012,PEPTIDE1012,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1012 | null | null | 5.39e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 16.92796747 | 0.507966645 | 16.92796747 | 0.29309207 | 1.84418799 | 0.29309207 | -7.41144753 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.5 | null | 2.188634498 | -1.008461975 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -6.36 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@H]1C(=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](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N1C | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'Me_dL', 'dL', 'Me_dL', 'Y'] | [0.2794999999999998, 1.1616, 1.1616, 0.8193999999999995, 1.1616, 0.7215999999999996] | [20.31, 20.31, 20.31, 29.1, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1012 | null | 159.67 | null | 582.1346437 | 0.0 | 89.65979733 | -1.762556848 | -2.835256818 | -55.53310972 | -52.14431641 | -45.31305359 | -70.45614769 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
ec63d86184a7369185d7fc3eda2636114aef5533e65ab181a409c141f598e8e4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,012 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'Me_dL', 'meL', 'L', 'Y'] | 39 | 1013 | -6.42 | -6.42 | Circle | 1 | -2.76e-16 | -2.73962356 | -2.76e-16 | -2.878651156 | -1.46e-16 | -1.136447072 | 6.16e-16 | -0.24928777 | 3.88032273 | 4121.809889 | 117.0 | null | -6.42 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 119.0 | PEPTIDE1013{[dP].[meL].[Me_dL].[meL].L.Y}$PEPTIDE1013,PEPTIDE1013,1:R1-6:R2$$$ | PEPTIDE1013{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1013,PEPTIDE1013,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1013 | null | null | 3.18e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.01702104 | 0.507966645 | 17.01702104 | 0.29309207 | 1.831047072 | 0.29309207 | -7.527821892 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.6 | null | 2.111162989 | -1.010239428 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -6.42 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'Me_dL', 'meL', 'L', 'Y'] | [0.2794999999999998, 1.1616, 1.1616, 1.1616, 0.8193999999999995, 0.7215999999999996] | [20.31, 20.31, 20.31, 20.31, 29.1, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1013 | null | 159.67 | null | 582.2791203 | 0.0 | 89.50008426 | -1.603169689 | -2.808846486 | -55.55973756 | -52.07054173 | -45.29810477 | -70.68880438 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
d8dab6df753f0810e1e78563c6ff67300f36df4bbcc681aa3d3cc4aadb9231d6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,013 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'Me_dL', 'meL', 'dL', 'Y'] | 40 | 1014 | -4.63 | -4.63 | Circle | 6 | -2.91e-16 | -2.73962356 | -2.48e-16 | -2.878651156 | -9.02e-17 | -1.136447072 | 1.56e-16 | -0.24928777 | 3.88032273 | 4121.809889 | 103.0 | null | -4.63 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 103.0 | PEPTIDE1014{[dP].[meL].[Me_dL].[meL].[dL].Y}$PEPTIDE1014,PEPTIDE1014,1:R1-6:R2$$$ | PEPTIDE1014{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1014,PEPTIDE1014,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1014 | null | null | 3.9e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.01702104 | 0.507966645 | 17.01702104 | 0.29309207 | 1.831047072 | 0.29309207 | -7.527821892 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.7 | null | 2.111162989 | -1.010239428 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -4.63 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'Me_dL', 'meL', 'dL', 'Y'] | [0.2794999999999998, 1.1616, 1.1616, 1.1616, 0.8193999999999995, 0.7215999999999996] | [20.31, 20.31, 20.31, 20.31, 29.1, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1014 | null | 159.67 | null | 582.2791203 | 0.0 | 89.50008426 | -1.603169689 | -2.808846486 | -55.55973756 | -52.07054173 | -45.29810477 | -70.68880438 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
c76029c5356854aa9a4857bb31f8d5db2e6e97bc361e05268082904321393c09 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,014 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'Me_dL', 'Me_dL', 'L', 'Y'] | 41 | 1015 | -5.67 | -5.67 | Circle | 6 | -2.76e-16 | -2.73962356 | -2.76e-16 | -2.878651156 | -1.46e-16 | -1.136447072 | 6.16e-16 | -0.24928777 | 3.88032273 | 4121.809889 | 116.0 | null | -5.67 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 119.0 | PEPTIDE1015{[dP].[meL].[Me_dL].[Me_dL].L.Y}$PEPTIDE1015,PEPTIDE1015,1:R1-6:R2$$$ | PEPTIDE1015{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1015,PEPTIDE1015,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1015 | null | null | 3.18e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.01702104 | 0.507966645 | 17.01702104 | 0.29309207 | 1.831047072 | 0.29309207 | -7.527821892 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.8 | null | 2.111162989 | -1.010239428 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -5.67 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'Me_dL', 'Me_dL', 'L', 'Y'] | [0.2794999999999998, 1.1616, 1.1616, 1.1616, 0.8193999999999995, 0.7215999999999996] | [20.31, 20.31, 20.31, 20.31, 29.1, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1015 | null | 159.67 | null | 582.2791203 | 0.0 | 89.50008426 | -1.603169689 | -2.808846486 | -55.55973756 | -52.07054173 | -45.29810477 | -70.68880438 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
b343c3a9516594d8260ed81843321a070952450d7ef830186fb5538bc3a63e93 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,015 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'Me_dL', 'Me_dL', 'dL', 'Y'] | 42 | 1016 | -4.79 | -4.79 | Circle | 8 | -2.5e-16 | -2.73962356 | -1.93e-16 | -2.878651156 | -5.85e-17 | -1.136447072 | 2.3e-16 | -0.24928777 | 3.88032273 | 4121.809889 | 115.0 | null | -4.79 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.796296296 | 0.707317073 | 125.0 | PEPTIDE1016{[dP].[meL].[Me_dL].[Me_dL].[dL].Y}$PEPTIDE1016,PEPTIDE1016,1:R1-6:R2$$$ | PEPTIDE1016{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1016,PEPTIDE1016,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1016 | null | null | 5.5e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.01702104 | 0.507966645 | 17.01702104 | 0.29309207 | 1.831047072 | 0.29309207 | -7.527821892 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | cpd.6.9 | null | 2.111162989 | -1.010239428 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -4.79 | null | null | null | null | null | null | null | null | null | null | 3 | 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@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N1C | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dP', 'meL', 'Me_dL', 'Me_dL', 'dL', 'Y'] | [0.2794999999999998, 1.1616, 1.1616, 1.1616, 0.8193999999999995, 0.7215999999999996] | [20.31, 20.31, 20.31, 20.31, 29.1, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Hewitt | 1016 | null | 159.67 | null | 582.2791203 | 0.0 | 89.50008426 | -1.603169689 | -2.808846486 | -55.55973756 | -52.07054173 | -45.29810477 | -70.68880438 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
d145da72810fd6e4ac007630e2196583cb70f137868be6e375cfb08500197d53 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,016 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'L', 'L', 'dP', 'Y'] | 32 | 1017 | -6.55 | -6.55 | Circle | 2 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 148.0 | null | null | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | a low permeability at pH = 6.8 of <-6.55 logPe was measured in the PAMPA assay | null | null | 267.9803495 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 59.00305902 | 712.4523483 | 0.745098039 | 1.156862745 | 1.607843137 | 0.684210526 | 147.0 | PEPTIDE1017{L.[dL].L.L.[dP].Y}$PEPTIDE1017,PEPTIDE1017,1:R1-6:R2$$$ | PEPTIDE1017{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1017,PEPTIDE1017,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1017 | null | null | 2.9e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | -5.7 | 16.3125436 | 0.507966645 | 16.3125436 | 0.29309207 | 1.737066725 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | Non-methylated cyclohexapeptide (1) | -6.55 | 2.44360442 | -1.286946541 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | 186.0 | -6.55 | null | null | null | null | null | null | null | 80.0 | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['PAMPA'], ['RRCK'], ['PAMPA', 'Caco2'], ['PAMPA', 'RRCK'], ['PAMPA'], ['PAMPA', 'Caco2']] | [10, 23, 1049, 2346, 2456, 7452] | [['-8.10'], ['-5.74'], ['-5.91', '-5.91'], ['-5.64', '-5.87'], ['-6.52'], ['-5.60', '-5.18']] | ['2006_Rezai_1', '2011_White', '2015_Wang', '2018_Naylor', '2020_Hosono', '2023_Ghosh'] | ['L', 'dL', 'L', 'L', 'dP', 'Y'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Lewis | 10 | null | 186.04 | null | 521.3100972 | 0.0 | 94.60777993 | -9.276643065 | -2.655514009 | -52.36769241 | -49.04933642 | -43.10535189 | -49.46333938 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
