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values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
07d669ed533785aee3b4c7b38871b00eb4234938e3fe3c152db7c6496d6e70bf | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,030 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'Asp_piperidide'] | 88 | 2031 | -5.74 | -5.74 | Circle | 4 | -2.55e-16 | -2.756867132 | -1.98e-16 | -2.885039778 | 1.32e-17 | -1.135763425 | 1.76e-15 | -0.249287767 | 2.687328214 | 8738.598705 | 204.0 | null | -5.74 | 177.6629249 | 166.0820392 | 50.08203921 | 95.01925501 | 83.41438238 | 25.71727971 | 17.56504202 | 17.56504202 | 10.5636057 | 10.5636057 | 6.36580721 | 6.36580721 | null | null | null | null | 547.5885951 | 81.0390889 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 78.1936788 | 1444.873396 | 0.557692308 | 1.038461538 | 1.567307692 | 0.615384615 | 199.0 | PEPTIDE2031{[dP].[meF].L.[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meF].[Asp_piperidide]}$PEPTIDE2031,PEPTIDE2031,1:R1-11:R2$$$ | PEPTIDE2031{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</... | -8.78 | 104 | 1328.928 | 2031 | null | null | 6.68e+85 | 18.08100852 | 38.82472893 | 23.61639351 | 777.844262 | null | 18.44211056 | 0.390716756 | 18.44211056 | 0.247548563 | 2.263577825 | 0.247548563 | -8.109636269 | -0.390716756 | 3.9885 | 394.1216 | 1445.856 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 3 | 3 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 30 | 0 | 3 | 3 | 572 | pd206 | null | -7.035553977 | 4.746401554 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 112.7631952 | 191.4957582 | 72.23259535 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 216.8540135 | 74.40138538 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['dP', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'Asp_piperidide'] | [0.2794999999999998, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.3581999999999996, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 262.8868214 | 81.39008387 | 17.68187306 | 294.7197995 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2031 | null | 308.34 | null | 1073.770058 | 0.0 | 187.7538089 | -9.859879903 | -16.94628268 | -84.22712444 | -119.4793815 | -88.49881732 | -137.5123814 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.135565384 | null |
4650176e2edfc35d7735a7910cbce4fe1567257131e8fce763ccb76dd53c5fea | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,031 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Bal', 'meL', 'meF', 'L', 'meF', 'T', 'meF', 'meL', 'Asp_piperidide'] | 73 | 2032 | -5.77 | -5.77 | Circle | 9 | -2.43e-16 | -2.758089324 | -1.69e-16 | -2.887397622 | 2.22e-18 | -1.135218314 | 1.57e-15 | -0.249287763 | 2.972878055 | 7268.60697 | 195.0 | null | -5.77 | 150.146417 | 140.4628672 | 42.46286715 | 80.47005508 | 70.53263821 | 21.78274914 | 14.68819594 | 14.68819594 | 8.936192568 | 8.936192568 | 5.323923961 | 5.323923961 | null | null | null | null | 467.9432306 | 53.58283426 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 80.93519592 | 1218.741654 | 0.556818182 | 1.022727273 | 1.534090909 | 0.582089552 | 192.0 | PEPTIDE2032{[Me_Bal].[meL].[meF].L.[meF].T.[meF].[meL].[Asp_piperidide]}$PEPTIDE2032,PEPTIDE2032,1:R1-9:R2$$$ | PEPTIDE2032{<a href="/monomers/Me_Bal/">[Me_Bal]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Asp_piperidide/... | -7.68 | 88 | 1120.796 | 2032 | null | null | 1.68e+69 | 15.20269163 | 33.60875437 | 19.91859716 | 658.741919 | null | 17.92546092 | 0.390716755 | 17.92546092 | 0.247773877 | 2.175646032 | 0.247773877 | -7.905033233 | -0.390716755 | 4.0877 | 336.3679 | 1219.58 | Circle | 9 | 9 | null | 4 | 21 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 11 | 4 | 21 | 0 | 28 | 0 | 2 | 2 | 482 | pd207 | null | -3.918562011 | 4.276058418 | 55.33761637 | 48.14313975 | 4.235526235 | 60.50299695 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 131.7476333 | 79.46166906 | 182.790339 | 45.35114828 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O | 186.1410105 | 59.07179729 | 1.431199657 | 50.22880818 | 17.68187306 | 172.2885765 | 61.34554045 | 107.3266351 | 0 | 0.0 | [['PAMPA'], ['Caco2']] | [138, 7574] | [['-4.27'], ['-5.77']] | ['2013_CHUGAI', '2023_Ohta'] | ['Me_Bal', 'meL', 'meF', 'L', 'meF', 'T', 'meF', 'meL', 'Asp_piperidide'] | [0.1369999999999998, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, -0.1918000000000002, 1.3581999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 49.41] | 15.92944006 | 0.0 | 0.0 | 0.0 | 215.4798715 | 67.06414654 | 17.68187306 | 244.4883028 | 90.63628061 | 4.235526235 | 0.0 | 0 | 2018_CHUGAI | 138 | null | 249.7 | null | 895.8038717 | 0.0 | 153.3329675 | -5.854549347 | -9.908061233 | -71.40316205 | -100.5179149 | -80.49222548 | -102.0442595 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 7 | 3 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.179066099 | null |
c54abf9e353e003fb9f1b465c1a2da176498a08295fa8b036daffeb0b0a8ec61 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,032 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meV', 'T', 'meF', 'meD', '-pip'] | 85 | 2033 | -5.77 | -5.77 | Lariat | 6 | -2.72e-16 | -2.759463055 | -2.11e-16 | -2.894148151 | -7.23e-17 | -1.13505402 | 1.74e-15 | -0.249287763 | 3.106109462 | 8603.796103 | 193.0 | null | -5.77 | 177.1629249 | 165.5820392 | 49.58203921 | 94.51925501 | 82.91438238 | 25.21727971 | 17.31504202 | 17.31504202 | 10.42713674 | 10.42713674 | 6.157302961 | 6.157302961 | null | null | null | null | 542.1736046 | 65.96074478 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1432.873396 | 0.563106796 | 1.067961165 | 1.572815534 | 0.61038961 | 189.0 | PEPTIDE2033{[dA].[meL].[meA].[meF].[Ser(tBu)].[meF].L.[meV].T.[meF].[meD].[-pip]}$PEPTIDE2033,PEPTIDE2033,1:R1-11:R3$$$ | PEPTIDE2033{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</... | -8.78 | 103 | 1316.917 | 2033 | null | null | 3.65e+84 | 17.84190683 | 38.65022225 | 23.61984168 | 772.4851511 | null | 18.12383086 | 0.390716755 | 18.12383086 | 0.247773877 | 2.296838194 | 0.247773877 | -8.128336386 | -0.390716755 | 3.8428 | 391.5966 | 1433.845 | Lariat | 12 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 32 | 0 | 2 | 2 | 568 | pd208 | null | -7.083076708 | 4.806434486 | 70.2842024 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 107.3482047 | 193.345484 | 64.36497711 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)N(C)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 217.4569155 | 68.38349291 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['dA', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meV', 'T', 'meF', 'meD', '-pip'] | [-0.2068000000000003, 1.1616, 0.1353999999999999, 1.3581999999999996, 0.5883999999999996, 1.3581999999999996, 0.8193999999999995, 0.7715000000000001, -0.1918000000000002, 1.3581999999999996, -0.2955000000000001, 1.1021] | [29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 38.33, 20.31, 37.38, 3.24] | 21.23925341 | 0.0 | 0.0 | 0.0 | 262.8868214 | 81.39008387 | 17.68187306 | 289.304809 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2033 | null | 308.34 | null | 1070.56757 | 0.0 | 186.9885256 | -9.783642488 | -17.00185544 | -85.51870323 | -128.0047056 | -68.17208511 | -145.3251042 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.144513358 | null |
de0dd9d197f43daba244b7c63cafbe65cd100dcb8eaf29e3870f9734b1d5f2ec | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,033 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'meD', '-pip'] | 84 | 2034 | -5.77 | -5.77 | Lariat | 7 | -2.84e-16 | -2.759421418 | -2e-16 | -2.885300812 | 1.09e-17 | -1.135763461 | 1.16e-15 | -0.249287767 | 3.096548947 | 8605.305878 | 228.0 | null | -5.77 | 177.1629249 | 165.5820392 | 49.58203921 | 94.51925501 | 82.91438238 | 25.21727971 | 17.20323862 | 17.20323862 | 10.21499891 | 10.21499891 | 6.059662271 | 6.059662271 | null | null | null | null | 542.1736046 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 86.41823014 | 1432.873396 | 0.563106796 | 1.029126214 | 1.533980583 | 0.61038961 | 226.0 | PEPTIDE2034{A.[meF].L.[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meF].[meD].[-pip]}$PEPTIDE2034,PEPTIDE2034,1:R1-11:R3$$$ | PEPTIDE2034{<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<... | -8.78 | 103 | 1316.917 | 2034 | null | null | 2.84e+85 | 17.84190683 | 39.19566036 | 24.69811281 | 772.4851511 | null | 18.50185678 | 0.390716756 | 18.50185678 | 0.247548563 | 2.255364537 | 0.247548563 | -8.136262358 | -0.390716756 | 3.8444 | 391.6186 | 1433.845 | Lariat | 12 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 32 | 0 | 2 | 2 | 568 | pd209 | null | -7.119562105 | 5.061779705 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 106.8692375 | 191.9747254 | 72.23259535 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 210.9600558 | 74.8803526 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['A', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'meD', '-pip'] | [-0.2068000000000003, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.3581999999999996, -0.2955000000000001, 1.1021] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 37.38, 3.24] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3657886 | 81.39008387 | 17.68187306 | 288.8258418 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2034 | null | 308.34 | null | 1069.063156 | 0.0 | 186.4269137 | -9.746326486 | -17.03844389 | -84.55513303 | -120.030559 | -75.56997791 | -144.7996289 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.136198956 | null |
4563616ad11361c0a2602fd582593e7e4d2d4a300c922d57251f2565f348abf4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,034 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'V', 'meF', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 88 | 2035 | -5.8 | -5.8 | Circle | 2 | -2.91e-16 | -2.758003762 | -2.43e-16 | -2.890855632 | -3.44e-17 | -1.135200406 | 1.67e-15 | -0.249287763 | 3.098413255 | 8593.305878 | 210.0 | null | -5.8 | 177.1629249 | 165.5820392 | 49.58203921 | 94.55793014 | 82.88798918 | 25.24367291 | 17.22963183 | 17.22963183 | 10.23185536 | 10.23185536 | 6.056788752 | 6.056788752 | null | null | null | null | 541.9806062 | 66.00182831 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1432.873396 | 0.553398058 | 1.009708738 | 1.475728155 | 0.61038961 | 202.0 | PEPTIDE2035{[dV].[meF].V.[meF].T.[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2035,PEPTIDE2035,1:R1-11:R2$$$ | PEPTIDE2035{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</... | -8.78 | 103 | 1316.917 | 2035 | null | null | 8.79e+84 | 17.84190683 | 39.19566036 | 24.69811281 | 772.3332362 | null | 18.32826924 | 0.390716756 | 18.32826924 | 0.247548565 | 2.235243686 | 0.247548565 | -8.270240025 | -0.390716756 | 3.7482 | 391.5383 | 1433.845 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 6 | 26 | 0 | 32 | 0 | 2 | 2 | 568 | pd210 | null | -7.407236548 | 4.896988044 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 145.4514176 | 99.53837819 | 183.62814 | 72.23259535 | null | -5.8 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 225.2227689 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 211.439023 | 67.9045257 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'V', 'meF', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.4292999999999995, 1.3581999999999996, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 81.39008387 | 23.57583074 | 287.9340505 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2035 | null | 317.13 | null | 1069.39014 | 0.0 | 189.7288398 | -13.15521157 | -16.94253858 | -92.40558906 | -119.8114661 | -68.17656285 | -144.8776119 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119093687 | null |
33bde73305b0b11bd442d0fa08175b974c40915a5799ddb78cd8f677b2c80089 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,036 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'T', 'meA', 'meL', 'V', 'meF', 'F', 'meL', 'D', 'meF', 'A', '-pip'] | 75 | 2037 | -5.85 | -5.85 | Lariat | 2 | -2.39e-16 | -2.756689058 | -1.75e-16 | -2.888214917 | 3.56e-17 | -1.135211814 | 1.81e-15 | -0.249287763 | 2.994073515 | 8012.382453 | 219.0 | null | -5.85 | 163.9558181 | 152.6737909 | 46.67379092 | 87.85082336 | 76.47974089 | 23.83542462 | 16.20612486 | 16.20612486 | 9.912989367 | 9.912989367 | 5.756317064 | 5.756317064 | null | null | null | null | 509.743861 | 56.40651841 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 89.15974725 | 1346.800231 | 0.628865979 | 1.164948454 | 1.701030928 | 0.583333333 | 216.0 | PEPTIDE2037{[meA].T.[meA].[meL].V.[meF].F.[meL].D.[meF].A.[-pip]}$PEPTIDE2037,PEPTIDE2037,1:R1-9:R3$$$ | PEPTIDE2037{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/D/">D</a>.<a href="/monomer... | -8.74 | 97 | 1240.863 | 2037 | null | null | 3.72e+77 | 17.09716633 | 36.5623834 | 21.62688575 | 721.3452754 | null | 18.17682469 | 0.390716755 | 18.17682469 | 0.247752851 | 2.074906832 | 0.247752851 | -8.350159461 | -0.390716755 | 2.7054 | 366.9383 | 1347.711 | Lariat | 12 | 9 | null | 6 | 25 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 13 | 6 | 25 | 0 | 34 | 0 | 2 | 2 | 532 | pd212 | null | -5.873686548 | 4.236279615 | 65.95724307 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 93.64442051 | 174.0328301 | 49.46342394 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C | 206.7783204 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 198.1520805 | 54.84868077 | 107.3266351 | 0 | 0.0 | [['PAMPA']] | [397] | [['-4.27']] | ['2013_CHUGAI'] | ['meA', 'T', 'meA', 'meL', 'V', 'meF', 'F', 'meL', 'D', 'meF', 'A', '-pip'] | [0.1353999999999999, -0.1918000000000002, 0.1353999999999999, 1.1616, 0.4292999999999995, 1.3581999999999996, 1.0159999999999998, 1.1616, -0.6377000000000004, 1.3581999999999996, -0.2068000000000003, 1.1021] | [20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 46.17, 20.31, 29.1, 3.24] | 26.54906677 | 0.0 | 0.0 | 0.0 | 238.8510487 | 76.65322091 | 17.68187306 | 260.5226807 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 397 | null | 307.9 | null | 966.7264541 | 0.0 | 187.416094 | -12.40777627 | -10.03078713 | -82.91168154 | -123.6868603 | -65.83366189 | -115.271781 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.113481177 | null |
027b1444e74b6fbd2554f5be44958737a44f6db3c96bef44ec06ef8d74d7fc99 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,037 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meV', 'T', 'meF', 'meD', '-pip'] | 86 | 2038 | -5.89 | -5.89 | Lariat | 9 | -3.01e-16 | -2.759935022 | -2.18e-16 | -2.89390941 | -3.87e-17 | -1.135054199 | 1.37e-15 | -0.249287763 | 3.144896183 | 8722.394705 | 221.0 | null | -5.89 | 179.6629249 | 168.0820392 | 50.08203921 | 95.73057987 | 84.19077558 | 25.4408865 | 17.53864882 | 17.53864882 | 10.64048538 | 10.64048538 | 6.233075584 | 6.233075584 | null | null | null | null | 548.7395279 | 70.03193693 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 91.90126436 | 1446.889046 | 0.548076923 | 1.019230769 | 1.509615385 | 0.615384615 | 220.0 | PEPTIDE2038{[meA].[meL].[meA].[meF].[Ser(tBu)].[meF].L.[meV].T.[meF].[meD].[-pip]}$PEPTIDE2038,PEPTIDE2038,1:R1-11:R3$$$ | PEPTIDE2038{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T... | -8.78 | 104 | 1328.928 | 2038 | null | null | 2.66e+86 | 17.91491526 | 38.82472893 | 23.10912888 | 781.811949 | null | 18.2324479 | 0.390716755 | 18.2324479 | 0.247773877 | 2.314726613 | 0.247773877 | -8.163021644 | -0.390716755 | 4.185 | 396.2239 | 1447.872 | Lariat | 12 | 11 | null | 4 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 4 | 26 | 0 | 33 | 0 | 2 | 2 | 574 | pd213 | null | -7.201164808 | 4.961107949 | 69.87429878 | 66.19681715 | 4.235526235 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 107.3482047 | 204.4335865 | 64.36497711 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)N(C)C1=O | 227.882119 | 70.88615675 | 1.431199657 | 60.02862764 | 17.68187306 | 217.4569155 | 75.35931981 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['meA', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meV', 'T', 'meF', 'meD', '-pip'] | [0.1353999999999999, 1.1616, 0.1353999999999999, 1.3581999999999996, 0.5883999999999996, 1.3581999999999996, 0.8193999999999995, 0.7715000000000001, -0.1918000000000002, 1.3581999999999996, -0.2955000000000001, 1.1021] | [20.31, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 38.33, 20.31, 37.38, 3.24] | 15.92944006 | 0.0 | 0.0 | 0.0 | 274.762558 | 81.39008387 | 17.68187306 | 293.4170847 | 90.63628061 | 4.235526235 | 0.0 | 0 | 2018_CHUGAI | 2038 | null | 299.55 | null | 1091.860645 | 0.0 | 184.8406858 | -6.615588991 | -17.10520196 | -86.47979711 | -129.2442121 | -68.8541086 | -153.4024217 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 3 | 0 | 0 | 8 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.166058686 | null |
2fde7a2a32ddc5621a182428b905381627dbc0c38d632826fdf4ffb8ff50ecdf | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,038 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meL', 'T', 'meF', 'Asp_piperidide'] | 87 | 2039 | -5.92 | -5.92 | Circle | 7 | -2.82e-16 | -2.756904749 | -1.85e-16 | -2.892464559 | -1.04e-17 | -1.135763122 | 1.29e-15 | -0.249287767 | 2.716772974 | 8861.40646 | 225.0 | null | -5.92 | 180.1629249 | 168.5820392 | 50.58203921 | 96.26925501 | 84.66438238 | 25.96727971 | 17.80184542 | 17.80184542 | 10.78234184 | 10.78234184 | 6.472481532 | 6.472481532 | null | null | null | null | 553.96152 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 89.15974725 | 1458.889046 | 0.552380952 | 1.019047619 | 1.523809524 | 0.620253165 | 207.0 | PEPTIDE2039{P.[meL].[meA].[meF].[Ser(tBu)].[meF].L.[meL].T.[meF].[Asp_piperidide]}$PEPTIDE2039,PEPTIDE2039,1:R1-11:R2$$$ | PEPTIDE2039{<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<... | -8.78 | 105 | 1340.939 | 2039 | null | null | 1.77e+88 | 18.1535414 | 39.00144969 | 23.60705938 | 787.0191451 | null | 18.19314453 | 0.390716755 | 18.19314453 | 0.247773756 | 2.301991134 | 0.247773756 | -8.208749018 | -0.390716755 | 4.377 | 398.7166 | 1459.883 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 3 | 3 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 31 | 0 | 3 | 3 | 578 | pd214 | null | -7.350292682 | 4.523718557 | 70.2842024 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 119.6150873 | 195.6080339 | 64.36497711 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 227.9232025 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 229.7237981 | 67.9045257 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['P', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meL', 'T', 'meF', 'Asp_piperidide'] | [0.2794999999999998, 1.1616, 0.1353999999999999, 1.3581999999999996, 0.5883999999999996, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 1.3581999999999996, 0.1758999999999995] | [20.31, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 262.4078541 | 81.39008387 | 17.68187306 | 304.3132087 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2039 | null | 308.34 | null | 1095.251326 | 0.0 | 188.6797574 | -9.949541989 | -17.03560932 | -85.25029134 | -128.293482 | -89.09229443 | -138.0598648 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.133064154 | null |
79e56e0362266aaa2527a71cbaa9c9a737d424169f167ff4caa8e804e7179dd0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,039 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'Asp_piperidide'] | 88 | 2040 | -5.92 | -5.92 | Circle | 1 | -2.77e-16 | -2.757045383 | -2.52e-16 | -2.888944243 | -2.99e-17 | -1.135763421 | 1.21e-15 | -0.249287767 | 3.122508224 | 8717.414255 | 240.0 | null | -5.92 | 179.6629249 | 168.0820392 | 50.08203921 | 95.80793014 | 84.13798918 | 25.49367291 | 17.35463183 | 17.35463183 | 10.23845366 | 10.23845366 | 6.093773234 | 6.093773234 | null | null | null | null | 548.3535311 | 75.5971382 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 86.41823014 | 1446.889046 | 0.548076923 | 1.019230769 | 1.528846154 | 0.615384615 | 234.0 | PEPTIDE2040{[dV].[meF].L.[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meF].[Asp_piperidide]}$PEPTIDE2040,PEPTIDE2040,1:R1-11:R2$$$ | PEPTIDE2040{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</... | -8.78 | 104 | 1328.928 | 2040 | null | null | 1.21e+87 | 17.91491526 | 39.91663826 | 25.24258747 | 781.5081193 | null | 18.43717936 | 0.390716756 | 18.43717936 | 0.247548563 | 2.309874121 | 0.247548563 | -8.129344947 | -0.390716756 | 4.1383 | 396.1553 | 1447.872 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 6 | 26 | 0 | 33 | 0 | 2 | 2 | 574 | pd215 | null | -7.641653645 | 4.996876875 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 145.4514176 | 105.9113031 | 186.3696571 | 72.23259535 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 227.964286 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 217.8119479 | 67.9045257 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.3581999999999996, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 81.39008387 | 23.57583074 | 297.0484925 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2040 | null | 317.13 | null | 1088.872169 | 0.0 | 190.296629 | -13.40514694 | -17.09273866 | -92.39142077 | -120.9056851 | -75.82314624 | -144.5506598 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.110751748 | null |
a271af78a47bfda86b45a2a48b8340be1106828b05d30cbecc14752974cf3d38 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,040 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'T', 'meF', 'meL', 'Asp_piperidide'] | 91 | 2041 | -5.92 | -5.92 | Circle | 4 | -2.82e-16 | -2.758220678 | -2.36e-16 | -2.893221328 | -8.48e-17 | -1.13523695 | 1.04e-15 | -0.249287763 | 3.139160005 | 9085.415756 | 208.0 | null | -5.92 | 187.1629249 | 175.5820392 | 51.58203921 | 99.51925501 | 87.91438238 | 26.21727971 | 17.82823862 | 17.82823862 | 10.58149319 | 10.58149319 | 6.245073776 | 6.245073776 | null | null | null | null | 567.6653042 | 82.40984746 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 87.7889887 | 1488.935997 | 0.523364486 | 0.962616822 | 1.420560748 | 0.62962963 | 206.0 | PEPTIDE2041{[Mono6].[meL].V.[meF].[meF].[Ser(tBu)].[meL].T.[meF].[meL].[Asp_piperidide]}$PEPTIDE2041,PEPTIDE2041,1:R1-11:R2$$$ | PEPTIDE2041{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[... | -8.78 | 107 | 1364.961 | 2041 | null | null | 4.29e+90 | 18.14049641 | 41.5291168 | 26.25827627 | 809.1846835 | null | 18.43275864 | 0.390716755 | 18.43275864 | 0.247773876 | 2.349938123 | 0.247773876 | -8.329735314 | -0.390716755 | 5.2607 | 410.0166 | 1489.953 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 34 | 0 | 2 | 2 | 592 | pd216 | null | -8.165021105 | 5.068620896 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 145.4514176 | 112.284228 | 218.5520956 | 62.99421855 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CCCC(=O)N1C | 236.1477539 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 230.5577977 | 74.8803526 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(tBu)', 'meL', 'T', 'meF', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.4292999999999995, 1.3581999999999996, 1.3581999999999996, 0.5883999999999996, 1.1616, -0.1918000000000002, 1.3581999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3657886 | 81.39008387 | 23.57583074 | 319.3896522 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2041 | null | 308.34 | null | 1147.867744 | 0.0 | 187.7428397 | -10.22572689 | -17.34379649 | -93.29304099 | -122.5513749 | -90.91791323 | -152.5287312 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.115214707 | null |
92a014186032279f9647d675a9294ec247130d915b45fe831f418088d2d17207 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,041 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'Asp_piperidide'] | 87 | 2042 | -5.96 | -5.96 | Circle | 2 | -2.57e-16 | -2.756765905 | -2.07e-16 | -2.886626918 | -9.86e-18 | -1.135763456 | 1.78e-15 | -0.249287767 | 3.051564863 | 8486.908676 | 259.0 | null | -5.96 | 174.6629249 | 163.0820392 | 49.08203921 | 93.30793014 | 81.63798918 | 24.99367291 | 16.97963183 | 16.97963183 | 10.00165026 | 10.00165026 | 5.930938798 | 5.930938798 | null | null | null | null | 535.6076813 | 61.88955264 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 94.64278148 | 1418.857746 | 0.568627451 | 1.039215686 | 1.549019608 | 0.605263158 | 247.0 | PEPTIDE2042{A.[meF].L.[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meF].[Asp_piperidide]}$PEPTIDE2042,PEPTIDE2042,1:R1-11:R2$$$ | PEPTIDE2042{<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<... | -8.78 | 102 | 1304.906 | 2042 | null | null | 1.93e+84 | 17.77007488 | 39.02881166 | 24.74569438 | 763.1583531 | null | 18.33157617 | 0.390716756 | 18.33157617 | 0.247548563 | 2.232968704 | 0.247548563 | -8.080787151 | -0.390716756 | 3.5022 | 386.9913 | 1419.818 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 6 | 26 | 0 | 31 | 0 | 2 | 2 | 562 | pd217 | null | -6.989229874 | 4.852380672 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 106.8692375 | 180.8866229 | 72.23259535 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 222.4812518 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 210.9600558 | 67.9045257 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['A', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.3581999999999996, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 81.39008387 | 17.68187306 | 284.7135661 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2042 | null | 317.13 | null | 1047.192508 | 0.0 | 188.491745 | -12.87066259 | -16.81648668 | -83.60746312 | -118.432716 | -74.68601175 | -136.7709131 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119676222 | null |