c217a837351846af3338c80eeafd7e62f24cb00d5091cd1c6cb2e59a0fde8536 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,017 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | 39 | 1018 | -4.5 | -4.5 | Circle | 9 | -2.73e-16 | -2.736564284 | -2.23e-16 | -2.876464008 | -1.04e-16 | -1.136362017 | 1.69e-16 | -0.24928777 | 3.881438201 | 4121.809889 | 107.0 | null | null | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 109.0 | PEPTIDE1018{L.[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE1018,PEPTIDE1018,1:R1-6:R2$$$ | PEPTIDE1018{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1018,PEPTIDE1018,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1018 | null | null | 5.2000000000000006e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | -4.96 | 17.00766616 | 0.507966645 | 17.00766616 | 0.29309207 | 1.857455529 | 0.29309207 | -7.503943013 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | Tri-N-Methylated cyclohexapeptide (2) | -4.5 | 2.143539337 | -1.009728356 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | 160.0 | -4.5 | null | null | null | null | null | null | null | 75.0 | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['Caco2', 'RRCK'], ['PAMPA', 'RRCK'], ['Caco2'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'RRCK']] | [25, 32, 980, 999, 1027, 1030, 1056, 1827, 2328] | [['-5.31'], ['-5.31', '-5.31'], ['-5.52', '-5.31'], ['-4.75'], ['-4.40', '-4.70'], ['-6.00'], ['-6.24', '-4.80'], ['-6.40'], ['-5.52', '-4.88']] | ['2011_White', '2012_Rand', '2015_Bockus_1', '2015_Hewitt', '2015_Marelli', '2015_Nielsen', '2015_Wang', '2016_Hickey', '2018_Naylor'] | ['L', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Lewis | 25 | null | 159.67 | null | 582.2023772 | 0.0 | 89.70782057 | -1.813002853 | -2.870125422 | -55.52934034 | -52.22939965 | -45.30761639 | -70.41071309 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
9d2695463ed6fe3599f16b7b9c6c4b3340e50d3893f51af94cff59eb376d2af0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,018 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'A', 'A', 'A', 'A', 'meA'] | 36 | 1019 | -8.3 | -8.3 | Circle | 5 | -2.97e-17 | -2.647378053 | -6.52e-17 | -2.870788908 | -2.81e-17 | -1.017613109 | 1.12e-15 | -0.246798891 | 5.408609071 | 1958.372713 | 153.0 | null | -6.82 | 53.92820323 | 49.13277132 | 15.13277132 | 28.31495458 | 24.14409442 | 7.35524004 | 5.040590162 | 5.040590162 | 2.922246851 | 2.922246851 | 1.415452459 | 1.415452459 | null | null | null | null | 157.6525126 | 28.7672231 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 46.770125 | 454.2539828 | 0.59375 | 1.0 | 1.40625 | 0.7 | 153.0 | PEPTIDE1019{[Me_dA].A.A.A.A.[meA]}$PEPTIDE1019,PEPTIDE1019,1:R1-6:R2$$$ | PEPTIDE1019{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>}$PEPTIDE1019,PEPTIDE1019,1:R1-6:R2$$$ | -3.18 | 32 | 420.256 | 1019 | null | null | 1400000000000.0 | 5.652132883 | 10.91393459 | 6.408766604 | 235.3567923 | null | 14.58084087 | 0.342816103 | 14.58084087 | 0.244989426 | 1.878851251 | 0.244989426 | -5.721024122 | -0.342816103 | -2.2874 | 114.8828 | 454.528 | Circle | 6 | 6 | null | 4 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 4 | 12 | 0 | 8 | 0 | 1 | 1 | 180 | NMe(1,6)CHA (1) | -8.3 | 7.268106786 | -1.288474184 | 31.03907287 | 36.10735481 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 0.0 | 41.1113527 | 46.84985915 | 8.224551337 | null | -8.3 | null | null | null | null | null | null | null | null | null | null | 1 | C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC1=O | 75.5373481 | 35.44307838 | 0.0 | 31.03907287 | 0.0 | 77.21870751 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | ['Me_dA', 'A', 'A', 'A', 'A', 'meA'] | [0.1353999999999999, -0.2068000000000003, -0.2068000000000003, -0.2068000000000003, -0.2068000000000003, 0.1353999999999999] | [20.31, 29.1, 29.1, 29.1, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 95.30190645 | 28.7672231 | 0.0 | 82.23410939 | 0.0 | 5.647368313 | 0.0 | 0 | 2015_Marelli | 1019 | null | 157.02 | null | 272.8669631 | 0.0 | 81.33161451 | -7.652388475 | 0.0 | -21.46412505 | -33.01052083 | 0.0 | -40.57154326 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.32276337 | null |
a3c686f3d32fb52afb181d5ecf4affd667aec2d11c5e0b1aa4368a1e4f7d3e57 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,019 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'dA', 'dA', 'dA', 'dA', 'Me_dA'] | 40 | 1020 | -8.2 | -8.2 | Circle | 6 | -7.73e-17 | -2.647378053 | -1.22e-16 | -2.870788908 | 2.7e-18 | -1.017613109 | 1.51e-15 | -0.246798891 | 5.408609071 | 1958.372713 | 130.0 | null | -5.62 | 53.92820323 | 49.13277132 | 15.13277132 | 28.31495458 | 24.14409442 | 7.35524004 | 5.040590162 | 5.040590162 | 2.922246851 | 2.922246851 | 1.415452459 | 1.415452459 | null | null | null | null | 157.6525126 | 28.7672231 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 46.770125 | 454.2539828 | 0.59375 | 1.0 | 1.40625 | 0.7 | 131.0 | PEPTIDE1020{[meA].[dA].[dA].[dA].[dA].[Me_dA]}$PEPTIDE1020,PEPTIDE1020,1:R1-6:R2$$$ | PEPTIDE1020{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>}$PEPTIDE1020,PEPTIDE1020,1:R1-6:R2$$$ | -3.18 | 32 | 420.256 | 1020 | null | null | 1400000000000.0 | 5.652132883 | 10.91393459 | 6.408766604 | 235.3567923 | null | 14.58084087 | 0.342816103 | 14.58084087 | 0.244989426 | 1.878851251 | 0.244989426 | -5.721024122 | -0.342816103 | -2.2874 | 114.8828 | 454.528 | Circle | 6 | 6 | null | 4 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 4 | 12 | 0 | 8 | 0 | 1 | 1 | 180 | NMe(1,6)CHA* (1*) | -8.2 | 7.268106786 | -1.288474184 | 31.03907287 | 36.10735481 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 0.0 | 41.1113527 | 46.84985915 | 8.224551337 | null | -8.2 | null | null | null | null | null | null | null | null | null | null | 1 | C[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@H](C)C(=O)N1C | 75.5373481 | 35.44307838 | 0.0 | 31.03907287 | 0.0 | 77.21870751 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | ['meA', 'dA', 'dA', 'dA', 'dA', 'Me_dA'] | [0.1353999999999999, -0.2068000000000003, -0.2068000000000003, -0.2068000000000003, -0.2068000000000003, 0.1353999999999999] | [20.31, 29.1, 29.1, 29.1, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 95.30190645 | 28.7672231 | 0.0 | 82.23410939 | 0.0 | 5.647368313 | 0.0 | 0 | 2015_Marelli | 1020 | null | 157.02 | null | 272.8669631 | 0.0 | 81.33161451 | -7.652388475 | 0.0 | -21.46412505 | -33.01052083 | 0.0 | -40.57154326 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.32276337 | null |
81bc404a7575af26dd38980a8a8b28a54c93615cab9726cea6480e4f19693eca | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,020 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'A', 'A', 'A', 'meA', 'A'] | 36 | 1021 | -8.2 | -8.2 | Circle | 6 | -9.17e-17 | -2.64135625 | -9.2e-17 | -2.869780413 | -2.18e-18 | -1.014939906 | 1.62e-15 | -0.246794976 | 5.395693454 | 1958.372713 | 152.0 | null | -6.76 | 53.92820323 | 49.13277132 | 15.13277132 | 28.31495458 | 24.14409442 | 7.35524004 | 5.040590162 | 5.040590162 | 2.922246851 | 2.922246851 | 1.415452459 | 1.415452459 | null | null | null | null | 157.6525126 | 28.7672231 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 46.770125 | 454.2539828 | 0.59375 | 0.9375 | 1.28125 | 0.7 | 145.0 | PEPTIDE1021{[Me_dA].A.A.A.[meA].A}$PEPTIDE1021,PEPTIDE1021,1:R1-6:R2$$$ | PEPTIDE1021{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1021,PEPTIDE1021,1:R1-6:R2$$$ | -3.18 | 32 | 420.256 | 1021 | null | null | 1400000000000.0 | 5.652132883 | 10.91393459 | 6.408766604 | 235.3567923 | null | 14.39684202 | 0.342816103 | 14.39684202 | 0.244773808 | 1.899860348 | 0.244773808 | -5.60464976 | -0.342816103 | -2.2874 | 114.8828 | 454.528 | Circle | 6 | 6 | null | 4 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 4 | 12 | 0 | 8 | 0 | 1 | 1 | 180 | NMe(1,5)CHA (2) | -8.2 | 7.333603184 | -1.27190492 | 31.03907287 | 36.10735481 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 0.0 | 41.1113527 | 46.84985915 | 8.224551337 | null | -8.2 | null | null | null | null | null | null | null | null | null | null | 1 | C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC1=O | 75.5373481 | 35.44307838 | 0.0 | 31.03907287 | 0.0 | 77.21870751 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | ['Me_dA', 'A', 'A', 'A', 'meA', 'A'] | [0.1353999999999999, -0.2068000000000003, -0.2068000000000003, -0.2068000000000003, 0.1353999999999999, -0.2068000000000003] | [20.31, 29.1, 29.1, 29.1, 20.31, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 95.30190645 | 28.7672231 | 0.0 | 82.23410939 | 0.0 | 5.647368313 | 0.0 | 0 | 2015_Marelli | 1021 | null | 157.02 | null | 272.7485202 | 0.0 | 81.42657979 | -7.747353753 | 0.0 | -21.46412505 | -33.01052083 | 0.0 | -40.45310033 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.32276337 | null |