99379b45bad7b5dea2b4e379cae3160fad4d07f9664c58b9ffa93aa2d09ccd71 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,043 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dP', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meV', 'T', 'meF', 'meD', '-pip'] | 85 | 2044 | -5.96 | -5.96 | Lariat | 1 | -2.82e-16 | -2.75957787 | -2.04e-16 | -2.893734169 | -2.98e-18 | -1.13504448 | 1.64e-15 | -0.249287763 | 2.73005234 | 8855.896685 | 194.0 | null | -5.96 | 180.1629249 | 168.5820392 | 50.58203921 | 96.23057987 | 84.69077558 | 25.9408865 | 17.90045222 | 17.90045222 | 10.98909218 | 10.98909218 | 6.592171373 | 6.592171373 | null | null | null | null | 554.1545183 | 82.36876394 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 79.56443736 | 1458.889046 | 0.571428571 | 1.085714286 | 1.60952381 | 0.620253165 | 195.0 | PEPTIDE2044{[dP].[meL].[meA].[meF].[Ser(tBu)].[meF].L.[meV].T.[meF].[meD].[-pip]}$PEPTIDE2044,PEPTIDE2044,1:R1-11:R3$$$ | PEPTIDE2044{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</... | -8.78 | 105 | 1340.939 | 2044 | null | null | 1.62e+88 | 18.1535414 | 38.47696064 | 22.6297495 | 787.17106 | null | 18.29874419 | 0.390716755 | 18.29874419 | 0.247773877 | 2.3120389 | 0.247773877 | -8.148896567 | -0.390716755 | 4.3291 | 398.7269 | 1459.883 | Lariat | 12 | 11 | null | 4 | 26 | null | null | 0 | 3 | 3 | 3 | 0 | 3 | 14 | 4 | 26 | 0 | 31 | 0 | 3 | 3 | 578 | pd219 | null | -7.105070743 | 4.6703788 | 69.87429878 | 66.19681715 | 4.235526235 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 113.2421624 | 203.9546193 | 64.36497711 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)N(C)C1=O | 227.882119 | 70.88615675 | 1.431199657 | 60.02862764 | 17.68187306 | 223.3508732 | 74.8803526 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['dP', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meV', 'T', 'meF', 'meD', '-pip'] | [0.2794999999999998, 1.1616, 0.1353999999999999, 1.3581999999999996, 0.5883999999999996, 1.3581999999999996, 0.8193999999999995, 0.7715000000000001, -0.1918000000000002, 1.3581999999999996, -0.2955000000000001, 1.1021] | [20.31, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 38.33, 20.31, 37.38, 3.24] | 15.92944006 | 0.0 | 0.0 | 0.0 | 274.2835908 | 81.39008387 | 17.68187306 | 299.3110424 | 90.63628061 | 4.235526235 | 0.0 | 0 | 2018_CHUGAI | 2044 | null | 299.55 | null | 1097.324382 | 0.0 | 186.0695455 | -6.587552647 | -17.09003785 | -86.16138366 | -128.9239874 | -82.13551231 | -146.2454533 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 3 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.164805053 | null |
6f584a049ef11b881b4d633457410490adda9897e3146b40a882d55e84c0ade0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,044 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meL', 'T', 'meF', 'Asp_piperidide'] | 88 | 2045 | -5.96 | -5.96 | Circle | 8 | -2.79e-16 | -2.756810351 | -1.4e-16 | -2.893310661 | -4.5e-17 | -1.135763128 | 8.97e-16 | -0.249287767 | 3.092134385 | 8609.305878 | 228.0 | null | -5.96 | 177.1629249 | 165.5820392 | 49.58203921 | 94.55793014 | 82.88798918 | 25.24367291 | 17.21643522 | 17.21643522 | 10.2203864 | 10.2203864 | 6.037613121 | 6.037613121 | null | null | null | null | 541.9806062 | 66.00182831 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1432.873396 | 0.54368932 | 1.0 | 1.485436893 | 0.61038961 | 236.0 | PEPTIDE2045{[dA].[meL].[meA].[meF].[Ser(tBu)].[meF].L.[meL].T.[meF].[Asp_piperidide]}$PEPTIDE2045,PEPTIDE2045,1:R1-11:R2$$$ | PEPTIDE2045{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</... | -8.78 | 103 | 1316.917 | 2045 | null | null | 3.21e+84 | 17.84190683 | 39.19566036 | 24.69811281 | 772.3332362 | null | 18.14250161 | 0.390716755 | 18.14250161 | 0.247773756 | 2.277477913 | 0.247773756 | -8.1798999 | -0.390716755 | 3.8907 | 391.5863 | 1433.845 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 6 | 26 | 0 | 32 | 0 | 2 | 2 | 568 | pd220 | null | -7.352041647 | 4.73982472 | 70.69410603 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 113.7211296 | 184.9988985 | 64.36497711 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 225.2227689 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 223.8298404 | 61.40766601 | 107.3266351 | 0 | 0.0 | [['Caco2']] | [7898] | [['-5.85']] | ['2023_Ohta'] | ['dA', 'meL', 'meA', 'meF', 'Ser(tBu)', 'meF', 'L', 'meL', 'T', 'meF', 'Asp_piperidide'] | [-0.2068000000000003, 1.1616, 0.1353999999999999, 1.3581999999999996, 0.5883999999999996, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 1.3581999999999996, 0.1758999999999995] | [29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 38.33, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.0110847 | 81.39008387 | 17.68187306 | 294.3069754 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2045 | null | 317.13 | null | 1068.706125 | 0.0 | 189.4838768 | -13.03077112 | -16.94742691 | -84.6103397 | -127.3742001 | -75.22898696 | -137.2482767 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118624408 | null |
8eaeb5097760bd47868adad4495677b69adbffe780bf30ea701120169e11fc1b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,045 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'V', 'meF', 'meF', 'Asp_piperidide'] | 81 | 2046 | -5.96 | -5.96 | Circle | 8 | -3.04e-16 | -2.757054354 | -1.91e-16 | -2.888397713 | -6.12e-17 | -1.135763565 | 1.07e-15 | -0.249287767 | 3.079732613 | 8472.211327 | 238.0 | null | -5.96 | 173.9558181 | 162.6737909 | 48.67379092 | 92.85082336 | 81.47974089 | 24.83542462 | 16.84432146 | 16.84432146 | 10.17445833 | 10.17445833 | 6.065246943 | 6.065246943 | null | null | null | null | 535.2355606 | 68.74334542 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 87.7889887 | 1402.862832 | 0.504950495 | 0.940594059 | 1.415841584 | 0.605263158 | 225.0 | PEPTIDE2046{[dV].[meF].L.[meL].T.[Sar].[meL].V.[meF].[meF].[Asp_piperidide]}$PEPTIDE2046,PEPTIDE2046,1:R1-11:R2$$$ | PEPTIDE2046{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/mon... | -8.74 | 101 | 1288.907 | 2046 | null | null | 1.5799999999999998e+83 | 17.38045169 | 38.89358874 | 23.67165457 | 758.0448079 | null | 18.28682952 | 0.390716756 | 18.28682952 | 0.247548563 | 2.29282097 | 0.247548563 | -8.039542744 | -0.390716756 | 3.9792 | 385.2883 | 1403.819 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 13 | 6 | 25 | 0 | 34 | 0 | 2 | 2 | 556 | pd221 | null | -7.021292311 | 4.646968075 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 159.1552018 | 91.24958443 | 183.62814 | 57.33104219 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)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]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 217.7443889 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 205.359005 | 61.34554045 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'V', 'meF', 'meF', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.3581999999999996, 1.3581999999999996, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 239.3300159 | 76.65322091 | 29.46978843 | 284.7135661 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2046 | null | 307.9 | null | 1047.273286 | 0.0 | 189.4340486 | -13.16213937 | -10.31843368 | -98.7238276 | -119.4914005 | -75.21674128 | -130.7947923 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118456093 | null |
0e397dda5e9dc2e0d4686c7fdd4beab102fabe3bd3ea31be9867b72b3d59be18 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,046 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'I', 'meL', 'meL', 'F', 'meV', 'meA', 'T', 'Sar', 'meF', 'D', 'meF', 'A', '-pip'] | 91 | 2047 | -5.96 | -5.96 | Lariat | 4 | -2.48e-16 | -2.756680344 | -2.11e-16 | -2.883906661 | 2.57e-19 | -1.136048227 | 1.38e-15 | -0.249287767 | 3.086914357 | 9378.195519 | 257.0 | null | -5.96 | 190.2652192 | 177.3847147 | 53.38471469 | 101.4042414 | 88.72962996 | 27.0853137 | 18.44766058 | 18.44766058 | 11.31460377 | 11.31460377 | 6.533760709 | 6.533760709 | null | null | null | null | 583.7951127 | 64.63106975 | 67.12352058 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 105.6088499 | 1544.937059 | 0.603603604 | 1.189189189 | 1.738738739 | 0.609756098 | 266.0 | PEPTIDE2047{[Me_dA].I.[meL].[meL].F.[meV].[meA].T.[Sar].[meF].D.[meF].A.[-pip]}$PEPTIDE2047,PEPTIDE2047,1:R1-11:R3$$$ | PEPTIDE2047{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href... | -9.8 | 111 | 1420.985 | 2047 | null | null | 1.0100000000000001e+93 | 19.34134755 | 42.56589417 | 25.10109637 | 830.1268771 | null | 18.30379206 | 0.390716756 | 18.30379206 | 0.247548562 | 2.135251915 | 0.247548562 | -8.494101914 | -0.390716756 | 3.0369 | 420.5883 | 1545.977 | Lariat | 14 | 11 | null | 6 | 29 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 15 | 6 | 29 | 0 | 40 | 0 | 2 | 2 | 612 | pd222 | null | -8.340450634 | 4.802070701 | 75.75706254 | 72.21470962 | 7.059210392 | 84.13171587 | 0.0 | 0.0 | 67.12352058 | 0.0 | 0.0 | 0.0 | 151.8243425 | 99.53837819 | 208.5458622 | 60.0725593 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)C[C@@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 241.0410488 | 82.70051621 | 1.431199657 | 70.64825434 | 23.57583074 | 224.2466821 | 75.29719426 | 107.3266351 | 0 | 0.0 | [['PAMPA']] | [194] | [['-4.54']] | ['2013_CHUGAI'] | ['Me_dA', 'I', 'meL', 'meL', 'F', 'meV', 'meA', 'T', 'Sar', 'meF', 'D', 'meF', 'A', '-pip'] | [0.1353999999999999, 0.8193999999999999, 1.1616, 1.1616, 1.0159999999999998, 0.7715000000000001, 0.1353999999999999, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, -0.6377000000000004, 1.3581999999999996, -0.2068000000000003, 1.1021] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 46.17, 20.31, 29.1, 3.24] | 26.54906677 | 0.0 | 0.0 | 0.0 | 286.9316335 | 86.24229528 | 23.57583074 | 305.2730438 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 194 | null | 348.52 | null | 1137.785895 | 0.0 | 217.1997886 | -12.98640345 | -10.31375279 | -103.9603497 | -135.2987211 | -74.252137 | -152.8409861 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 14 | 0 | 0 | 0 | 9 | 5 | 0 | 0 | 8 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.100481853 | null |
77ada0c97c2cf4e48ceb28c187d55797e8bb28ecdbc0495b2bc775513c84dfbc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,047 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'meL', 'meF', 'L', 'meF', 'T', 'meF', 'meL', 'Asp_piperidide'] | 72 | 2048 | -5.96 | -5.96 | Circle | 5 | -2.77e-16 | -2.75817851 | -1.59e-16 | -2.889146236 | -1.53e-17 | -1.13521033 | 1.61e-15 | -0.249287763 | 3.026073313 | 7267.097195 | 173.0 | null | -5.96 | 150.146417 | 140.4628672 | 42.46286715 | 80.47005508 | 70.53263821 | 21.78274914 | 14.79999934 | 14.79999934 | 9.087737814 | 9.087737814 | 5.416616657 | 5.416616657 | null | null | null | null | 467.9432306 | 57.69510993 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 76.82292025 | 1218.741654 | 0.556818182 | 1.0 | 1.5 | 0.582089552 | 172.0 | PEPTIDE2048{[Me_dA].[meL].[meF].L.[meF].T.[meF].[meL].[Asp_piperidide]}$PEPTIDE2048,PEPTIDE2048,1:R1-9:R2$$$ | PEPTIDE2048{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Asp_piperidide/">... | -7.68 | 88 | 1120.796 | 2048 | null | null | 2.05e+69 | 15.20269163 | 33.05698646 | 19.16140175 | 658.741919 | null | 17.96398478 | 0.390716755 | 17.96398478 | 0.247773877 | 2.185933073 | 0.247773877 | -7.967881098 | -0.390716755 | 4.0861 | 336.3459 | 1219.58 | Circle | 9 | 9 | null | 4 | 21 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 11 | 4 | 21 | 0 | 29 | 0 | 2 | 2 | 482 | pd223 | null | -4.148871867 | 4.293864249 | 55.33761637 | 54.16103222 | 4.235526235 | 60.50299695 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 131.7476333 | 86.31356117 | 168.5497959 | 46.72190683 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O | 186.1410105 | 59.07179729 | 1.431199657 | 50.22880818 | 17.68187306 | 178.7854362 | 54.84868077 | 107.3266351 | 0 | 0.0 | [['PAMPA'], ['Caco2']] | [452, 7734] | [['-4.43'], ['-5.96']] | ['2013_CHUGAI', '2023_Ohta'] | ['Me_dA', 'meL', 'meF', 'L', 'meF', 'T', 'meF', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, -0.1918000000000002, 1.3581999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 49.41] | 15.92944006 | 0.0 | 0.0 | 0.0 | 215.0009043 | 67.06414654 | 17.68187306 | 244.96727 | 90.63628061 | 4.235526235 | 0.0 | 0 | 2018_CHUGAI | 452 | null | 249.7 | null | 898.3351998 | 0.0 | 154.3966489 | -5.942823718 | -9.965033521 | -72.3769741 | -108.8113194 | -74.00223692 | -102.7167945 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 7 | 3 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.179078038 | null |