e7fa71a6a6038c8febdcb9036005af2d7722b1b8d2ab0bc498fac69936192193 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,021 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'dA', 'dA', 'dA', 'Me_dA', 'dA'] | 40 | 1022 | -8.3 | -8.3 | Circle | 3 | -8.81e-17 | -2.64135625 | -1.7e-17 | -2.869780413 | -5.8e-17 | -1.014939906 | 1.65e-15 | -0.246794976 | 5.395693454 | 1958.372713 | 141.0 | null | -5.44 | 53.92820323 | 49.13277132 | 15.13277132 | 28.31495458 | 24.14409442 | 7.35524004 | 5.040590162 | 5.040590162 | 2.922246851 | 2.922246851 | 1.415452459 | 1.415452459 | null | null | null | null | 157.6525126 | 28.7672231 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 46.770125 | 454.2539828 | 0.59375 | 0.9375 | 1.28125 | 0.7 | 142.0 | PEPTIDE1022{[meA].[dA].[dA].[dA].[Me_dA].[dA]}$PEPTIDE1022,PEPTIDE1022,1:R1-6:R2$$$ | PEPTIDE1022{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dA/">[dA]</a>}$PEPTIDE1022,PEPTIDE1022,1:R1-6:R2$$$ | -3.18 | 32 | 420.256 | 1022 | null | null | 1400000000000.0 | 5.652132883 | 10.91393459 | 6.408766604 | 235.3567923 | null | 14.39684202 | 0.342816103 | 14.39684202 | 0.244773808 | 1.899860348 | 0.244773808 | -5.60464976 | -0.342816103 | -2.2874 | 114.8828 | 454.528 | Circle | 6 | 6 | null | 4 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 4 | 12 | 0 | 8 | 0 | 1 | 1 | 180 | NMe(1,5)CHA* (2*) | -8.3 | 7.333603184 | -1.27190492 | 31.03907287 | 36.10735481 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 0.0 | 41.1113527 | 46.84985915 | 8.224551337 | null | -8.3 | null | null | null | null | null | null | null | null | null | null | 1 | C[C@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@H](C)C(=O)N[C@H](C)C(=O)N1C | 75.5373481 | 35.44307838 | 0.0 | 31.03907287 | 0.0 | 77.21870751 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | ['meA', 'dA', 'dA', 'dA', 'Me_dA', 'dA'] | [0.1353999999999999, -0.2068000000000003, -0.2068000000000003, -0.2068000000000003, 0.1353999999999999, -0.2068000000000003] | [20.31, 29.1, 29.1, 29.1, 20.31, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 95.30190645 | 28.7672231 | 0.0 | 82.23410939 | 0.0 | 5.647368313 | 0.0 | 0 | 2015_Marelli | 1022 | null | 157.02 | null | 272.7485202 | 0.0 | 81.42657979 | -7.747353753 | 0.0 | -21.46412505 | -33.01052083 | 0.0 | -40.45310033 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.32276337 | null |
2a473318327de5f3c911319fcaba8471f6603d719b10b197dff6ee8af30b4462 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,022 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'meA', 'A', 'meA', 'meA', 'A'] | 40 | 1023 | -7.0 | -7 | Circle | 9 | -1.07e-16 | -2.661168589 | -1.2e-16 | -2.858253088 | -3.21e-17 | -1.01902049 | 1e-15 | -0.24679929 | 5.742366974 | 1991.234166 | 105.0 | null | -6.1 | 58.92820323 | 54.13277132 | 16.13277132 | 30.73760431 | 26.69688083 | 7.802453635 | 5.487803757 | 5.487803757 | 3.348944141 | 3.348944141 | 1.616997705 | 1.616997705 | null | null | null | null | 170.7843591 | 28.7672231 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 52.17099218 | 482.2852829 | 0.558823529 | 0.882352941 | 1.147058824 | 0.727272727 | 107.0 | PEPTIDE1023{[Me_dA].[meA].A.[meA].[meA].A}$PEPTIDE1023,PEPTIDE1023,1:R1-6:R2$$$ | PEPTIDE1023{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1023,PEPTIDE1023,1:R1-6:R2$$$ | -3.18 | 34 | 444.278 | 1023 | null | null | 12000000000000.0 | 5.78653489 | 11.29881176 | 6.029973398 | 254.0103882 | null | 14.74058605 | 0.34280165 | 14.74058605 | 0.244989426 | 2.041351251 | 0.244989426 | -5.842703032 | -0.34280165 | -1.603 | 124.1374 | 482.582 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 2 | 12 | 0 | 10 | 0 | 1 | 1 | 192 | NMe(1,2,4,5)CHA (3) | -7.0 | 6.998434617 | -1.144165256 | 30.21926563 | 36.10735481 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 0.0 | 41.1113527 | 69.02606429 | 8.224551337 | null | -7.0 | null | null | null | null | null | null | null | null | null | null | 1 | C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C1=O | 80.93821528 | 35.44307838 | 0.0 | 30.21926563 | 0.0 | 77.21870751 | 27.9033076 | 0.0 | 0 | 0.0 | null | null | null | null | ['Me_dA', 'meA', 'A', 'meA', 'meA', 'A'] | [0.1353999999999999, 0.1353999999999999, -0.2068000000000003, 0.1353999999999999, 0.1353999999999999, -0.2068000000000003] | [20.31, 20.31, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 0.0 | 0.0 | 119.0533797 | 28.7672231 | 0.0 | 90.45866073 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Marelli | 1023 | null | 139.44 | null | 308.6700206 | 0.0 | 79.58833133 | -4.199720695 | 0.0 | -22.76900708 | -34.70739694 | 0.0 | -52.58222718 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.426197795 | null |
035548dc2ecd40a6d0e39615eb0ac7fb066cb4e7a976d4df76ef1920d01a9a41 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,023 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Me_dA', 'dA', 'Me_dA', 'Me_dA', 'dA'] | 46 | 1024 | -7.1 | -7.1 | Circle | 8 | -1.34e-16 | -2.661168589 | -1.64e-16 | -2.858253088 | -3.71e-18 | -1.01902049 | 1.18e-15 | -0.24679929 | 5.742366974 | 1991.234166 | 115.0 | null | -5.57 | 58.92820323 | 54.13277132 | 16.13277132 | 30.73760431 | 26.69688083 | 7.802453635 | 5.487803757 | 5.487803757 | 3.348944141 | 3.348944141 | 1.616997705 | 1.616997705 | null | null | null | null | 170.7843591 | 28.7672231 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 52.17099218 | 482.2852829 | 0.558823529 | 0.882352941 | 1.147058824 | 0.727272727 | 114.0 | PEPTIDE1024{[meA].[Me_dA].[dA].[Me_dA].[Me_dA].[dA]}$PEPTIDE1024,PEPTIDE1024,1:R1-6:R2$$$ | PEPTIDE1024{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dA/">[dA]</a>}$PEPTIDE1024,PEPTIDE1024,1:R1-6:R2$$$ | -3.18 | 34 | 444.278 | 1024 | null | null | 12000000000000.0 | 5.78653489 | 11.29881176 | 6.029973398 | 254.0103882 | null | 14.74058605 | 0.34280165 | 14.74058605 | 0.244989426 | 2.041351251 | 0.244989426 | -5.842703032 | -0.34280165 | -1.603 | 124.1374 | 482.582 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 2 | 12 | 0 | 10 | 0 | 1 | 1 | 192 | NMe(1,2,4,5)CHA* (3*) | -7.1 | 6.998434617 | -1.144165256 | 30.21926563 | 36.10735481 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 0.0 | 41.1113527 | 69.02606429 | 8.224551337 | null | -7.1 | null | null | null | null | null | null | null | null | null | null | 1 | C[C@H]1C(=O)N(C)[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@H](C)C(=O)N[C@H](C)C(=O)N1C | 80.93821528 | 35.44307838 | 0.0 | 30.21926563 | 0.0 | 77.21870751 | 27.9033076 | 0.0 | 0 | 0.0 | null | null | null | null | ['meA', 'Me_dA', 'dA', 'Me_dA', 'Me_dA', 'dA'] | [0.1353999999999999, 0.1353999999999999, -0.2068000000000003, 0.1353999999999999, 0.1353999999999999, -0.2068000000000003] | [20.31, 20.31, 29.1, 20.31, 20.31, 29.1] | 10.61962671 | 0.0 | 0.0 | 0.0 | 119.0533797 | 28.7672231 | 0.0 | 90.45866073 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Marelli | 1024 | null | 139.44 | null | 308.6700206 | 0.0 | 79.58833133 | -4.199720695 | 0.0 | -22.76900708 | -34.70739694 | 0.0 | -52.58222718 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.426197795 | null |