6f07229a21fad6c8471d02e79fa5030ab0f3fac97678a412a7be6ccba2911728 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,048 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'meD', '-pip'] | 85 | 2049 | -6.0 | -6 | Lariat | 8 | -2.84e-16 | -2.759421418 | -2e-16 | -2.885300812 | 1.09e-17 | -1.135763461 | 1.16e-15 | -0.249287767 | 3.096548947 | 8605.305878 | 206.0 | null | -6.0 | 177.1629249 | 165.5820392 | 49.58203921 | 94.51925501 | 82.91438238 | 25.21727971 | 17.20323862 | 17.20323862 | 10.21499891 | 10.21499891 | 6.059662271 | 6.059662271 | null | null | null | null | 542.1736046 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 86.41823014 | 1432.873396 | 0.563106796 | 1.029126214 | 1.533980583 | 0.61038961 | 202.0 | PEPTIDE2049{[dA].[meF].L.[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meF].[meD].[-pip]}$PEPTIDE2049,PEPTIDE2049,1:R1-11:R3$$$ | PEPTIDE2049{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</... | -8.78 | 103 | 1316.917 | 2049 | null | null | 2.84e+85 | 17.84190683 | 39.19566036 | 24.69811281 | 772.4851511 | null | 18.50185678 | 0.390716756 | 18.50185678 | 0.247548563 | 2.255364537 | 0.247548563 | -8.136262358 | -0.390716756 | 3.8444 | 391.6186 | 1433.845 | Lariat | 12 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 32 | 0 | 2 | 2 | 568 | pd224 | null | -7.119562105 | 5.061779705 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 106.8692375 | 191.9747254 | 72.23259535 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 210.9600558 | 74.8803526 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['dA', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meF', 'meD', '-pip'] | [-0.2068000000000003, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.3581999999999996, -0.2955000000000001, 1.1021] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 37.38, 3.24] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3657886 | 81.39008387 | 17.68187306 | 288.8258418 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2049 | null | 308.34 | null | 1069.063156 | 0.0 | 186.4269137 | -9.746326486 | -17.03844389 | -84.55513303 | -120.030559 | -75.56997791 | -144.7996289 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.136198956 | null |
4b85b20d1a7633677f554dbb18013698742c3980038d1cbafb2f750b7b257581 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,049 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'L', 'meF', 'T', 'Sar', 'meL', 'I', 'meF', 'meL', 'Asp_piperidide'] | 81 | 2050 | -6.0 | -6 | Circle | 3 | -2.79e-16 | -2.758081056 | -2.44e-16 | -2.887342831 | -9.67e-17 | -1.135238006 | 1.02e-15 | -0.249287763 | 3.131517113 | 8736.116791 | 222.0 | null | -6.0 | 178.9558181 | 167.6737909 | 49.67379092 | 95.35082336 | 83.97974089 | 25.33542462 | 17.09432146 | 17.09432146 | 10.30605663 | 10.30605663 | 6.161432275 | 6.161432275 | null | null | null | null | 547.9814104 | 78.33865531 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 83.67671303 | 1430.894132 | 0.514563107 | 0.961165049 | 1.436893204 | 0.615384615 | 219.0 | PEPTIDE2050{[dL].[meF].L.[meF].T.[Sar].[meL].I.[meF].[meL].[Asp_piperidide]}$PEPTIDE2050,PEPTIDE2050,1:R1-11:R2$$$ | PEPTIDE2050{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/mon... | -8.74 | 103 | 1312.929 | 2050 | null | null | 9.029999999999999e+84 | 17.52935193 | 40.35103163 | 24.71922497 | 776.3945741 | null | 18.34358582 | 0.390716756 | 18.34358582 | 0.247548565 | 2.266741856 | 0.247548565 | -8.300271469 | -0.390716756 | 4.7594 | 394.5223 | 1431.873 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 13 | 6 | 25 | 0 | 36 | 0 | 2 | 2 | 568 | pd225 | null | -7.559978086 | 4.819555662 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 165.5281267 | 97.62250933 | 189.1111742 | 57.33104219 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 223.2274231 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 218.1048548 | 61.34554045 | 107.3266351 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'L', 'meF', 'T', 'Sar', 'meL', 'I', 'meF', 'meL', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.8193999999999999, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 239.3300159 | 76.65322091 | 29.46978843 | 302.9424502 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2050 | null | 307.9 | null | 1087.766035 | 0.0 | 190.4742525 | -13.42610733 | -10.44017977 | -99.98251003 | -121.0724238 | -90.47449568 | -131.3445706 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.100263089 | null |
18b05fda6bbe028c0bbd2533fcb5aa73137798df2d8edc05a8027a5bb90e11bf | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,050 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'meF', 'L', 'meL', 'T', 'meA', 'Me_Tza', 'F', 'meF', 'meL', 'Asp_piperidide'] | 85 | 2051 | -6.17 | -6.17 | Circle | 8 | -2.29e-16 | -2.758088334 | -1.49e-16 | -2.886735675 | 9.78e-17 | -1.135762841 | 2.12e-15 | -0.249287767 | 2.666286109 | 8720.190165 | 243.0 | null | -6.17 | 173.1020825 | 161.0292528 | 50.84574939 | 93.2218504 | 80.86159597 | 26.48098988 | 17.43555309 | 18.02637557 | 10.72053582 | 11.19852125 | 6.331506461 | 6.707429812 | null | null | null | null | 550.0771612 | 68.7022619 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 10.09278671 | 83.67671303 | 1457.814502 | 0.538461538 | 0.990384615 | 1.490384615 | 0.571428571 | 207.0 | PEPTIDE2051{[meA].[meF].L.[meL].T.[meA].[Me_Tza].F.[meF].[meL].[Asp_piperidide]}$PEPTIDE2051,PEPTIDE2051,1:R1-11:R2$$$ | PEPTIDE2051{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_Tza/">[Me_Tza]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meF/">[meF]</a>.<a hr... | -9.11 | 104 | 1346.992 | 2051 | null | null | 2.5899999999999996e+83 | 18.8081964 | 39.12875589 | 22.69830415 | 773.1690324 | null | 18.33609995 | 0.390716755 | 18.33609995 | 0.247752853 | 0.984656709 | 0.247752853 | -8.121473354 | -0.390716755 | 4.117 | 396.3266 | 1458.88 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 15 | 5 | 27 | 0 | 33 | 0 | 2 | 2 | 568 | pd226 | null | -6.413510218 | 6.283360792 | 65.54733945 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 11.33678588 | 131.7476333 | 93.16545329 | 198.2207305 | 63.38545996 | null | -6.17 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cscn2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 213.5910297 | 82.22294263 | 1.431199657 | 65.42250978 | 17.68187306 | 204.0460381 | 61.82450767 | 123.8632684 | 0 | 0.0 | null | null | null | null | ['meA', 'meF', 'L', 'meL', 'T', 'meA', 'Me_Tza', 'F', 'meF', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 0.1353999999999999, 0.8146999999999995, 1.0159999999999998, 1.3581999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 33.2, 29.1, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 255.7107638 | 83.02614581 | 17.68187306 | 273.9621928 | 101.4789859 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2051 | null | 312.0 | null | 1026.221531 | -0.984656709 | 190.65119 | -11.84249205 | -15.12403531 | -83.54623821 | -125.1365477 | -81.48397262 | -117.4214451 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.105488013 | null |
015259be39feca48601b00525fb18a1d836114fa52f42de774625e145d63119a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,051 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meF', 'L', 'meL', 'meF', 'L', 'meF', 'meF', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 82 | 2052 | -6.21 | -6.21 | Circle | 3 | -2.76e-16 | -2.757997001 | -1.61e-16 | -2.882892139 | 9.3e-18 | -1.13577454 | 1.91e-15 | -0.249287767 | 2.746553044 | 9153.05257 | 178.0 | null | -6.21 | 181.4199197 | 169.6737909 | 51.67379092 | 97.48757471 | 85.25613409 | 26.55903142 | 17.94292826 | 17.94292826 | 10.90100358 | 10.90100358 | 6.55543938 | 6.55543938 | null | null | null | null | 570.7251368 | 79.66833035 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 82.30595447 | 1478.894132 | 0.457943925 | 0.831775701 | 1.252336449 | 0.56097561 | 182.0 | PEPTIDE2052{[meF].L.[meL].[meF].L.[meF].[meF].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2052,PEPTIDE2052,1:R1-11:R2$$$ | PEPTIDE2052{<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/m... | -9.52 | 107 | 1360.973 | 2052 | null | null | 1.57e+88 | 18.66601926 | 40.99259888 | 24.76581036 | 798.8736989 | null | 18.5017565 | 0.390716756 | 18.5017565 | 0.247548565 | 2.270075704 | 0.247548565 | -8.389358442 | -0.390716756 | 5.2982 | 409.8406 | 1479.917 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 13 | 5 | 25 | 0 | 35 | 0 | 2 | 2 | 584 | pd227 | null | -7.565344954 | 6.246261187 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 175.6635111 | 97.29200313 | 196.9768918 | 64.18483497 | null | -6.21 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 223.1863396 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 204.4010706 | 68.32136735 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['meF', 'L', 'meL', 'meF', 'L', 'meF', 'meF', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [1.3581999999999996, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.3581999999999996, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 83.02614581 | 23.57583074 | 289.7999511 | 120.8483742 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2052 | null | 299.11 | null | 1096.795985 | 0.0 | 189.1413463 | -9.825851618 | -13.89912718 | -92.37431454 | -134.664155 | -90.62843292 | -125.5454498 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.084645945 | null |
bcaf68aac3560cd18b5ba51a8ea4e2488c1bfcccf9d5acb78ae1c53b7459fcdd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,052 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'L', 'meL', 'meF', 'F', 'meF', 'Me_Tza', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 85 | 2053 | -6.24 | -6.24 | Circle | 6 | -2.79e-16 | -2.758597066 | -1.52e-16 | -2.882595386 | 3.36e-17 | -1.136000382 | 1.6e-15 | -0.249287769 | 2.716997404 | 8952.914616 | 212.0 | null | -6.24 | 178.1020825 | 166.0292528 | 51.84574939 | 95.7218504 | 83.36159597 | 26.98098988 | 17.6987497 | 18.28957217 | 10.74520139 | 11.22318681 | 6.452601905 | 6.828525256 | null | null | null | null | 562.823011 | 78.29757179 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 10.09278671 | 79.56443736 | 1485.845802 | 0.528301887 | 0.981132075 | 1.5 | 0.582278481 | 213.0 | PEPTIDE2053{[meL].L.[meL].[meF].F.[meF].[Me_Tza].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2053,PEPTIDE2053,1:R1-11:R2$$$ | PEPTIDE2053{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Tza/">[Me_Tza]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a hr... | -9.11 | 106 | 1371.014 | 2053 | null | null | 2.2500000000000002e+86 | 18.93854175 | 40.56609126 | 24.20733999 | 791.5187987 | null | 18.4769199 | 0.390716756 | 18.4769199 | 0.247548565 | 0.993040369 | 0.247548565 | -8.358919804 | -0.390716756 | 4.7547 | 405.5126 | 1486.934 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 15 | 5 | 27 | 0 | 35 | 0 | 2 | 2 | 580 | pd228 | null | -7.020870781 | 6.546916395 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 11.33678588 | 145.4514176 | 91.72855164 | 202.3330062 | 71.25307821 | null | -6.24 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2cscn2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 219.0740639 | 82.22294263 | 1.431199657 | 65.42250978 | 23.57583074 | 204.4010706 | 68.32136735 | 123.8632684 | 0 | 0.0 | null | null | null | null | ['meL', 'L', 'meL', 'meF', 'F', 'meF', 'Me_Tza', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [1.1616, 0.8193999999999995, 1.1616, 1.3581999999999996, 1.0159999999999998, 1.3581999999999996, 0.8146999999999995, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 33.2, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 256.189731 | 83.02614581 | 23.57583074 | 285.8181519 | 101.4789859 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2053 | null | 312.0 | null | 1066.701968 | -0.993040369 | 191.4469974 | -12.02435886 | -15.23218549 | -91.81890065 | -119.274606 | -89.90345063 | -125.06909 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.089811858 | null |
c159dd71af65db03ceddf5b949ab7ffe9f17f6a09600a3dfce23ba31c23e9614 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,053 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'meF', 'L', 'meL', 'meA', 'Sar', 'meF', 'F', 'meF', 'T', 'Asp_piperidide'] | 82 | 2054 | -6.39 | -6.39 | Circle | 7 | -2.4e-16 | -2.75756629 | -1.55e-16 | -2.894861894 | 6.36e-17 | -1.135777603 | 2.24e-15 | -0.249287767 | 2.642469456 | 8672.515143 | 213.0 | null | -6.39 | 171.4199197 | 159.6737909 | 49.67379092 | 92.48757471 | 80.25613409 | 25.55903142 | 17.31792826 | 17.31792826 | 10.65100358 | 10.65100358 | 6.318635981 | 6.318635981 | null | null | null | null | 545.2334372 | 54.99467634 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 96.01354003 | 1422.831532 | 0.514563107 | 0.990291262 | 1.475728155 | 0.538461538 | 210.0 | PEPTIDE2054{[meV].[meF].L.[meL].[meA].[Sar].[meF].F.[meF].T.[Asp_piperidide]}$PEPTIDE2054,PEPTIDE2054,1:R1-11:R2$$$ | PEPTIDE2054{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meF/">[meF]</a>.<a hr... | -9.52 | 103 | 1312.929 | 2054 | null | null | 3.58e+82 | 18.39439673 | 38.66428921 | 22.73643975 | 762.1741665 | null | 18.03747456 | 0.390716897 | 18.03747456 | 0.245562072 | 2.159616781 | 0.245562072 | -8.064556205 | -0.390716897 | 3.8819 | 391.4426 | 1423.809 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 13 | 5 | 25 | 0 | 31 | 0 | 2 | 2 | 560 | pd229 | null | -6.187747902 | 5.874186965 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 161.9597269 | 85.50408776 | 186.0108233 | 64.18483497 | null | -6.39 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 212.2202711 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 184.8033287 | 68.32136735 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['meV', 'meF', 'L', 'meL', 'meA', 'Sar', 'meF', 'F', 'meF', 'T', 'Asp_piperidide'] | [0.7715000000000001, 1.3581999999999996, 0.8193999999999995, 1.1616, 0.1353999999999999, -0.2531000000000001, 1.3581999999999996, 1.0159999999999998, 1.3581999999999996, -0.1918000000000002, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 20.31, 38.33, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 83.02614581 | 17.68187306 | 259.2361407 | 120.8483742 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2054 | null | 299.11 | null | 1014.563859 | 0.0 | 186.655497 | -9.09604907 | -13.16425405 | -83.48835896 | -129.436978 | -73.86446833 | -118.1692477 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.113087289 | null |
8124a6ed247a513c6e47f3b1170c52abba97467c4cdd3cb7553b1dec44366525 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,054 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meF', 'F', 'T', 'meF', 'L', 'meF', 'meL', 'Sar', 'meL', 'meA', 'Asp_piperidide'] | 82 | 2055 | -6.6 | -6.6 | Circle | 5 | -1.94e-16 | -2.75716166 | -1.41e-16 | -2.891638024 | 6.58e-17 | -1.13518492 | 2.16e-15 | -0.249287763 | 2.66059371 | 8796.733194 | 190.0 | null | -6.6 | 173.9199197 | 162.1737909 | 50.17379092 | 93.73757471 | 81.50613409 | 25.80903142 | 17.44292826 | 17.44292826 | 10.65760188 | 10.65760188 | 6.327669613 | 6.327669613 | null | null | null | null | 551.6063621 | 65.96074478 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 87.7889887 | 1436.847182 | 0.490384615 | 0.942307692 | 1.432692308 | 0.544303797 | 195.0 | PEPTIDE2055{[meF].F.T.[meF].L.[meF].[meL].[Sar].[meL].[meA].[Asp_piperidide]}$PEPTIDE2055,PEPTIDE2055,1:R1-11:R2$$$ | PEPTIDE2055{<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/m... | -9.52 | 104 | 1324.94 | 2055 | null | null | 2.07e+83 | 18.4602972 | 39.38279483 | 23.24179083 | 771.3490496 | null | 18.19528215 | 0.390716755 | 18.19528215 | 0.247773756 | 2.196983619 | 0.247773756 | -8.073439638 | -0.390716755 | 4.272 | 396.0596 | 1437.836 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 13 | 5 | 25 | 0 | 32 | 0 | 2 | 2 | 566 | pd230 | null | -6.511121181 | 6.009990059 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 161.9597269 | 91.87701267 | 188.7523404 | 64.18483497 | null | -6.6 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 214.9617882 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 191.1762536 | 68.32136735 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['meF', 'F', 'T', 'meF', 'L', 'meF', 'meL', 'Sar', 'meL', 'meA', 'Asp_piperidide'] | [1.3581999999999996, 1.0159999999999998, -0.1918000000000002, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.2531000000000001, 1.1616, 0.1353999999999999, 0.1758999999999995] | [20.31, 29.1, 38.33, 20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 83.02614581 | 17.68187306 | 268.3505827 | 120.8483742 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2055 | null | 299.11 | null | 1034.009248 | 0.0 | 186.7986134 | -8.955639551 | -13.39342068 | -83.2742236 | -130.5191769 | -81.26605652 | -118.1493439 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.104877559 | null |
60fdb92cb510566d4bb0e11ef528ea5ad66466954b2e5951a0c6aea32658e15c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,055 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'meF', 'L', 'meL', 'F', 'Sar', 'meF', 'T', 'meF', 'L', 'Asp_piperidide'] | 80 | 2056 | -6.68 | -6.68 | Circle | 6 | -2.08e-16 | -2.75757466 | -1.42e-16 | -2.889838455 | 5.96e-17 | -1.135757613 | 2.34e-15 | -0.249287767 | 2.623220067 | 8678.024918 | 228.0 | null | -6.68 | 171.4199197 | 159.6737909 | 49.67379092 | 92.52624984 | 80.22974089 | 25.58542462 | 17.21932146 | 17.21932146 | 10.44425323 | 10.44425323 | 6.19894614 | 6.19894614 | null | null | null | null | 545.0404388 | 59.14803553 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 91.90126436 | 1422.831532 | 0.495145631 | 0.941747573 | 1.427184466 | 0.538461538 | 227.0 | PEPTIDE2056{[meA].[meF].L.[meL].F.[Sar].[meF].T.[meF].L.[Asp_piperidide]}$PEPTIDE2056,PEPTIDE2056,1:R1-11:R2$$$ | PEPTIDE2056{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/m... | -9.52 | 103 | 1312.929 | 2056 | null | null | 2.99e+82 | 18.39439673 | 39.21670812 | 23.76697396 | 762.0222516 | null | 17.89522282 | 0.390716755 | 17.89522282 | 0.247773757 | 2.173348783 | 0.247773757 | -7.967951137 | -0.390716755 | 3.9298 | 391.4323 | 1423.809 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 13 | 6 | 25 | 0 | 31 | 0 | 2 | 2 | 560 | pd231 | null | -6.333591342 | 5.841946766 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 161.9597269 | 91.87701267 | 177.6642379 | 64.18483497 | null | -6.68 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC1=O | 212.2613546 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 191.1762536 | 61.34554045 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['meA', 'meF', 'L', 'meL', 'F', 'Sar', 'meF', 'T', 'meF', 'L', 'Asp_piperidide'] | [0.1353999999999999, 1.3581999999999996, 0.8193999999999995, 1.1616, 1.0159999999999998, -0.2531000000000001, 1.3581999999999996, -0.1918000000000002, 1.3581999999999996, 0.8193999999999995, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 29.1, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 239.3300159 | 83.02614581 | 17.68187306 | 264.2383071 | 120.8483742 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2056 | null | 307.9 | null | 1012.402563 | 0.0 | 189.2924873 | -12.4246481 | -13.17230692 | -82.37685541 | -129.0007526 | -80.79762865 | -109.9228587 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09281241 | null |
79b401796b73fdf68195f507ae7fcf2e45a139f311c6331b54d3fa576087183f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,056 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'meL', 'meF', 'A', 'meL', 'meF', 'meF', 'T', 'meA', 'meF', 'Asp_piperidide'] | 84 | 2057 | -6.72 | -6.72 | Circle | 1 | -2.2e-16 | -2.757196826 | -1.36e-16 | -2.882826269 | 6.28e-17 | -1.135232119 | 3.44e-15 | -0.249287763 | 2.652229351 | 8683.005368 | 207.0 | null | -6.72 | 171.4199197 | 159.6737909 | 49.67379092 | 92.44889957 | 80.28252729 | 25.53263821 | 17.40333846 | 17.40333846 | 10.84628496 | 10.84628496 | 6.363248491 | 6.363248491 | null | null | null | null | 545.4264356 | 59.06586848 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 91.90126436 | 1422.831532 | 0.475728155 | 0.854368932 | 1.262135922 | 0.538461538 | 204.0 | PEPTIDE2057{[meA].[meL].[meF].A.[meL].[meF].[meF].T.[meA].[meF].[Asp_piperidide]}$PEPTIDE2057,PEPTIDE2057,1:R1-11:R2$$$ | PEPTIDE2057{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<a hr... | -9.52 | 103 | 1312.929 | 2057 | null | null | 4.21e+81 | 18.39439673 | 38.12346094 | 21.77150662 | 762.3260813 | null | 18.26562248 | 0.390716755 | 18.26562248 | 0.247752854 | 2.225548677 | 0.247752854 | -8.04293966 | -0.390716755 | 3.9765 | 391.5009 | 1423.809 | Circle | 11 | 11 | null | 4 | 25 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 13 | 4 | 25 | 0 | 31 | 0 | 2 | 2 | 560 | pd232 | null | -6.078129285 | 5.947743503 | 65.13743583 | 66.19681715 | 4.235526235 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 148.2559426 | 93.31391431 | 195.7281673 | 56.31721673 | null | -6.72 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C | 212.1791876 | 70.88615675 | 1.431199657 | 60.02862764 | 11.78791537 | 190.8212211 | 68.80033457 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['meA', 'meL', 'meF', 'A', 'meL', 'meF', 'meF', 'T', 'meA', 'meF', 'Asp_piperidide'] | [0.1353999999999999, 1.1616, 1.3581999999999996, -0.2068000000000003, 1.1616, 1.3581999999999996, 1.3581999999999996, -0.1918000000000002, 0.1353999999999999, 1.3581999999999996, 0.1758999999999995] | [20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 15.92944006 | 0.0 | 0.0 | 0.0 | 262.6025219 | 83.02614581 | 11.78791537 | 260.6068993 | 120.8483742 | 4.235526235 | 0.0 | 0 | 2018_CHUGAI | 2057 | null | 290.32 | null | 1016.053145 | 0.0 | 183.9693577 | -5.833695481 | -13.45314497 | -76.35706549 | -137.9653652 | -73.9682372 | -118.4449946 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 3 | 0 | 0 | 8 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.139208542 | null |
6cf0d30434f1ee5494d06212958f26719e72cacab4af5faefbcd9e9f88f3b975 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,057 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'meF', 'meL', 'V', 'meL', 'meF', 'meF', 'T', 'meA', 'meF', 'Asp_piperidide'] | 84 | 2058 | -6.77 | -6.77 | Circle | 8 | -2.56e-16 | -2.757129481 | -1.62e-16 | -2.885132022 | 1.94e-17 | -1.135168623 | 2.31e-15 | -0.249287763 | 2.713352501 | 8914.128945 | 198.0 | null | -6.77 | 176.4199197 | 164.6737909 | 50.67379092 | 94.94889957 | 82.78252729 | 26.03263821 | 17.77833846 | 17.77833846 | 11.08308836 | 11.08308836 | 6.526082926 | 6.526082926 | null | null | null | null | 558.1722854 | 71.40269549 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 85.04747158 | 1450.862832 | 0.466666667 | 0.838095238 | 1.276190476 | 0.55 | 194.0 | PEPTIDE2058{[meA].[meF].[meL].V.[meL].[meF].[meF].T.[meA].[meF].[Asp_piperidide]}$PEPTIDE2058,PEPTIDE2058,1:R1-11:R2$$$ | PEPTIDE2058{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<a hr... | -9.52 | 105 | 1336.951 | 2058 | null | null | 3.36e+85 | 18.5275749 | 39.00952905 | 22.27084842 | 780.6758475 | null | 18.41193842 | 0.390716755 | 18.41193842 | 0.247752854 | 2.240077369 | 0.247752854 | -8.32091617 | -0.390716755 | 4.6126 | 400.6649 | 1451.863 | Circle | 11 | 11 | null | 4 | 25 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 13 | 4 | 25 | 0 | 33 | 0 | 2 | 2 | 572 | pd233 | null | -6.767234393 | 6.071781682 | 65.13743583 | 66.19681715 | 4.235526235 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 161.9597269 | 92.35597988 | 201.2112016 | 56.31721673 | null | -6.77 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C | 217.6622218 | 70.88615675 | 1.431199657 | 60.02862764 | 17.68187306 | 197.6731132 | 68.80033457 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['meA', 'meF', 'meL', 'V', 'meL', 'meF', 'meF', 'T', 'meA', 'meF', 'Asp_piperidide'] | [0.1353999999999999, 1.3581999999999996, 1.1616, 0.4292999999999995, 1.1616, 1.3581999999999996, 1.3581999999999996, -0.1918000000000002, 0.1353999999999999, 1.3581999999999996, 0.1758999999999995] | [20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 15.92944006 | 0.0 | 0.0 | 0.0 | 262.6025219 | 83.02614581 | 17.68187306 | 272.9418256 | 120.8483742 | 4.235526235 | 0.0 | 0 | 2018_CHUGAI | 2058 | null | 290.32 | null | 1058.274068 | 0.0 | 185.5926937 | -6.245715259 | -13.70939061 | -85.39085256 | -140.642436 | -74.86548417 | -126.5128833 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 3 | 0 | 0 | 8 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.126654029 | null |
a21db4799321041b071c3ede7a93f52d4f1468daabc65558d70f54f64b04af49 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,058 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meL', 'L', 'meF', 'Ser(tBu)', 'meF', 'T', 'meA', 'meF', 'meF', 'Asp_piperidide'] | 88 | 2059 | -6.82 | -6.82 | Circle | 8 | -2.03e-16 | -2.756805658 | -1.29e-16 | -2.891563113 | 1.03e-16 | -1.135678224 | 2.14e-15 | -0.249287767 | 2.675568507 | 8922.488735 | 210.0 | null | -6.82 | 177.1270265 | 165.0820392 | 51.08203921 | 95.48335662 | 82.88798918 | 26.24367291 | 17.84143522 | 17.84143522 | 10.7203864 | 10.7203864 | 6.350113121 | 6.350113121 | null | null | null | null | 558.1584093 | 64.63106975 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 91.90126436 | 1466.857746 | 0.528301887 | 0.971698113 | 1.443396226 | 0.55 | 206.0 | PEPTIDE2059{[dA].[meL].L.[meF].[Ser(tBu)].[meF].T.[meA].[meF].[meF].[Asp_piperidide]}$PEPTIDE2059,PEPTIDE2059,1:R1-11:R2$$$ | PEPTIDE2059{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</... | -9.56 | 106 | 1352.95 | 2059 | null | null | 3.15e+86 | 18.92628529 | 39.69382467 | 24.2388165 | 785.4855631 | null | 18.15644145 | 0.390716755 | 18.15644145 | 0.247752854 | 2.246025747 | 0.247752854 | -8.068388886 | -0.390716755 | 4.0873 | 402.2773 | 1467.862 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 14 | 6 | 26 | 0 | 30 | 0 | 2 | 2 | 578 | pd234 | null | -7.076183177 | 6.060976772 | 70.69410603 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 148.2559426 | 107.0176985 | 181.7765135 | 71.21876989 | null | -6.82 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O | 222.4812518 | 70.88615675 | 1.431199657 | 60.84843488 | 11.78791537 | 210.1260562 | 61.40766601 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['dA', 'meL', 'L', 'meF', 'Ser(tBu)', 'meF', 'T', 'meA', 'meF', 'meF', 'Asp_piperidide'] | [-0.2068000000000003, 1.1616, 0.8193999999999995, 1.3581999999999996, 0.5883999999999996, 1.3581999999999996, -0.1918000000000002, 0.1353999999999999, 1.3581999999999996, 1.3581999999999996, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.0110847 | 87.76300877 | 11.78791537 | 277.0522006 | 120.8483742 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2059 | null | 317.13 | null | 1056.336018 | 0.0 | 190.7546562 | -12.7332464 | -20.17417651 | -76.81578569 | -139.2577386 | -74.18252498 | -123.9272016 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.092129203 | null |