1a51db2e6a6aedc003a5a99b1b76e5c9b382fb3997fd21baa59246bd151d45a8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,024 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dW', 'meK', 'T', 'meF', 'P', 'F'] | 38 | 1025 | -10.0 | -10 | Circle | 8 | -7.65e-17 | -2.700230762 | 1.74e-17 | -2.884298199 | 3.5e-16 | -1.088155098 | 10.09623236 | -0.246557889 | 2.324497146 | 4980.225631 | 162.0 | null | -5.82 | 96.83701593 | 89.9354468 | 29.9354468 | 53.6786032 | 45.57171444 | 15.92739817 | 10.8627483 | 10.8627483 | 7.139349314 | 7.139349314 | 4.460927704 | 4.460927704 | null | permeability -10 is the value described in the original paper | null | null | 328.662965 | 28.86809672 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 53.64327536 | 848.4584963 | 0.838709677 | 1.5 | 2.193548387 | 0.446808511 | 166.0 | PEPTIDE1025{[Me_dW].[meK].T.[meF].P.F}$PEPTIDE1025,PEPTIDE1025,1:R1-6:R2$$$ | PEPTIDE1025{<a href="/monomers/Me_dW/">[Me_dW]</a>.<a href="/monomers/meK/">[meK]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1025,PEPTIDE1025,1:R1-6:R2$$$ | -6.06 | 62 | 788.566 | 1025 | null | null | 4.84e+39 | 11.54409371 | 20.66986389 | 10.33567602 | 447.1956908 | null | 17.32329901 | 0.390716755 | 17.32329901 | 0.247773878 | 0.745701466 | 0.247773878 | -7.1224226 | -0.390716755 | 2.1608 | 235.1513 | 849.046 | Circle | 6 | 6 | null | 6 | 15 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 8 | 5 | 15 | 0 | 17 | 0 | 2 | 2 | 330 | NMe(1,2,4)VHP (4) | -10.0 | 3.36348353 | 6.647991091 | 46.02479407 | 38.93103897 | 4.235526235 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 78.5514432 | 67.94614949 | 107.483209 | 36.23670626 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 114.9562037 | 46.34600331 | 1.431199657 | 35.1962689 | 5.719716976 | 100.0226642 | 33.92120007 | 107.4571116 | 0 | 0.0 | null | null | null | null | ['Me_dW', 'meK', 'T', 'meF', 'P', 'F'] | [1.8394999999999997, 0.2444999999999998, -0.1918000000000002, 1.3581999999999996, 0.2794999999999998, 1.0159999999999998] | [36.1, 46.33, 38.33, 20.31, 20.31, 29.1] | 16.33934368 | 0.0 | 0.0 | 0.0 | 142.6683013 | 47.88599781 | 0.0 | 129.4278331 | 90.76675712 | 7.059210392 | 10.90292493 | 0 | 2015_Marelli | 1025 | null | 201.48 | null | 541.3761215 | 0.0 | 91.01393359 | -3.273022443 | -11.44680672 | -26.59404724 | -68.69398338 | -56.50025149 | -34.79861053 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 1 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 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 | 0 | 0 | 0 | 0 | 0.14146736 | null |
db082030526c4018e102491daacd7ad192a33dd3a20acd34e3f2b5f985aef951 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,025 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meW', 'Me_dK', 'dT', 'Me_dF', 'dP', 'dF'] | 43 | 1026 | -10.0 | -10 | Circle | 4 | -7.65e-17 | -2.700230762 | 1.74e-17 | -2.884298199 | 3.5e-16 | -1.088155098 | 10.09623236 | -0.246557889 | 2.324497146 | 4980.225631 | 175.0 | null | -6.14 | 96.83701593 | 89.9354468 | 29.9354468 | 53.6786032 | 45.57171444 | 15.92739817 | 10.8627483 | 10.8627483 | 7.139349314 | 7.139349314 | 4.460927704 | 4.460927704 | null | permeability -10 is the value described in the original paper | null | null | 328.662965 | 28.86809672 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 53.64327536 | 848.4584963 | 0.838709677 | 1.5 | 2.193548387 | 0.446808511 | 149.0 | PEPTIDE1026{[meW].[Me_dK].[dT].[Me_dF].[dP].[dF]}$PEPTIDE1026,PEPTIDE1026,1:R1-6:R2$$$ | PEPTIDE1026{<a href="/monomers/meW/">[meW]</a>.<a href="/monomers/Me_dK/">[Me_dK]</a>.<a href="/monomers/dT/">[dT]</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dF/">[dF]</a>}$PEPTIDE1026,PEPTIDE1026,1:R1-6:R2$$$ | -6.06 | 62 | 788.566 | 1026 | null | null | 4.84e+39 | 11.54409371 | 20.66986389 | 10.33567602 | 447.1956908 | null | 17.32329901 | 0.390716755 | 17.32329901 | 0.247773878 | 0.745701466 | 0.247773878 | -7.1224226 | -0.390716755 | 2.1608 | 235.1513 | 849.046 | Circle | 6 | 6 | null | 6 | 15 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 8 | 5 | 15 | 0 | 17 | 0 | 2 | 2 | 330 | NMe(1,2,4)VHP* (4*) | -10.0 | 3.36348353 | 6.647991091 | 46.02479407 | 38.93103897 | 4.235526235 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 78.5514432 | 67.94614949 | 107.483209 | 36.23670626 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 6 | C[C@H](O)[C@H]1NC(=O)[C@@H](CCCCN)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C1=O | 114.9562037 | 46.34600331 | 1.431199657 | 35.1962689 | 5.719716976 | 100.0226642 | 33.92120007 | 107.4571116 | 0 | 0.0 | null | null | null | null | ['meW', 'Me_dK', 'dT', 'Me_dF', 'dP', 'dF'] | [1.8394999999999997, 0.2444999999999998, -0.8459000000000001, 1.3581999999999996, 0.2794999999999998, 1.0159999999999998] | [36.1, 46.33, 49.33, 20.31, 20.31, 29.1] | 16.33934368 | 0.0 | 0.0 | 0.0 | 142.6683013 | 47.88599781 | 0.0 | 129.4278331 | 90.76675712 | 7.059210392 | 10.90292493 | 0 | 2015_Marelli | 1026 | null | 201.48 | null | 541.3761215 | 0.0 | 91.01393359 | -3.273022443 | -11.44680672 | -26.59404724 | -68.69398338 | -56.50025149 | -34.79861053 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 1 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 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 | 0 | 0 | 0 | 0 | 0.14146736 | null |
ef2ca288d93d27f71ebbec5e334d371cc4a6d73d37976a9a89534311ff0e6e6c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,026 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'meL', 'L', 'dP', 'meY', 'L'] | 39 | 1027 | -4.4 | -4.4 | Circle | 2 | -2.73e-16 | -2.736564284 | -2.23e-16 | -2.876464008 | -1.04e-16 | -1.136362017 | 1.69e-16 | -0.24928777 | 3.881438201 | 4121.809889 | 111.0 | null | -4.7 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 107.0 | PEPTIDE1027{[Me_dL].[meL].L.[dP].[meY].L}$PEPTIDE1027,PEPTIDE1027,1:R1-6:R2$$$ | PEPTIDE1027{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1027,PEPTIDE1027,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1027 | null | null | 5.2000000000000006e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.00766616 | 0.507966645 | 17.00766616 | 0.29309207 | 1.857455529 | 0.29309207 | -7.503943013 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | PLP (5) | -4.4 | 2.143539337 | -1.009728356 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -4.4 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['Caco2', 'RRCK'], ['PAMPA', 'RRCK'], ['Caco2'], ['PAMPA', 'MDCK'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'RRCK']] | [25, 32, 980, 999, 1018, 1030, 1056, 1827, 2328] | [['-5.31'], ['-5.31', '-5.31'], ['-5.52', '-5.31'], ['-4.75'], ['-4.50', '-4.96'], ['-6.00'], ['-6.24', '-4.80'], ['-6.40'], ['-5.52', '-4.88']] | ['2011_White', '2012_Rand', '2015_Bockus_1', '2015_Hewitt', '2015_Lewis', '2015_Nielsen', '2015_Wang', '2016_Hickey', '2018_Naylor'] | ['Me_dL', 'meL', 'L', 'dP', 'meY', 'L'] | [1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995] | [20.31, 20.31, 29.1, 20.31, 40.540000000000006, 29.1] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Marelli | 25 | null | 159.67 | null | 582.2023772 | 0.0 | 89.70782057 | -1.813002853 | -2.870125422 | -55.52934034 | -52.22939965 | -45.30761639 | -70.41071309 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
ce95be86697d2b0ab059d78dbee8e9ac90d1ba9a7c0a6c07fd40f3eb5da04e84 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,027 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'Me_dL', 'dL', 'P', 'Me_dY', 'dL'] | 42 | 1028 | -4.3 | -4.3 | Circle | 1 | -2.88e-16 | -2.736564284 | -2.49e-16 | -2.876464008 | -1.19e-16 | -1.136362017 | 4.96e-16 | -0.24928777 | 3.881438201 | 4121.809889 | 113.0 | null | -4.82 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 110.0 | PEPTIDE1028{[meL].[Me_dL].[dL].P.[Me_dY].[dL]}$PEPTIDE1028,PEPTIDE1028,1:R1-6:R2$$$ | PEPTIDE1028{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dY/">[Me_dY]</a>.<a href="/monomers/dL/">[dL]</a>}$PEPTIDE1028,PEPTIDE1028,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1028 | null | null | 1.19e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.00766616 | 0.507966645 | 17.00766616 | 0.29309207 | 1.857455529 | 0.29309207 | -7.503943013 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | PLP* (5*) | -4.3 | 2.143539337 | -1.009728356 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -4.3 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(C)C)C(=O)N1C | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['meL', 'Me_dL', 'dL', 'P', 'Me_dY', 'dL'] | [1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995] | [20.31, 20.31, 29.1, 20.31, 40.540000000000006, 29.1] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Marelli | 1028 | null | 159.67 | null | 582.2023772 | 0.0 | 89.70782057 | -1.813002853 | -2.870125422 | -55.52934034 | -52.22939965 | -45.30761639 | -70.41071309 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
d340afd0d276a01d1612effb927975ca4abe7d85806a19ba224d25643e2b92db | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,028 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'Me_dL', 'meY'] | 42 | 1029 | -7.0 | -7 | Circle | 3 | -3.22e-16 | -2.741935542 | -2.87e-16 | -2.883987128 | -2.01e-16 | -1.136422425 | -2.09e-17 | -0.24928777 | 5.286339242 | 4321.784059 | 118.0 | null | null | 104.5994116 | 99.04101961 | 27.04101961 | 54.70103559 | 49.30925326 | 13.50657778 | 9.316927902 | 9.316927902 | 5.41141641 | 5.41141641 | 3.291245642 | 3.291245642 | null | < -7 | null | null | 301.3819036 | 27.49733817 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 71.33988602 | 784.5462486 | 0.607142857 | 0.964285714 | 1.357142857 | 0.720930233 | 118.0 | PEPTIDE1029{L.[Me_dL].[meL].L.[Me_dL].[meY]}$PEPTIDE1029,PEPTIDE1029,1:R1-6:R2$$$ | PEPTIDE1029{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1029,PEPTIDE1029,1:R1-6:R2$$$ | -4.16 | 56 | 712.508 | 1029 | null | null | 4.94e+41 | 8.597428182 | 21.38882351 | 13.50060858 | 437.1915151 | null | 17.20531133 | 0.507966645 | 17.20531133 | 0.29309207 | 1.970011688 | 0.29309207 | -7.619836682 | -0.507966645 | 4.4564 | 219.1792 | 785.084 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 27 | 0 | 1 | 1 | 316 | compound.1 | -7.0 | 0.644831323 | -0.617999568 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 80.60375859 | 78.98270184 | 115.1509873 | 13.70758556 | null | -7.0 | null | null | null | null | null | null | null | null | null | null | 2 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 131.2820558 | 35.44307838 | 1.431199657 | 30.21926563 | 29.46978843 | 142.8638254 | 27.9033076 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'Me_dL', 'meL', 'L', 'Me_dL', 'meY'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 1.1616, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.5933876 | 35.14014801 | 29.46978843 | 200.5293375 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Nielsen | 1029 | null | 159.67 | null | 636.0469611 | 0.0 | 90.27332142 | -2.20584677 | -3.059837356 | -64.26925466 | -54.9199331 | -41.50034617 | -84.11506443 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.282508899 | null |
cc531ce95297a1c96cf439092911e3bcbc56677de24718ca5b76965cc7a1376d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,030 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meL', 'L', 'dP', 'meY'] | 36 | 1031 | -5.17 | -5.17 | Circle | 8 | -2.41e-16 | -2.716026898 | -1.94e-16 | -2.865473288 | -9.76e-17 | -1.135660023 | 9.1e-16 | -0.249287767 | 3.033918117 | 3923.258795 | 108.0 | null | null | 90.59941163 | 85.04101961 | 25.04101961 | 48.20103559 | 42.80925326 | 13.00657778 | 9.0405347 | 9.0405347 | 5.621826607 | 5.621826607 | 3.553897686 | 3.553897686 | null | null | null | null | 273.9743351 | 22.01430394 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 60.37381757 | 724.4523483 | 0.788461538 | 1.25 | 1.711538462 | 0.692307692 | 108.0 | PEPTIDE1031{L.[dP].[meL].L.[dP].[meY]}$PEPTIDE1031,PEPTIDE1031,1:R1-6:R2$$$ | PEPTIDE1031{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1031,PEPTIDE1031,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 1031 | null | null | 4.6099999999999996e+33 | 8.543423 | 17.5727021 | 9.628151798 | 392.8604384 | null | 16.55144495 | 0.507966645 | 16.55144495 | 0.29309207 | 1.782169525 | 0.29309207 | -7.045655375 | -0.507966645 | 2.6922 | 196.6232 | 724.944 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 17 | 0 | 3 | 3 | 288 | compound.3 | -5.17 | 3.47451935 | -1.346235098 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 79.94063627 | 97.74395021 | 13.70758556 | null | -5.17 | 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@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C1=O | 114.8329532 | 35.44307838 | 1.431199657 | 30.21926563 | 17.68187306 | 128.2021067 | 26.94537317 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meL', 'L', 'dP', 'meY'] | [0.8193999999999995, 0.2794999999999998, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 124.6354531 | 35.14014801 | 17.68187306 | 169.4185162 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Nielsen | 1031 | null | 159.67 | null | 528.6812183 | 0.0 | 89.14231972 | -1.424227647 | -2.75546106 | -46.88102794 | -49.74796556 | -48.93336915 | -56.83148666 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.371992764 | null |
2272eadd4a6071c9b28801a273fdc8aaefcb8052479116357e33b7ce3ff7209e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,031 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['iBu_Gly', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | 45 | 1032 | -5.26 | -5.26 | Circle | 9 | -2.4e-16 | -2.732940883 | -2.25e-16 | -2.866993834 | -8.24e-17 | -1.136160472 | 2.65e-16 | -0.249287768 | 3.885288295 | 4117.809889 | 105.0 | null | null | 97.59941163 | 92.04101961 | 26.04101961 | 51.41236046 | 46.08564646 | 13.23018458 | 9.152338099 | 9.152338099 | 5.491439117 | 5.491439117 | 3.407377919 | 3.407377919 | null | null | null | 76.0 | 287.8711177 | 24.71473753 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.833333333 | 1.444444444 | 2.055555556 | 0.707317073 | 105.0 | PEPTIDE1032{[iBu_Gly].[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE1032,PEPTIDE1032,1:R1-6:R2$$$ | PEPTIDE1032{<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1032,PEPTIDE1032,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1032 | null | null | 4.96e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.1778916 | null | 17.08875036 | 0.507966645 | 17.08875036 | 0.29309207 | 1.88335208 | 0.29309207 | -7.402782653 | -0.507966645 | 3.528 | 207.9335 | 755.014 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 2 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | Cmpd.1 | null | 2.76630132 | -0.863759056 | 34.9181702 | 35.83897418 | 1.411842078 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 73.08874416 | 112.9443284 | 21.5752038 | null | -5.26 | null | null | null | null | null | -5.26 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)CN(CC(C)C)C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C1=O | 123.016421 | 35.44307838 | 1.431199657 | 29.80936201 | 23.57583074 | 123.1421487 | 40.41805975 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['iBu_Gly', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | [0.7731000000000001, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 5.309813353 | 0.0 | 5.749511833 | 0.0 | 136.990157 | 35.14014801 | 23.57583074 | 179.9717605 | 24.16967483 | 1.411842078 | 0.0 | 0 | 2015_Schwochert | 1032 | null | 150.88 | null | 581.9687933 | 0.0 | 86.89229558 | 1.057836198 | -2.92749602 | -55.44396384 | -45.20961243 | -38.61164524 | -83.9762075 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 5 | 1 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.371304996 | null |
d47992bffe56a32384b2c757703173283209a669e518968f5d21f10a02b491df | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,032 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'iBu_Gly', 'meL', 'L', 'dP', 'meY'] | 41 | 1033 | -5.13 | -5.13 | Circle | 7 | -1.86e-16 | -2.72469743 | -2.08e-16 | -2.871903118 | -9.37e-17 | -1.135664369 | 2.76e-16 | -0.249287767 | 3.787124614 | 4010.47427 | 117.0 | null | null | 95.09941163 | 89.54101961 | 25.54101961 | 50.20103559 | 44.80925326 | 13.00657778 | 8.928731301 | 8.928731301 | 5.278090472 | 5.278090472 | 3.278654446 | 3.278654446 | null | null | null | 77.5 | 281.3051944 | 26.12657961 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 740.4836484 | 0.849056604 | 1.433962264 | 2.018867925 | 0.7 | 117.0 | PEPTIDE1033{L.[iBu_Gly].[meL].L.[dP].[meY]}$PEPTIDE1033,PEPTIDE1033,1:R1-6:R2$$$ | PEPTIDE1033{<a href="/monomers/L/">L</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1033,PEPTIDE1033,1:R1-6:R2$$$ | -4.16 | 53 | 676.475 | 1033 | null | null | 4.49e+36 | 8.475622976 | 19.25048022 | 11.91836383 | 405.8510936 | null | 16.79912068 | 0.507966645 | 16.79912068 | 0.29309207 | 1.837975654 | 0.29309207 | -7.1791563 | -0.507966645 | 3.1858 | 203.3062 | 740.987 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 21 | 0 | 2 | 2 | 296 | Cmpd.2 | null | 2.940827907 | -0.957238065 | 35.32807382 | 35.83897418 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 73.08874416 | 101.8562259 | 21.5752038 | null | -5.13 | null | null | null | null | null | -5.13 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC(C)C)C1=O | 120.3159874 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 123.1421487 | 33.44223285 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'iBu_Gly', 'meL', 'L', 'dP', 'meY'] | [0.8193999999999995, 0.7731000000000001, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 175.8594849 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1033 | null | 159.67 | null | 561.3440726 | 0.0 | 88.77968284 | -1.684573862 | -2.842318269 | -54.39783061 | -44.15080051 | -37.91067748 | -76.63755469 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.332485123 | null |