84057fe5b87453db1ab89e6b286cda1c0b28a392ec21ccbbfba5892dceac33a9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,059 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'F', 'meL', 'Tza', 'meF', 'G', 'meL', 'meL', 'L', 'D', 'meF', 'A', '-pip'] | 80 | 2060 | -7.0 | -7 | Lariat | 3 | -1.93e-16 | -2.75668404 | -8.54e-17 | -2.884133926 | 3.53e-17 | -1.136171425 | 2.41e-15 | -0.249287769 | 2.608879793 | 9003.250146 | 283.0 | null | -7.0 | 178.0496762 | 165.4764664 | 52.29296298 | 95.80392463 | 83.04498847 | 27.23098988 | 17.68797472 | 18.27879719 | 10.57525444 | 11.05323987 | 6.302529581 | 6.678452932 | null | null | null | null | 567.6979241 | 70.19627102 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 86.35778904 | 1498.841051 | 0.607476636 | 1.130841121 | 1.672897196 | 0.569620253 | 274.0 | PEPTIDE2060{A.F.[meL].[Tza].[meF].G.[meL].[meL].L.D.[meF].A.[-pip]}$PEPTIDE2060,PEPTIDE2060,1:R1-10:R3$$$ | PEPTIDE2060{<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Tza/">[Tza]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomer... | -9.6 | 107 | 1385.021 | 2060 | null | null | 1.82e+85 | 19.32851603 | 41.49970125 | 25.82089874 | 794.6985354 | null | 18.12465169 | 0.345227428 | 18.12465169 | 0.245620312 | 0.953370584 | 0.245620312 | -8.335738502 | -0.345227428 | 4.2141 | 407.8559 | 1499.933 | Lariat | 13 | 10 | null | 7 | 27 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 15 | 7 | 28 | 0 | 36 | 0 | 2 | 2 | 584 | pd235 | null | -6.669114246 | 5.591741061 | 66.56815186 | 66.19681715 | 9.882894548 | 76.79333648 | 0.0 | 0.0 | 62.32898339 | 4.983978521 | 0.0 | 11.33678588 | 145.4514176 | 98.58044376 | 184.2690767 | 65.17306018 | null | -7.0 | null | null | null | null | null | null | null | null | null | null | 6 | 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)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N2CCCCC2)NC1=O | 218.8830435 | 88.13012236 | 0.0 | 71.55213038 | 23.57583074 | 211.1908371 | 54.36971355 | 123.8632684 | 0 | 0.0 | null | null | null | null | ['A', 'F', 'meL', 'Tza', 'meF', 'G', 'meL', 'meL', 'L', 'D', 'meF', 'A', '-pip'] | [-0.2068000000000003, 1.0159999999999998, 1.1616, 0.4724999999999997, 1.3581999999999996, -0.5953000000000002, 1.1616, 1.1616, 0.8193999999999995, -0.6377000000000004, 1.3581999999999996, -0.2068000000000003, 1.1021] | [29.1, 29.1, 20.31, 41.99, 20.31, 29.1, 20.31, 20.31, 29.1, 46.17, 20.31, 29.1, 3.24] | 37.16869347 | 0.0 | 0.0 | 11.33678588 | 231.7433041 | 87.820683 | 23.57583074 | 288.5577684 | 101.4789859 | 9.882894548 | 0.0 | 0 | 2018_CHUGAI | 2060 | null | 338.45 | null | 1046.649453 | -0.953370584 | 211.5579127 | -24.78256502 | -14.69680213 | -94.59434368 | -122.9463299 | -80.15486072 | -115.329094 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.061480233 | null |
2365750e528c00bac7ee698d0ccc53040f0c781ce1beb976be00c3c84f138bd7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,060 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'F', 'F', 'meF', 'Me_Tza', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 83 | 2061 | -7.02 | -7.02 | Circle | 4 | -1.89e-16 | -2.757955766 | -7.95e-17 | -2.884932198 | 1.32e-16 | -1.135762359 | 2.59e-15 | -0.249287767 | 2.598863395 | 8479.28105 | 236.0 | null | -7.02 | 168.1020825 | 156.0292528 | 49.84574939 | 90.76052553 | 78.33520277 | 26.00738309 | 16.9751429 | 17.56596537 | 10.28845104 | 10.76643647 | 6.096108666 | 6.472032017 | null | null | null | null | 537.138313 | 61.88955264 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 10.09278671 | 85.04747158 | 1429.783201 | 0.568627451 | 1.088235294 | 1.637254902 | 0.56 | 237.0 | PEPTIDE2061{[meA].L.[meL].F.F.[meF].[Me_Tza].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2061,PEPTIDE2061,1:R1-11:R2$$$ | PEPTIDE2061{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Tza/">[Me_Tza]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/m... | -9.11 | 102 | 1322.97 | 2061 | null | null | 5.01e+80 | 18.68374542 | 38.79065545 | 23.20789731 | 754.6673514 | null | 18.13838008 | 0.390716756 | 18.13838008 | 0.247548565 | 0.948033459 | 0.247548565 | -7.966140687 | -0.390716756 | 3.3863 | 387.1043 | 1430.826 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 15 | 6 | 27 | 0 | 31 | 0 | 2 | 2 | 556 | pd236 | null | -5.875502785 | 6.216833086 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 11.33678588 | 131.7476333 | 86.31356117 | 183.0203523 | 71.25307821 | null | -7.02 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2cscn2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C1=O | 208.149079 | 82.22294263 | 1.431199657 | 65.8324134 | 17.68187306 | 191.1762536 | 61.34554045 | 123.8632684 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'F', 'F', 'meF', 'Me_Tza', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.0159999999999998, 1.0159999999999998, 1.3581999999999996, 0.8146999999999995, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 33.2, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.33678588 | 244.3139944 | 83.02614581 | 17.68187306 | 260.2565079 | 101.4789859 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2061 | null | 320.79 | null | 983.1598032 | -0.948033459 | 191.3860932 | -14.44797907 | -14.73424439 | -81.60693303 | -114.8496946 | -79.91271165 | -109.2129668 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.093752566 | null |
cd5f846e0f18de861b884e741ed03025bdfa8bec592a1b984c3c75a25d1131ac | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,061 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'meF', 'meA', 'meF', 'meL', 'F', 'meL', 'Ser(tBu)', 'T', 'meF', 'Asp_piperidide'] | 87 | 2062 | -7.05 | -7.05 | Circle | 6 | -2.69e-16 | -2.756753011 | -1.82e-16 | -2.90137716 | 1.04e-16 | -1.135157937 | 2.16e-15 | -0.249287763 | 2.679875004 | 8922.488735 | 207.0 | null | -7.05 | 177.1270265 | 165.0820392 | 51.08203921 | 95.48335662 | 82.88798918 | 26.24367291 | 17.84143522 | 17.84143522 | 10.7203864 | 10.7203864 | 6.350113121 | 6.350113121 | null | null | null | null | 558.1584093 | 68.74334542 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 87.7889887 | 1466.857746 | 0.528301887 | 0.981132075 | 1.452830189 | 0.55 | 193.0 | PEPTIDE2062{A.[meF].[meA].[meF].[meL].F.[meL].[Ser(tBu)].T.[meF].[Asp_piperidide]}$PEPTIDE2062,PEPTIDE2062,1:R1-11:R2$$$ | PEPTIDE2062{<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/T/">T</a>.<... | -9.56 | 106 | 1352.95 | 2062 | null | null | 2.34e+84 | 18.92628529 | 39.69382467 | 24.2388165 | 785.4855631 | null | 18.23457402 | 0.390716755 | 18.23457402 | 0.247773765 | 2.207649055 | 0.247773765 | -8.173676429 | -0.390716755 | 4.0873 | 402.2773 | 1467.862 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 14 | 6 | 26 | 0 | 30 | 0 | 2 | 2 | 578 | pd237 | null | -7.19697162 | 6.052869019 | 70.69410603 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 148.2559426 | 107.0176985 | 181.7765135 | 71.21876989 | null | -7.05 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C | 222.4812518 | 70.88615675 | 1.431199657 | 60.84843488 | 11.78791537 | 210.1260562 | 61.40766601 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['A', 'meF', 'meA', 'meF', 'meL', 'F', 'meL', 'Ser(tBu)', 'T', 'meF', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 0.1353999999999999, 1.3581999999999996, 1.1616, 1.0159999999999998, 1.1616, 0.5883999999999996, -0.1918000000000002, 1.3581999999999996, 0.1758999999999995] | [29.1, 20.31, 20.31, 20.31, 20.31, 29.1, 20.31, 38.33, 38.33, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.0110847 | 87.76300877 | 11.78791537 | 277.0522006 | 120.8483742 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2062 | null | 317.13 | null | 1056.584717 | 0.0 | 190.710757 | -12.76323188 | -20.12775079 | -76.93519336 | -139.128757 | -74.25649748 | -124.0840433 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.092129203 | null |
4a1445a09c7636132e81da089057348425689b8222eb77ca01fd10dfc81d7ca7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,062 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'meF', 'L', 'T', 'meL', 'meA', 'Me_Tza', 'F', 'meF', 'meL', 'Asp_piperidide'] | 85 | 2063 | -7.06 | -7.06 | Circle | 8 | -2.45e-16 | -2.758086023 | -1.35e-16 | -2.890155397 | 1.5e-16 | -1.135215798 | 2.6e-15 | -0.249287763 | 2.666734526 | 8720.190165 | 205.0 | null | -7.06 | 173.1020825 | 161.0292528 | 50.84574939 | 93.2218504 | 80.86159597 | 26.48098988 | 17.43555309 | 18.02637557 | 10.72053582 | 11.19852125 | 6.331506461 | 6.707429812 | null | null | null | null | 550.0771612 | 63.21922767 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 10.09278671 | 89.15974725 | 1457.814502 | 0.538461538 | 1.009615385 | 1.528846154 | 0.571428571 | 206.0 | PEPTIDE2063{[meA].[meF].L.T.[meL].[meA].[Me_Tza].F.[meF].[meL].[Asp_piperidide]}$PEPTIDE2063,PEPTIDE2063,1:R1-11:R2$$$ | PEPTIDE2063{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_Tza/">[Me_Tza]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meF/">[meF]</a>.<a hr... | -9.11 | 104 | 1346.992 | 2063 | null | null | 7.62e+82 | 18.8081964 | 39.12875589 | 22.69830415 | 773.1690324 | null | 18.35612475 | 0.390716755 | 18.35612475 | 0.247762917 | 1.004019159 | 0.247762917 | -8.121981933 | -0.390716755 | 4.117 | 396.3266 | 1458.88 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 15 | 5 | 27 | 0 | 33 | 0 | 2 | 2 | 568 | pd238 | null | -6.43350332 | 6.224031869 | 65.54733945 | 66.19681715 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 4.983978521 | 0.0 | 11.33678588 | 131.7476333 | 93.16545329 | 198.2207305 | 63.38545996 | null | -7.06 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cscn2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)O)NC1=O | 213.5910297 | 82.22294263 | 1.431199657 | 65.42250978 | 17.68187306 | 204.0460381 | 61.82450767 | 123.8632684 | 0 | 0.0 | null | null | null | null | ['meA', 'meF', 'L', 'T', 'meL', 'meA', 'Me_Tza', 'F', 'meF', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 1.3581999999999996, 0.8193999999999995, -0.1918000000000002, 1.1616, 0.1353999999999999, 0.8146999999999995, 1.0159999999999998, 1.3581999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 38.33, 20.31, 20.31, 33.2, 29.1, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.33678588 | 255.7107638 | 83.02614581 | 17.68187306 | 273.9621928 | 101.4789859 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2063 | null | 312.0 | null | 1026.105082 | -1.004019159 | 190.5757538 | -11.81746302 | -15.16700424 | -83.42284756 | -125.1223777 | -81.38880278 | -117.4249881 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.105488013 | null |
29d81aae985f1b51a72df45de680e84ea9aea17222fd163f37424c55968157d7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,063 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_Bal', 'meF', 'meL', 'meA', 'meF', 'I', 'meL', 'meL', 'T', 'D', 'meF', 'meF', 'A', '-pip'] | 94 | 2064 | -7.19 | -7.19 | Lariat | 7 | -2.99e-16 | -2.756707473 | -1.81e-16 | -2.894651665 | 1.09e-17 | -1.136053039 | 1.48e-15 | -0.249287767 | 2.75366772 | 10429.09545 | 240.0 | null | -7.19 | 205.2293208 | 191.8847147 | 57.88471469 | 109.7909927 | 96.25602317 | 29.55892049 | 20.04626738 | 20.04626738 | 12.34514331 | 12.34514331 | 7.225769206 | 7.225769206 | null | null | null | null | 638.4034636 | 98.85895013 | 67.12352058 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 85.04747158 | 1663.01531 | 0.541666667 | 1.041666667 | 1.55 | 0.582417582 | 237.0 | PEPTIDE2064{[Me_Bal].[meF].[meL].[meA].[meF].I.[meL].[meL].T.D.[meF].[meF].A.[-pip]}$PEPTIDE2064,PEPTIDE2064,1:R1-10:R3$$$ | PEPTIDE2064{<a href="/monomers/Me_Bal/">[Me_Bal]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>... | -10.58 | 120 | 1529.084 | 2064 | null | null | 7.35e+102 | 20.84214445 | 46.2775556 | 26.9613012 | 898.4804175 | null | 18.76872271 | 0.390716897 | 18.76872271 | 0.245642976 | 2.104592321 | 0.245642976 | -8.695706375 | -0.390716897 | 5.3821 | 458.9216 | 1664.156 | Lariat | 14 | 10 | null | 5 | 29 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 15 | 5 | 29 | 0 | 45 | 0 | 2 | 2 | 658 | pd239 | null | -9.694542023 | 6.48190428 | 75.34715891 | 72.21470962 | 5.647368313 | 84.13171587 | 0.0 | 0.0 | 67.12352058 | 0.0 | 0.0 | 0.0 | 182.036436 | 104.6228625 | 245.7304671 | 57.68797528 | null | -7.19 | null | null | null | null | null | null | null | null | null | null | 6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CCN(C)C(=O)C[C@@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N2CCCCC2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 254.7075508 | 82.70051621 | 1.431199657 | 70.23835072 | 23.57583074 | 236.5135647 | 82.27302116 | 143.1021801 | 0 | 0.0 | [['PAMPA']] | [510] | [['-6.51']] | ['2013_CHUGAI'] | ['Me_Bal', 'meF', 'meL', 'meA', 'meF', 'I', 'meL', 'meL', 'T', 'D', 'meF', 'meF', 'A', '-pip'] | [0.1369999999999998, 1.3581999999999996, 1.1616, 0.1353999999999999, 1.3581999999999996, 0.8193999999999999, 1.1616, 1.1616, -0.1918000000000002, -0.6377000000000004, 1.3581999999999996, 1.3581999999999996, -0.2068000000000003, 1.1021] | [20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 46.17, 20.31, 20.31, 29.1, 3.24] | 21.23925341 | 0.0 | 0.0 | 0.0 | 298.8073702 | 92.61522018 | 23.57583074 | 331.8087971 | 120.8483742 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 510 | null | 339.73 | null | 1245.691567 | 0.0 | 218.37404 | -10.21710457 | -13.9419307 | -105.885842 | -151.973552 | -97.88209558 | -155.081749 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 14 | 0 | 0 | 0 | 10 | 4 | 0 | 0 | 8 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.058778926 | null |