38567d84548067adf3e0b2e6c429344cde430b4062d27953ce7c9ca8231c5454 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,033 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'iBu_Gly', 'L', 'dP', 'meY'] | 43 | 1034 | -5.51 | -5.51 | Circle | 7 | -2.75e-16 | -2.731657716 | -1.98e-16 | -2.872190902 | -1.08e-16 | -1.135843691 | 4.09e-16 | -0.249287767 | 3.801960307 | 4010.47427 | 136.0 | null | null | 95.09941163 | 89.54101961 | 25.54101961 | 50.20103559 | 44.80925326 | 13.00657778 | 8.928731301 | 8.928731301 | 5.278090472 | 5.278090472 | 3.306605296 | 3.306605296 | null | null | null | 77.0 | 281.3051944 | 26.12657961 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 740.4836484 | 0.849056604 | 1.452830189 | 2.056603774 | 0.7 | 131.0 | PEPTIDE1034{L.[Me_dL].[iBu_Gly].L.[dP].[meY]}$PEPTIDE1034,PEPTIDE1034,1:R1-6:R2$$$ | PEPTIDE1034{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1034,PEPTIDE1034,1:R1-6:R2$$$ | -4.16 | 53 | 676.475 | 1034 | null | null | 4.65e+37 | 8.475622976 | 19.25048022 | 11.91836383 | 405.8510936 | null | 16.89372059 | 0.507966645 | 16.89372059 | 0.29309207 | 1.843090434 | 0.29309207 | -7.430866907 | -0.507966645 | 3.1858 | 203.3062 | 740.987 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 21 | 0 | 2 | 2 | 296 | Cmpd.3 | null | 2.81493222 | -0.971819619 | 35.32807382 | 35.83897418 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 73.08874416 | 101.8562259 | 21.5752038 | null | -5.51 | null | null | null | null | null | -5.51 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CN(CC(C)C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 120.3159874 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 123.1421487 | 33.44223285 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'Me_dL', 'iBu_Gly', 'L', 'dP', 'meY'] | [0.8193999999999995, 1.1616, 0.7731000000000001, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 175.8594849 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1034 | null | 159.67 | null | 561.7682491 | 0.0 | 88.70409891 | -1.609090385 | -2.850645546 | -54.50220735 | -44.28350579 | -37.9413835 | -76.78551542 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.332485123 | null |
a489025554091012453936fda8545b895cb5ce32d67cb0d0fb1642c8d6ef26c3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,034 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Bn(4-OH)_Gly'] | 48 | 1035 | -5.2 | -5.2 | Circle | 7 | -2.32e-16 | -2.735688478 | -1.99e-16 | -2.869894082 | -1.05e-16 | -1.136362542 | 2.93e-16 | -0.24928777 | 3.793534686 | 4010.47427 | 120.0 | null | null | 95.09941163 | 89.54101961 | 25.54101961 | 50.20103559 | 44.80925326 | 13.00657778 | 8.928731301 | 8.928731301 | 5.278090472 | 5.278090472 | 3.300006996 | 3.300006996 | null | null | null | 78.0 | 281.3051944 | 26.12657961 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 740.4836484 | 0.830188679 | 1.396226415 | 1.981132075 | 0.7 | 120.0 | PEPTIDE1035{L.[Me_dL].[meL].L.[dP].[Bn(4-OH)_Gly]}$PEPTIDE1035,PEPTIDE1035,1:R1-6:R2$$$ | PEPTIDE1035{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Bn(4-OH)_Gly/">[Bn(4-OH)_Gly]</a>}$PEPTIDE1035,PEPTIDE1035,1:R1-6:R2$$$ | -4.16 | 53 | 676.475 | 1035 | null | null | 7.709999999999999e+36 | 8.475622976 | 19.25048022 | 11.91836383 | 405.8510936 | null | 16.88435321 | 0.507966626 | 16.88435321 | 0.293092071 | 1.781448313 | 0.293092071 | -7.406587695 | -0.507966626 | 3.5334 | 203.0562 | 740.987 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 21 | 0 | 2 | 2 | 296 | Cmpd.4 | null | 2.807166566 | -0.911730557 | 35.32807382 | 35.83897418 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 92.74178387 | 24.31672091 | null | -5.2 | null | null | null | null | null | -5.2 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(O)cc2)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 120.3159874 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 129.6390084 | 26.94537317 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Bn(4-OH)_Gly'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0229] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 118.6175607 | 35.26408279 | 23.57583074 | 182.2324098 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1035 | null | 159.67 | null | 561.6913213 | 0.0 | 88.83724879 | -1.640515846 | -2.703544385 | -54.54454029 | -44.39422213 | -38.68366822 | -76.06207917 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.331155169 | null |
c2e2eb0cbd0a5a52efbc5567400b348a2bd5fd932ec0318e2728d3b1aa6a86c7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,035 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'iBu_Gly', 'iBu_Gly', 'L', 'dP', 'meY'] | 45 | 1036 | -5.6 | -5.6 | Circle | 7 | -2.18e-16 | -2.718614632 | -1.58e-16 | -2.867851809 | -1e-16 | -1.134782444 | 6.62e-16 | -0.249287763 | 3.709607687 | 3899.527995 | 121.0 | null | null | 92.59941163 | 87.04101961 | 25.04101961 | 48.95103559 | 43.55925326 | 12.75657778 | 8.678731301 | 8.678731301 | 5.039559436 | 5.039559436 | 3.162688079 | 3.162688079 | null | null | null | 78.5 | 274.9322695 | 23.34397898 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.78565965 | 726.4679983 | 0.884615385 | 1.5 | 2.096153846 | 0.692307692 | 121.0 | PEPTIDE1036{L.[iBu_Gly].[iBu_Gly].L.[dP].[meY]}$PEPTIDE1036,PEPTIDE1036,1:R1-6:R2$$$ | PEPTIDE1036{<a href="/monomers/L/">L</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1036,PEPTIDE1036,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 1036 | null | null | 3.2699999999999997e+35 | 8.391326645 | 19.0709996 | 11.94513776 | 396.6762105 | null | 16.73124342 | 0.507966645 | 16.73124342 | 0.29309207 | 1.823610559 | 0.29309207 | -7.13440959 | -0.507966645 | 2.7973 | 198.7112 | 726.96 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 20 | 0 | 2 | 2 | 290 | Cmpd.5 | null | 3.463532074 | -0.898438061 | 35.32807382 | 29.82108171 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 66.71581925 | 97.26498299 | 29.44282204 | null | -5.6 | null | null | null | null | null | -5.6 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CN(CC(C)C)C(=O)CN(CC(C)C)C1=O | 117.5744703 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 110.7513313 | 39.46012532 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'iBu_Gly', 'iBu_Gly', 'L', 'dP', 'meY'] | [0.8193999999999995, 0.7731000000000001, 0.7731000000000001, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 166.7450428 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1036 | null | 159.67 | null | 541.0711764 | 0.0 | 87.77596118 | -1.480661394 | -2.822838393 | -53.3402987 | -36.50456828 | -30.77834777 | -82.67042307 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.334576181 | null |
37909a3f6b55556d3bb797b14c9150de0e5328a4b8c1e88840b08405f9daf4ab | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,036 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'iBu_Gly', 'meL', 'L', 'dP', 'Bn(4-OH)_Gly'] | 50 | 1037 | -5.14 | -5.14 | Circle | 9 | -2.32e-16 | -2.723282938 | -2.19e-16 | -2.863996762 | -9.73e-17 | -1.135664373 | 3.63e-16 | -0.249287767 | 3.698223556 | 3899.527995 | 136.0 | null | null | 92.59941163 | 87.04101961 | 25.04101961 | 48.95103559 | 43.55925326 | 12.75657778 | 8.678731301 | 8.678731301 | 5.039559436 | 5.039559436 | 3.156089778 | 3.156089778 | null | null | null | 78.0 | 274.9322695 | 27.49733817 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 57.63230046 | 726.4679983 | 0.884615385 | 1.519230769 | 2.134615385 | 0.692307692 | 135.0 | PEPTIDE1037{L.[iBu_Gly].[meL].L.[dP].[Bn(4-OH)_Gly]}$PEPTIDE1037,PEPTIDE1037,1:R1-6:R2$$$ | PEPTIDE1037{<a href="/monomers/L/">L</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Bn(4-OH)_Gly/">[Bn(4-OH)_Gly]</a>}$PEPTIDE1037,PEPTIDE1037,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 1037 | null | null | 5.8299999999999996e+35 | 8.391326645 | 19.0709996 | 11.94513776 | 396.6762105 | null | 16.54988797 | 0.507966626 | 16.54988797 | 0.293092071 | 1.763936869 | 0.293092071 | -7.134837316 | -0.507966626 | 3.1449 | 198.4612 | 726.96 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 20 | 0 | 2 | 2 | 290 | Cmpd.6 | null | 3.57328331 | -0.835261492 | 35.32807382 | 29.82108171 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 73.08874416 | 88.15054098 | 32.18433916 | null | -5.14 | null | null | null | null | null | -5.14 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(O)cc2)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC(C)C)C1=O | 117.5744703 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 117.248191 | 32.96326564 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'iBu_Gly', 'meL', 'L', 'dP', 'Bn(4-OH)_Gly'] | [0.8193999999999995, 0.7731000000000001, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0229] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 118.6175607 | 35.26408279 | 23.57583074 | 173.1179678 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1037 | null | 159.67 | null | 540.9334408 | 0.0 | 87.90911106 | -1.512116666 | -2.679012198 | -53.40178229 | -36.46782965 | -31.40555078 | -82.12626031 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.334246548 | null |
b174dd2ff221dea951d2fa785e388c7f14ca8597a1811dbedd90d77caf288bda | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,037 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'iBu_Gly', 'L', 'dP', 'Bn(4-OH)_Gly'] | 52 | 1038 | -5.44 | -5.44 | Circle | 8 | -2.22e-16 | -2.730539293 | -1.58e-16 | -2.864052752 | -1.27e-16 | -1.135846305 | 3.96e-16 | -0.249287767 | 3.695645859 | 3899.527995 | 124.0 | null | null | 92.59941163 | 87.04101961 | 25.04101961 | 48.95103559 | 43.55925326 | 12.75657778 | 8.678731301 | 8.678731301 | 5.039559436 | 5.039559436 | 3.184040628 | 3.184040628 | null | null | null | 78.0 | 274.9322695 | 27.49733817 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 57.63230046 | 726.4679983 | 0.846153846 | 1.423076923 | 2.0 | 0.692307692 | 124.0 | PEPTIDE1038{L.[Me_dL].[iBu_Gly].L.[dP].[Bn(4-OH)_Gly]}$PEPTIDE1038,PEPTIDE1038,1:R1-6:R2$$$ | PEPTIDE1038{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Bn(4-OH)_Gly/">[Bn(4-OH)_Gly]</a>}$PEPTIDE1038,PEPTIDE1038,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 1038 | null | null | 4.56e+35 | 8.391326645 | 19.0709996 | 11.94513776 | 396.6762105 | null | 16.77040763 | 0.507966626 | 16.77040763 | 0.293092071 | 1.753463936 | 0.293092071 | -7.33351159 | -0.507966626 | 3.1449 | 198.4612 | 726.96 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 20 | 0 | 2 | 2 | 290 | Cmpd.7 | null | 3.325546566 | -0.793548769 | 35.32807382 | 29.82108171 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 73.08874416 | 88.15054098 | 32.18433916 | null | -5.44 | null | null | null | null | null | -5.44 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(O)cc2)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CN(CC(C)C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 117.5744703 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 117.248191 | 32.96326564 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'Me_dL', 'iBu_Gly', 'L', 'dP', 'Bn(4-OH)_Gly'] | [0.8193999999999995, 1.1616, 0.7731000000000001, 0.8193999999999995, 0.2794999999999998, 1.0229] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 118.6175607 | 35.26408279 | 23.57583074 | 173.1179678 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1038 | null | 159.67 | null | 541.1513143 | 0.0 | 87.83352713 | -1.436433925 | -2.66106327 | -53.48272156 | -36.44365176 | -31.37508683 | -82.33588411 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.334246548 | null |
47929d565a8a2005eba940dba14fbba585cefa3b2831dd1e22fb04ab008d0485 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,038 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'iBu_Gly', 'iBu_Gly', 'L', 'dP', 'Bn(4-OH)_Gly'] | 54 | 1039 | -5.54 | -5.54 | Circle | 5 | -2.25e-16 | -2.716460767 | -1.52e-16 | -2.857966176 | -1.52e-16 | -1.134784228 | 6.51e-16 | -0.249287763 | 3.60171293 | 3788.979834 | 115.0 | null | null | 90.09941163 | 84.54101961 | 24.54101961 | 47.70103559 | 42.30925326 | 12.50657778 | 8.428731301 | 8.428731301 | 4.8010284 | 4.8010284 | 3.04012341 | 3.04012341 | null | null | null | 79.0 | 268.5593446 | 21.97322042 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 60.41490109 | 712.4523483 | 0.823529412 | 1.37254902 | 1.941176471 | 0.684210526 | 113.0 | PEPTIDE1039{L.[iBu_Gly].[iBu_Gly].L.[dP].[Bn(4-OH)_Gly]}$PEPTIDE1039,PEPTIDE1039,1:R1-6:R2$$$ | PEPTIDE1039{<a href="/monomers/L/">L</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Bn(4-OH)_Gly/">[Bn(4-OH)_Gly]</a>}$PEPTIDE1039,PEPTIDE1039,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1039 | null | null | 1.1999999999999999e+35 | 8.308622705 | 18.89589014 | 12.53381155 | 387.5013274 | null | 16.48201072 | 0.507966626 | 16.48201072 | 0.293092071 | 1.735952492 | 0.293092071 | -6.937736341 | -0.507966626 | 2.7564 | 193.8662 | 712.933 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | Cmpd.8 | null | 3.953087963 | -0.684725717 | 35.32807382 | 23.80318924 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 66.71581925 | 83.5592981 | 40.0519574 | null | -5.54 | null | null | null | null | null | -5.54 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(O)cc2)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CN(CC(C)C)C(=O)CN(CC(C)C)C1=O | 114.8329532 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 104.8573736 | 38.98115811 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'iBu_Gly', 'iBu_Gly', 'L', 'dP', 'Bn(4-OH)_Gly'] | [0.8193999999999995, 0.7731000000000001, 0.7731000000000001, 0.8193999999999995, 0.2794999999999998, 1.0229] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 118.6175607 | 35.26408279 | 23.57583074 | 164.0035257 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1039 | null | 159.67 | null | 520.5546658 | 0.0 | 86.9053894 | -1.308034745 | -2.636531083 | -52.30956464 | -28.81692091 | -24.33087256 | -88.05813129 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.336583556 | null |
7030b77fd3cd7fce2d0ca29838d19275e3ae3f32bfb23c5449aa1bf7547cfa31 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,039 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['iBu_Gly', 'iBu_Gly', 'iBu_Gly', 'iBu_Gly', 'dP', 'Bn(4-OH)_Gly'] | 66 | 1040 | -6.4 | -6.4 | Circle | 2 | -2.14e-16 | -2.710255525 | -1.8e-16 | -2.836886441 | -1.02e-17 | -1.125974795 | 9.79e-16 | -0.249285893 | 3.60164561 | 3780.979834 | 108.0 | null | null | 90.09941163 | 84.54101961 | 24.54101961 | 47.62368532 | 42.36203967 | 12.45379138 | 8.375944897 | 8.375944897 | 4.750663616 | 4.750663616 | 2.953834221 | 2.953834221 | null | null | null | 82.0 | 268.9453414 | 17.81986123 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 64.48609324 | 712.4523483 | 0.705882353 | 1.098039216 | 1.490196078 | 0.684210526 | 107.0 | PEPTIDE1040{[iBu_Gly].[iBu_Gly].[iBu_Gly].[iBu_Gly].[dP].[Bn(4-OH)_Gly]}$PEPTIDE1040,PEPTIDE1040,1:R1-6:R2$$$ | PEPTIDE1040{<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/iBu_Gly/">[iBu_Gly]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Bn(4-OH)_Gly/">[Bn(4-OH)_Gly]</a>}$PEPTIDE1040,PEPTIDE1040,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1040 | null | null | 4.67e+33 | 8.308622705 | 18.89589014 | 12.53381155 | 387.8051571 | null | 16.39634806 | 0.507966626 | 16.39634806 | 0.293092071 | 1.742914877 | 0.293092071 | -6.797271825 | -0.507966626 | 2.6638 | 193.9308 | 712.933 | Circle | 6 | 6 | null | 1 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 1 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | Cmpd.9 | null | 4.503110186 | -0.254118048 | 34.50826658 | 18.26426399 | 0.0 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 53.96996945 | 96.55301747 | 49.29033419 | null | -6.4 | null | null | null | null | null | -6.4 | null | null | null | null | 3 | CC(C)CN1CC(=O)N(CC(C)C)CC(=O)N(CC(C)C)CC(=O)N2CCC[C@@H]2C(=O)N(Cc2ccc(O)cc2)CC(=O)N(CC(C)C)CC1=O | 114.7507861 | 35.44307838 | 1.431199657 | 29.39945839 | 23.57583074 | 80.07573889 | 64.96859684 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['iBu_Gly', 'iBu_Gly', 'iBu_Gly', 'iBu_Gly', 'dP', 'Bn(4-OH)_Gly'] | [0.7731000000000001, 0.7731000000000001, 0.7731000000000001, 0.7731000000000001, 0.2794999999999998, 1.0229] | [20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 142.3690339 | 35.26408279 | 23.57583074 | 153.999193 | 24.16967483 | 0.0 | 0.0 | 0 | 2015_Schwochert | 1040 | null | 142.09 | null | 519.6510582 | 0.0 | 81.74040995 | 3.96558765 | -2.653768368 | -52.18442263 | -15.1364448 | -11.33448733 | -114.0479327 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.393409221 | null |