39c184061503a8f5c4da7dc387166f0d8189eb4e77cbb62f575b6fbc8a8d2f82 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,065 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'A', 'T', 'meA', 'F', 'meL', 'meF', 'meL', 'D', 'meF', 'F', '-pip'] | 74 | 2066 | -7.24 | -7.24 | Lariat | 2 | -2.41e-16 | -2.75732729 | -1e-16 | -2.892613934 | 5.26e-17 | -1.135162356 | 3.04e-15 | -0.249287763 | 2.626288465 | 8558.006296 | 245.0 | null | -7.24 | 168.9199197 | 157.1737909 | 49.17379092 | 91.31492498 | 78.95334768 | 25.36181782 | 17.10751806 | 17.10751806 | 10.44304242 | 10.44304242 | 6.192863358 | 6.192863358 | null | null | null | null | 538.4745156 | 67.41367039 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 80.93519592 | 1408.815882 | 0.607843137 | 1.166666667 | 1.715686275 | 0.532467532 | 258.0 | PEPTIDE2066{[dV].A.T.[meA].F.[meL].[meF].[meL].D.[meF].F.[-pip]}$PEPTIDE2066,PEPTIDE2066,1:R1-9:R3$$$ | PEPTIDE2066{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/D/">D</a>.<a href="/monomers/... | -9.52 | 102 | 1300.918 | 2066 | null | null | 6.73e+80 | 18.32993896 | 38.49527818 | 22.74183102 | 752.6954536 | null | 18.52857784 | 0.390716755 | 18.52857784 | 0.24775273 | 2.013749133 | 0.24775273 | -8.459026052 | -0.390716755 | 3.586 | 386.783 | 1409.782 | Lariat | 12 | 9 | null | 7 | 25 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 13 | 7 | 25 | 0 | 34 | 0 | 2 | 2 | 554 | pd241 | null | -6.465091561 | 5.578452882 | 66.3671467 | 66.19681715 | 8.47105247 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 161.9597269 | 92.35597988 | 167.9468939 | 56.31721673 | null | -7.24 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C | 209.560921 | 70.88615675 | 1.431199657 | 61.2583385 | 17.68187306 | 197.6731132 | 47.87285387 | 143.1021801 | 0 | 0.0 | [['PAMPA']] | [572] | [['-6.03']] | ['2013_CHUGAI'] | ['dV', 'A', 'T', 'meA', 'F', 'meL', 'meF', 'meL', 'D', 'meF', 'F', '-pip'] | [0.4292999999999995, -0.2068000000000003, -0.1918000000000002, 0.1353999999999999, 1.0159999999999998, 1.1616, 1.3581999999999996, 1.1616, -0.6377000000000004, 1.3581999999999996, 1.0159999999999998, 1.1021] | [29.1, 29.1, 38.33, 20.31, 29.1, 20.31, 20.31, 20.31, 46.17, 20.31, 29.1, 3.24] | 31.85888012 | 0.0 | 0.0 | 0.0 | 226.975312 | 83.02614581 | 17.68187306 | 260.6049986 | 120.8483742 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 572 | null | 316.69 | null | 994.339573 | 0.0 | 191.841774 | -15.20171904 | -13.11086075 | -83.09321401 | -135.9775225 | -72.95141558 | -103.0966151 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.070720647 | null |
7446b004f80bc321de8a66352f4ad50a03e7957c007bb351832a33935694a023 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,066 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'T', 'meF', 'I', 'meA', 'meL', 'meF', 'meL', 'meL', 'D', 'meF', 'meF', 'A', '-pip'] | 90 | 2067 | -7.24 | -7.24 | Lariat | 5 | -2.71e-16 | -2.756709259 | -2.13e-16 | -2.888792108 | 4.22e-17 | -1.136006135 | 1.72e-15 | -0.249287767 | 2.784405998 | 10306.38404 | 243.0 | null | -7.24 | 202.7293208 | 189.3847147 | 57.38471469 | 108.5796679 | 94.97962996 | 29.3353137 | 19.93446398 | 19.93446398 | 12.28333991 | 12.28333991 | 7.24268928 | 7.24268928 | null | null | null | null | 631.8375403 | 90.67548232 | 67.12352058 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 90.53050581 | 1648.99966 | 0.537815126 | 1.016806723 | 1.512605042 | 0.577777778 | 229.0 | PEPTIDE2067{[dA].T.[meF].I.[meA].[meL].[meF].[meL].[meL].D.[meF].[meF].A.[-pip]}$PEPTIDE2067,PEPTIDE2067,1:R1-10:R3$$$ | PEPTIDE2067{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href... | -10.58 | 119 | 1517.073 | 2067 | null | null | 5.28e+100 | 20.77111429 | 45.55344695 | 26.70785654 | 889.1536195 | null | 18.90318299 | 0.390716755 | 18.90318299 | 0.247773754 | 2.112756144 | 0.247773754 | -8.82079965 | -0.390716755 | 5.0383 | 454.2723 | 1650.129 | Lariat | 14 | 10 | null | 6 | 29 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 15 | 6 | 29 | 0 | 45 | 0 | 2 | 2 | 652 | pd242 | null | -9.870442833 | 6.339942009 | 75.75706254 | 78.23260209 | 7.059210392 | 84.13171587 | 0.0 | 0.0 | 67.12352058 | 0.0 | 0.0 | 0.0 | 182.036436 | 111.4747546 | 220.4018213 | 59.05873384 | null | -7.24 | null | null | null | null | null | null | null | null | null | null | 6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C1=O | 252.0071172 | 82.70051621 | 1.431199657 | 70.64825434 | 23.57583074 | 243.0104243 | 68.80033457 | 143.1021801 | 0 | 0.0 | [['PAMPA']] | [300] | [['-6.85']] | ['2013_CHUGAI'] | ['dA', 'T', 'meF', 'I', 'meA', 'meL', 'meF', 'meL', 'meL', 'D', 'meF', 'meF', 'A', '-pip'] | [-0.2068000000000003, -0.1918000000000002, 1.3581999999999996, 0.8193999999999999, 0.1353999999999999, 1.1616, 1.3581999999999996, 1.1616, 1.1616, -0.6377000000000004, 1.3581999999999996, 1.3581999999999996, -0.2068000000000003, 1.1021] | [29.1, 38.33, 20.31, 29.1, 20.31, 20.31, 20.31, 20.31, 20.31, 46.17, 20.31, 20.31, 29.1, 3.24] | 26.54906677 | 0.0 | 0.0 | 0.0 | 286.4526663 | 92.61522018 | 23.57583074 | 328.1754887 | 120.8483742 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 300 | null | 348.52 | null | 1228.933605 | 0.0 | 221.6956465 | -13.20906572 | -14.15271035 | -106.2645722 | -160.6565207 | -90.45525787 | -148.057791 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 14 | 0 | 0 | 0 | 9 | 5 | 0 | 0 | 8 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 14 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.053530611 | null |
19fef723df418e501e86668946a3082c69ab9344773b96b982d326bc35f13322 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,067 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meL', 'meF', 'meF', 'Ser(tBu)', 'meF', 'L', 'meL', 'T', 'meF', 'Asp_piperidide'] | 88 | 2068 | -7.24 | -7.24 | Circle | 7 | -3.14e-16 | -2.757192367 | -2.03e-16 | -2.894089047 | -6.97e-17 | -1.135780805 | 1.21e-15 | -0.249287767 | 2.838924881 | 9638.297644 | 234.0 | null | -7.24 | 192.1270265 | 180.0820392 | 54.08203921 | 102.9833566 | 90.38798918 | 27.74367291 | 18.84143522 | 18.84143522 | 11.20718979 | 11.20718979 | 6.777701805 | 6.777701805 | null | null | null | null | 596.3959587 | 94.78775799 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 78.1936788 | 1550.951647 | 0.473214286 | 0.839285714 | 1.285714286 | 0.581395349 | 230.0 | PEPTIDE2068{[dL].[meL].[meF].[meF].[Ser(tBu)].[meF].L.[meL].T.[meF].[Asp_piperidide]}$PEPTIDE2068,PEPTIDE2068,1:R1-11:R2$$$ | PEPTIDE2068{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</... | -9.56 | 112 | 1425.016 | 2068 | null | null | 1.3300000000000001e+95 | 19.34360885 | 42.90452149 | 26.8187319 | 840.5348618 | null | 18.74669925 | 0.390716755 | 18.74669925 | 0.247773756 | 2.361732246 | 0.247773756 | -8.451697061 | -0.390716755 | 6.1397 | 429.8393 | 1552.024 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 14 | 6 | 26 | 0 | 36 | 0 | 2 | 2 | 614 | pd243 | null | -9.111512678 | 6.471839879 | 70.69410603 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 175.6635111 | 117.8476795 | 198.2256162 | 71.21876989 | null | -7.24 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 238.9303545 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 236.5756902 | 61.40766601 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['dL', 'meL', 'meF', 'meF', 'Ser(tBu)', 'meF', 'L', 'meL', 'T', 'meF', 'Asp_piperidide'] | [0.8193999999999995, 1.1616, 1.3581999999999996, 1.3581999999999996, 0.5883999999999996, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, 1.3581999999999996, 0.1758999999999995] | [29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 38.33, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.0110847 | 87.76300877 | 23.57583074 | 319.9509373 | 120.8483742 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2068 | null | 317.13 | null | 1180.883596 | 0.0 | 194.8699971 | -13.81828923 | -21.0723406 | -94.77022444 | -146.4644839 | -92.29934387 | -139.8289112 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.057932934 | null |
2881fd54384cfeb22a014601918874920d738ee654ac69e77372cab8751dd591 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,068 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'F', 'meL', 'meF', 'L', 'T', 'meL', 'F', 'Sar', 'meF', 'Asp_piperidide'] | 78 | 2069 | -7.35 | -7.35 | Circle | 6 | -1.96e-16 | -2.756694019 | -9.97e-17 | -2.893659666 | 4.02e-17 | -1.13520867 | 2.48e-15 | -0.249287763 | 2.590905051 | 8559.516071 | 239.0 | null | -7.35 | 168.9199197 | 157.1737909 | 49.17379092 | 91.31492498 | 78.95334768 | 25.36181782 | 16.99571467 | 16.99571467 | 10.23090459 | 10.23090459 | 6.123173517 | 6.123173517 | null | null | null | null | 538.4745156 | 60.5598776 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 87.7889887 | 1408.815882 | 0.509803922 | 0.970588235 | 1.480392157 | 0.532467532 | 242.0 | PEPTIDE2069{A.F.[meL].[meF].L.T.[meL].F.[Sar].[meF].[Asp_piperidide]}$PEPTIDE2069,PEPTIDE2069,1:R1-11:R2$$$ | PEPTIDE2069{<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/... | -9.52 | 102 | 1300.918 | 2069 | null | null | 2.03e+81 | 18.32993896 | 39.05325436 | 23.79650833 | 752.6954536 | null | 18.10231207 | 0.390716755 | 18.10231207 | 0.247762796 | 2.154403118 | 0.247762796 | -8.014620656 | -0.390716755 | 3.5876 | 386.805 | 1409.782 | Circle | 11 | 11 | null | 7 | 25 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 13 | 7 | 25 | 0 | 30 | 0 | 2 | 2 | 554 | pd244 | null | -6.327112793 | 5.731671025 | 66.3671467 | 60.17892468 | 8.47105247 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 161.9597269 | 91.87701267 | 166.5761353 | 64.18483497 | null | -7.35 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)O)NC1=O | 209.560921 | 70.88615675 | 1.431199657 | 61.2583385 | 17.68187306 | 191.1762536 | 54.36971355 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['A', 'F', 'meL', 'meF', 'L', 'T', 'meL', 'F', 'Sar', 'meF', 'Asp_piperidide'] | [-0.2068000000000003, 1.0159999999999998, 1.1616, 1.3581999999999996, 0.8193999999999995, -0.1918000000000002, 1.1616, 1.0159999999999998, -0.2531000000000001, 1.3581999999999996, 0.1758999999999995] | [29.1, 29.1, 20.31, 20.31, 29.1, 38.33, 20.31, 29.1, 20.31, 20.31, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 227.4542793 | 83.02614581 | 17.68187306 | 260.1260314 | 120.8483742 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2069 | null | 316.69 | null | 991.8831551 | 0.0 | 190.8855161 | -15.09160548 | -13.07470665 | -81.44148844 | -127.8095302 | -80.00326654 | -102.5980739 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.084503081 | null |
0999a9371de5dbdfcb0c5ac9f6b9343aab1d3d98074e11b91229ddf6fe50b77d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,069 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'T', 'L', 'meF', 'meF', 'Sar', 'F', 'meA', 'F', 'Ser(tBu)', 'Asp_piperidide'] | 85 | 2070 | -7.72 | -7.72 | Circle | 5 | -2.08e-16 | -2.757478503 | -9.85e-17 | -2.896685703 | 3.15e-17 | -1.134975919 | 2.65e-15 | -0.249287762 | 2.606008804 | 8680.766041 | 235.0 | null | -7.72 | 172.1270265 | 160.0820392 | 50.08203921 | 93.02203176 | 80.36159597 | 25.77006611 | 17.38102503 | 17.38102503 | 10.28830162 | 10.28830162 | 6.089715326 | 6.089715326 | null | null | null | null | 545.2195611 | 59.18911905 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 91.90126436 | 1438.826446 | 0.557692308 | 1.067307692 | 1.596153846 | 0.538461538 | 236.0 | PEPTIDE2070{[meL].T.L.[meF].[meF].[Sar].F.[meA].F.[Ser(tBu)].[Asp_piperidide]}$PEPTIDE2070,PEPTIDE2070,1:R1-11:R2$$$ | PEPTIDE2070{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/F/">F</a>.<a href="/monomer... | -9.56 | 104 | 1328.928 | 2070 | null | null | 8.14e+82 | 18.79759895 | 39.35399022 | 24.82780201 | 766.983882 | null | 18.1048165 | 0.390716897 | 18.1048165 | 0.245643094 | 2.1123298 | 0.245643094 | -8.004246368 | -0.390716897 | 3.3566 | 393.055 | 1439.808 | Circle | 11 | 11 | null | 7 | 26 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 14 | 7 | 26 | 0 | 28 | 0 | 2 | 2 | 566 | pd245 | null | -6.616110003 | 5.984409438 | 71.10400965 | 60.17892468 | 8.47105247 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 148.2559426 | 100.1658064 | 166.5761353 | 79.08638813 | null | -7.72 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 217.0393011 | 70.88615675 | 1.431199657 | 61.2583385 | 11.78791537 | 197.2562716 | 60.9286988 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['meL', 'T', 'L', 'meF', 'meF', 'Sar', 'F', 'meA', 'F', 'Ser(tBu)', 'Asp_piperidide'] | [1.1616, -0.1918000000000002, 0.8193999999999995, 1.3581999999999996, 1.3581999999999996, -0.2531000000000001, 1.0159999999999998, 0.1353999999999999, 1.0159999999999998, 0.5883999999999996, 0.1758999999999995] | [20.31, 38.33, 29.1, 20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 38.33, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 239.6143153 | 87.76300877 | 11.78791537 | 263.3465157 | 120.8483742 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2070 | null | 325.92 | null | 1013.050664 | 0.0 | 191.6202992 | -15.47456144 | -19.39124638 | -75.22848814 | -127.6626856 | -73.56288011 | -115.8511011 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.084666106 | null |