782303ff6de6c35e1c926344f54d888272cb46463861d331d824ff496977ab18 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,040 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', '2-pyridylmethyl_Gly'] | 55 | 1041 | -4.74 | -4.74 | Circle | 3 | -1.87e-16 | -2.735647371 | -2.6e-16 | -2.86990786 | -1.02e-16 | -1.136362542 | 1.85e-16 | -0.24928777 | 3.76850185 | 3963.570695 | 121.0 | null | null | 93.52206136 | 88.07998491 | 25.07998491 | 49.23551043 | 44.14409442 | 12.74966723 | 8.671820752 | 8.671820752 | 5.137135197 | 5.137135197 | 3.220328508 | 3.220328508 | null | null | null | 58.0 | 275.8166356 | 26.12657961 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 60.31337647 | 725.4839827 | 0.846153846 | 1.442307692 | 2.076923077 | 0.717948718 | 115.0 | PEPTIDE1041{L.[Me_dL].[meL].L.[dP].[2-pyridylmethyl_Gly]}$PEPTIDE1041,PEPTIDE1041,1:R1-6:R2$$$ | PEPTIDE1041{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/2-pyridylmethyl_Gly/">[2-pyridylmethyl_Gly]</a>}$PEPTIDE1041,PEPTIDE1041,1:R1-6:R2$$$ | -4.03 | 52 | 662.472 | 1041 | null | null | 2.32e+36 | 8.292482837 | 19.16313514 | 11.48483706 | 398.7848671 | null | 16.85347979 | 0.342747726 | 16.85347979 | 0.245700175 | 1.725892758 | 0.245700175 | -7.382551707 | -0.342747726 | 3.2228 | 199.1864 | 725.976 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 0 | 1 | 1 | 7 | 2 | 13 | 0 | 20 | 0 | 2 | 2 | 290 | Cmpd.10 | null | 3.608827133 | 0.434257376 | 30.21926563 | 36.58632203 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 0.0 | 0.0 | 0.0 | 60.85755565 | 73.89821756 | 92.41781939 | 30.01064891 | null | -4.74 | null | null | null | null | null | -4.74 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CN(Cc2ccccn2)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 115.2071792 | 35.44307838 | 0.0 | 35.20324415 | 23.57583074 | 129.6390084 | 26.94537317 | 29.99407933 | 0 | 0.0 | null | null | null | null | ['L', 'Me_dL', 'meL', 'L', 'dP', '2-pyridylmethyl_Gly'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.7122999999999999] | [29.1, 20.31, 20.31, 29.1, 20.31, 33.2] | 10.61962671 | 0.0 | 0.0 | 0.0 | 117.0615313 | 35.26408279 | 23.57583074 | 182.3628863 | 24.30015133 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1041 | null | 152.33 | null | 551.8757786 | 0.0 | 91.53768328 | -5.556306405 | -2.633914755 | -52.48039504 | -41.27289933 | -40.50006088 | -75.63655211 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.376014201 | null |
54028efff0091314a0f9ab1a2e2509531b07558fa0938b3661a4912234fa2eac | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,041 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Mono32'] | 42 | 1042 | -6.0 | -6 | Circle | 3 | -1.8e-16 | -2.735689015 | -1.04e-16 | -2.869897936 | 3.82e-17 | -1.136362542 | 8.33e-16 | -0.24928777 | 3.818500852 | 4141.509544 | 93.0 | null | null | 96.89230485 | 89.76666473 | 26.76666473 | 50.87435565 | 45.01382754 | 13.61940034 | 9.472366225 | 9.472366225 | 5.584501754 | 5.584501754 | 3.484462637 | 3.484462637 | null | null | null | 54.0 | 287.2954326 | 26.12657961 | 41.93846825 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 60.31337647 | 792.4761184 | 0.839285714 | 1.410714286 | 2.0 | 0.707317073 | 93.0 | PEPTIDE1042{L.[Me_dL].[meL].L.[dP].[Mono32]}$PEPTIDE1042,PEPTIDE1042,1:R1-6:R2$$$ | PEPTIDE1042{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono32/">[Mono32]</a>}$PEPTIDE1042,PEPTIDE1042,1:R1-6:R2$$$ | -4.17 | 56 | 729.481 | 1042 | null | null | 9.58e+37 | 9.810986426 | 19.8047619 | 12.41424262 | 418.4267674 | null | 16.87652134 | 0.415920627 | 16.87652134 | 0.415920627 | 2.528244507 | 0.342747734 | -7.478701067 | -0.342747734 | 4.8466 | 206.3934 | 792.985 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 2 | 15 | 0 | 20 | 0 | 2 | 2 | 314 | Cmpd.11 | null | 1.196374625 | -0.881573176 | 30.21926563 | 30.08946234 | 2.823684157 | 35.44307838 | 0.0 | 6.176298517 | 28.7672231 | 0.0 | 13.17124514 | 0.0 | 66.89997435 | 79.46166906 | 92.74178387 | 29.88017241 | null | -6.0 | null | null | null | null | null | -6.0 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CN(Cc2cccc(C(F)(F)F)c2)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 128.3784243 | 35.44307838 | 0.0 | 30.21926563 | 23.57583074 | 135.8153069 | 26.94537317 | 35.29657781 | 0 | 0.0 | null | null | null | null | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Mono32'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 2.3361] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 13.17124514 | 0.0 | 0.0 | 112.0775528 | 41.44038131 | 23.57583074 | 187.7958613 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1042 | null | 139.44 | null | 597.0318792 | 0.0 | 88.27167117 | -5.801601489 | -6.410098602 | -53.71383786 | -46.94445352 | -45.8338621 | -77.34969682 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.347862383 | null |
afadc4e4c45174766f43f4b763df6d877f1bb0d4b4c66735a1e77a3e8d88c177 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,042 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Mono33'] | 42 | 1043 | -5.09 | -5.09 | Circle | 7 | -2.87e-16 | -2.740152803 | -3.23e-16 | -2.889947598 | -1.36e-16 | -1.136362604 | 9.96e-17 | -0.24928777 | 3.804518817 | 3897.125516 | 123.0 | null | null | 97.21266028 | 91.9882332 | 24.9882332 | 50.56073649 | 46.02594951 | 12.63152232 | 8.578006969 | 8.578006969 | 5.069377565 | 5.069377565 | 3.16335681 | 3.16335681 | null | null | null | 56.0 | 276.9580907 | 26.12657961 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 65.7964107 | 733.5101975 | 0.769230769 | 1.326923077 | 1.923076923 | 0.842105263 | 101.0 | PEPTIDE1043{L.[Me_dL].[meL].L.[dP].[Mono33]}$PEPTIDE1043,PEPTIDE1043,1:R1-6:R2$$$ | PEPTIDE1043{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono33/">[Mono33]</a>}$PEPTIDE1043,PEPTIDE1043,1:R1-6:R2$$$ | -3.26 | 52 | 666.46 | 1043 | null | null | 3.36e+38 | 8.013131895 | 19.71120784 | 11.87636342 | 405.4553231 | null | 16.90066657 | 0.37879037 | 16.90066657 | 0.246382661 | 2.052442812 | 0.246382661 | -7.476410839 | -0.37879037 | 1.9173 | 198.5044 | 733.996 | Circle | 6 | 6 | null | 2 | 14 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 8 | 2 | 14 | 0 | 20 | 0 | 3 | 3 | 296 | Cmpd.12 | null | 2.304575954 | -2.031106521 | 34.95612858 | 36.58632203 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 54.81513694 | 61.81338015 | 104.7216778 | 37.55862618 | null | -5.09 | null | null | null | null | null | -5.09 | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CN(CN2CCOCC2)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 125.4270764 | 35.44307838 | 0.0 | 35.11917536 | 23.57583074 | 123.1421487 | 59.67785749 | 0.0 | 0 | 0.0 | null | null | null | null | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Mono33'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, -0.5931999999999995] | [29.1, 20.31, 20.31, 29.1, 20.31, 32.78] | 10.61962671 | 0.0 | 0.0 | 0.0 | 149.7099469 | 33.50408606 | 23.57583074 | 182.1519925 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1043 | null | 151.91 | null | 591.6537069 | 0.0 | 86.44886031 | -5.802248305 | 0.0 | -53.77132237 | -35.99504166 | -39.26125964 | -98.77269527 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 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 | 0.345928488 | null |
f4fdc7c605c323b385b0e32b85174ba259adb476570cd8983bf601a198294d07 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,043 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Mono34'] | 42 | 1044 | -5.04 | -5.04 | Circle | 6 | -3.13e-16 | -2.736169018 | -3.46e-16 | -2.872350249 | -2.47e-16 | -1.136362729 | 5.45e-17 | -0.24928777 | 4.940371399 | 3952.485647 | 121.0 | null | null | 100.13531 | 95.04101961 | 25.04101961 | 51.69471109 | 47.35512912 | 12.46070193 | 8.382855447 | 8.382855447 | 4.824250845 | 4.824250845 | 2.986540888 | 2.986540888 | null | null | null | 53.0 | 278.5382687 | 26.12657961 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 69.90868636 | 734.5305986 | 0.788461538 | 1.365384615 | 1.961538462 | 0.846153846 | 115.0 | PEPTIDE1044{L.[Me_dL].[meL].L.[dP].[Mono34]}$PEPTIDE1044,PEPTIDE1044,1:R1-6:R2$$$ | PEPTIDE1044{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Mono34/">[Mono34]</a>}$PEPTIDE1044,PEPTIDE1044,1:R1-6:R2$$$ | -3.22 | 52 | 664.464 | 1044 | null | null | 4.7099999999999996e+39 | 7.761853998 | 20.871106 | 13.32415605 | 411.2811742 | null | 16.90299669 | 0.378727819 | 16.90299669 | 0.245346553 | 2.592111419 | 0.245346553 | -7.511497623 | -0.378727819 | 3.4427 | 201.8174 | 735.024 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 2 | 13 | 0 | 25 | 0 | 2 | 2 | 298 | Cmpd.13 | null | 1.86258148 | -2.094347502 | 34.95612858 | 30.08946234 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 54.81513694 | 81.89008929 | 113.0083547 | 26.28446327 | null | -5.04 | null | null | null | null | null | -5.04 | null | null | null | null | 2 | CC(C)C[C@@H]1NC(=O)CN(CCCOC(C)C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 129.539352 | 35.44307838 | 0.0 | 30.21926563 | 23.57583074 | 149.2988759 | 40.0012181 | 0.0 | 0 | 0.0 | null | null | null | null | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Mono34'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.9322] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.54] | 10.61962671 | 0.0 | 0.0 | 0.0 | 131.2134158 | 33.50408606 | 23.57583074 | 206.3409773 | 0.0 | 2.823684157 | 0.0 | 0 | 2015_Schwochert | 1044 | null | 148.67 | null | 612.2382837 | 0.0 | 88.12755093 | -5.895330971 | 0.0 | -54.2196054 | -36.23124887 | -51.14740819 | -94.12224118 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.275707494 | null |
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