e7c751a735f9cd143ae8855d77b91bf97ef417d114f06e8f07e3296ee1abdf39 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,070 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'Sar', 'L', 'T', 'F', 'meL', 'Ser(tBu)', 'meF', 'meF', 'Asp_piperidide'] | 86 | 2071 | -7.85 | -7.85 | Circle | 4 | -1.89e-16 | -2.756765723 | -1.31e-16 | -2.897622678 | 9.23e-17 | -1.134994732 | 2.58e-15 | -0.249287763 | 2.628904899 | 8680.766041 | 250.0 | null | -7.85 | 172.1270265 | 160.0820392 | 50.08203921 | 93.02203176 | 80.36159597 | 25.77006611 | 17.38102503 | 17.38102503 | 10.28830162 | 10.28830162 | 6.142666175 | 6.142666175 | null | null | null | null | 545.2195611 | 68.78442894 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 82.30595447 | 1438.826446 | 0.548076923 | 1.048076923 | 1.576923077 | 0.538461538 | 255.0 | PEPTIDE2071{[dA].[meF].[Sar].L.T.F.[meL].[Ser(tBu)].[meF].[meF].[Asp_piperidide]}$PEPTIDE2071,PEPTIDE2071,1:R1-11:R2$$$ | PEPTIDE2071{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[meF]</a>.<a ... | -9.56 | 104 | 1328.928 | 2071 | null | null | 3.03e+82 | 18.79759895 | 39.35399022 | 24.82780201 | 766.983882 | null | 18.40772302 | 0.390716897 | 18.40772302 | 0.247492366 | 2.126000912 | 0.247492366 | -8.123596914 | -0.390716897 | 3.3566 | 393.055 | 1439.808 | Circle | 11 | 11 | null | 7 | 26 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 14 | 7 | 26 | 0 | 28 | 0 | 2 | 2 | 566 | pd246 | null | -6.783414102 | 6.088194414 | 71.10400965 | 60.17892468 | 8.47105247 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 148.2559426 | 100.1658064 | 166.5761353 | 79.08638813 | null | -7.85 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O | 217.0393011 | 70.88615675 | 1.431199657 | 61.2583385 | 11.78791537 | 197.2562716 | 60.9286988 | 143.1021801 | 0 | 0.0 | null | null | null | null | ['dA', 'meF', 'Sar', 'L', 'T', 'F', 'meL', 'Ser(tBu)', 'meF', 'meF', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, -0.2531000000000001, 0.8193999999999995, -0.1918000000000002, 1.0159999999999998, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.3581999999999996, 0.1758999999999995] | [29.1, 20.31, 20.31, 29.1, 38.33, 29.1, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.85888012 | 0.0 | 0.0 | 0.0 | 239.6143153 | 87.76300877 | 11.78791537 | 263.3465157 | 120.8483742 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 2071 | null | 325.92 | null | 1014.60698 | 0.0 | 191.4834045 | -15.31743902 | -19.97030724 | -74.90940236 | -129.3594982 | -73.06817029 | -115.9655677 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.084666106 | null |
f63c2efdf83caca8bfff94e576fad70a3294fc00d9687d9e7578297acf5bc47e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,071 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'T', 'meA', 'meF', 'V', 'meF', 'meL', 'G', 'D', 'meF', 'meF', 'A', '-pip'] | 80 | 2072 | -7.06 | -7.06 | Lariat | 8 | -1.88e-16 | -2.756706406 | -7.39e-17 | -2.885122768 | 1.78e-16 | -1.134108626 | 3.32e-15 | -0.249252254 | 2.466472698 | 8639.376572 | 246.0 | null | -7.06 | 169.5746202 | 157.0292528 | 50.02925281 | 91.84163398 | 78.82829222 | 25.73676236 | 17.35988422 | 17.35988422 | 10.66607986 | 10.66607986 | 6.24536231 | 6.24536231 | null | null | null | null | 543.6355169 | 59.18911905 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 87.7889887 | 1437.806045 | 0.615384615 | 1.173076923 | 1.711538462 | 0.519480519 | 242.0 | PEPTIDE2072{A.T.[meA].[meF].V.[meF].[meL].G.D.[meF].[meF].A.[-pip]}$PEPTIDE2072,PEPTIDE2072,1:R1-9:R3$$$ | PEPTIDE2072{<a href="/monomers/A/">A</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/D/">D</a>.<a href="/monomers/meF/... | -10.05 | 104 | 1330.924 | 2072 | null | null | 3.12e+81 | 19.1369173 | 39.001568 | 22.72439411 | 761.2118389 | null | 17.99340873 | 0.390716755 | 17.99340873 | 0.247752851 | 1.985046503 | 0.247752851 | -7.992713178 | -0.390716755 | 2.0182 | 390.639 | 1438.78 | Lariat | 13 | 9 | null | 7 | 27 | null | null | 0 | 2 | 2 | 4 | 0 | 4 | 14 | 7 | 27 | 0 | 34 | 0 | 2 | 2 | 564 | pd247 | null | -6.082172905 | 5.738659771 | 71.26705643 | 66.19681715 | 8.47105247 | 78.22453614 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 148.2559426 | 86.94098941 | 170.8104451 | 65.55559352 | null | -7.06 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N2CCCCC2)CC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 212.9846997 | 76.79333648 | 1.431199657 | 66.15824824 | 11.78791537 | 184.4482962 | 61.34554045 | 143.1021801 | 0 | 0.0 | [['PAMPA']] | [407] | [['-4.26']] | ['2013_CHUGAI'] | ['A', 'T', 'meA', 'meF', 'V', 'meF', 'meL', 'G', 'D', 'meF', 'meF', 'A', '-pip'] | [-0.2068000000000003, -0.1918000000000002, 0.1353999999999999, 1.3581999999999996, 0.4292999999999995, 1.3581999999999996, 1.1616, -0.5953000000000002, -0.6377000000000004, 1.3581999999999996, 1.3581999999999996, -0.2068000000000003, 1.1021] | [29.1, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 46.17, 20.31, 20.31, 29.1, 3.24] | 31.85888012 | 0.0 | 0.0 | 0.0 | 251.2550881 | 87.820683 | 11.78791537 | 246.009423 | 120.8483742 | 8.47105247 | 0.0 | 0 | 2018_CHUGAI | 407 | null | 337.0 | null | 975.2677134 | 0.0 | 202.8276908 | -14.60538365 | -12.98236545 | -78.61131419 | -132.7682823 | -63.732905 | -108.228487 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 0 | 0 | 0 | 0 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.070687265 | null |
9cb1f8219d4fe806ef1f32dddc632157943be128397437f1524b91ba4761e253 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,073 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'Ser(isoamyl)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 99 | 2074 | -5.77 | -5.77 | Circle | 3 | -2.46e-16 | -2.757713075 | -2.79e-16 | -2.889453715 | -3.82e-17 | -1.146433958 | 8.21e-16 | -0.249291019 | 3.635526018 | 8447.067276 | 212.0 | null | -5.77 | 180.40593 | 168.9902875 | 48.9902875 | 95.33961044 | 84.29623747 | 24.6519212 | 16.66081804 | 16.66081804 | 9.633016253 | 9.633016253 | 5.635496125 | 5.635496125 | null | null | null | null | 532.5478487 | 59.14803553 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 105.6088499 | 1428.899611 | 0.598039216 | 1.098039216 | 1.617647059 | 0.68 | 205.0 | PEPTIDE2074{[dA].[meF].[Ser(isoamyl)].[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2074,PEPTIDE2074,1:R1-11:R2$$$ | PEPTIDE2074{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(isoamyl)/">[Ser(isoamyl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href=... | -8.04 | 102 | 1308.894 | 2074 | null | null | 1.8300000000000002e+86 | 17.24947549 | 40.71124927 | 26.65213867 | 773.4693377 | null | 18.25986845 | 0.390716756 | 18.25986845 | 0.247548563 | 2.288040357 | 0.247548563 | -8.22400745 | -0.390716756 | 3.3222 | 387.1193 | 1429.854 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 36 | 0 | 2 | 2 | 570 | pd301 | null | -8.089868697 | 3.389903133 | 75.43096898 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 113.5726686 | 190.6679931 | 77.42082204 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)CCOC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 235.4426661 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 224.6638401 | 81.02249618 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'meF', 'Ser(isoamyl)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 0.8359999999999994, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 264.6080224 | 79.75402192 | 23.57583074 | 307.4513751 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2074 | null | 326.36 | null | 1098.464746 | 0.0 | 187.853086 | -13.38769626 | -13.62465492 | -91.2259165 | -106.950513 | -75.12271945 | -163.7563322 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.109960588 | null |
9444b577f5ca898ad4dfcc989e50f5a51a447144e2f70d21c286d59aa6a6e44c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,074 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'I', 'meF', 'meF', 'Ser(isoamyl)', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | 95 | 2075 | -4.85 | -4.85 | Circle | 6 | -3.24e-16 | -2.758201011 | -2.99e-16 | -2.890952121 | -1.25e-16 | -1.146413543 | 7.64e-16 | -0.249291022 | 3.657994178 | 8708.142976 | 231.0 | null | -4.85 | 184.6988233 | 173.5820392 | 49.58203921 | 97.34382853 | 86.66438238 | 24.96727971 | 16.74911448 | 16.74911448 | 10.03706046 | 10.03706046 | 5.789520377 | 5.789520377 | null | null | null | null | 545.1145762 | 74.18529612 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 96.01354003 | 1440.935997 | 0.572815534 | 1.097087379 | 1.631067961 | 0.688311688 | 226.0 | PEPTIDE2075{[Mono6].[meL].I.[meF].[meF].[Ser(isoamyl)].[meL].T.[meA].[meL].[Asp_piperidide]}$PEPTIDE2075,PEPTIDE2075,1:R1-11:R2$$$ | PEPTIDE2075{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(isoamyl)/">[Ser(isoamyl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers... | -8.0 | 103 | 1316.917 | 2075 | null | null | 1.33e+88 | 17.03230257 | 42.0788779 | 25.97929796 | 786.8574735 | null | 18.45908741 | 0.390716755 | 18.45908741 | 0.247752853 | 2.374502834 | 0.247752853 | -8.257360257 | -0.390716755 | 4.6756 | 394.7306 | 1441.909 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 39 | 0 | 2 | 2 | 576 | pd302 | null | -8.140274818 | 3.272277236 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.3160332 | 105.2838749 | 222.8504316 | 53.28089208 | null | -4.85 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COCCC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 236.1477539 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 231.3296718 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'I', 'meF', 'meF', 'Ser(isoamyl)', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.8193999999999999, 1.3581999999999996, 1.3581999999999996, 0.8359999999999994, 1.1616, -0.1918000000000002, 0.1353999999999999, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.323723 | 75.01715897 | 29.46978843 | 326.5720505 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2075 | null | 308.34 | null | 1135.879039 | 0.0 | 185.2818691 | -10.32566755 | -7.12648588 | -99.2873877 | -108.3287057 | -96.78153826 | -158.0611229 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119460744 | null |
7979bfb321215298b4b519330b911565516e0bef359379f4fba411bf7b951e0d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,075 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'Ser(isoamyl)', 'meF', 'meF', 'Ser(tBu)', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | 102 | 2076 | -6.0 | -6 | Circle | 9 | -3.2e-16 | -2.758193683 | -2.78e-16 | -2.891677026 | -1.35e-16 | -1.146437928 | 4.99e-16 | -0.249291019 | 3.676159303 | 8813.563605 | 232.0 | null | -6.0 | 187.90593 | 176.4902875 | 50.4902875 | 99.05093531 | 88.07263067 | 25.375528 | 17.13442484 | 17.13442484 | 9.976055787 | 9.976055787 | 5.758845818 | 5.758845818 | null | null | null | null | 551.8596218 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 100.1258157 | 1470.946561 | 0.571428571 | 1.076190476 | 1.6 | 0.692307692 | 231.0 | PEPTIDE2076{[Mono6].[meL].[Ser(isoamyl)].[meF].[meF].[Ser(tBu)].[meL].T.[meA].[meL].[Asp_piperidide]}$PEPTIDE2076,PEPTIDE2076,1:R1-11:R2$$$ | PEPTIDE2076{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(isoamyl)/">[Ser(isoamyl)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a... | -8.04 | 105 | 1344.927 | 2076 | null | null | 6.0799999999999995e+90 | 17.48678431 | 42.33919263 | 27.67570645 | 801.1459019 | null | 18.50288404 | 0.390716755 | 18.50288404 | 0.247752853 | 2.396217659 | 0.247752853 | -8.271031078 | -0.390716755 | 4.4446 | 400.9806 | 1471.935 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 27 | 0 | 37 | 0 | 2 | 2 | 588 | pd303 | null | -8.595319756 | 3.516254405 | 75.02106536 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 119.9455935 | 222.8504316 | 68.18244524 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)CCOC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 243.6261339 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 237.4096899 | 87.99832308 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'Ser(isoamyl)', 'meF', 'meF', 'Ser(tBu)', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.8359999999999994, 1.3581999999999996, 1.3581999999999996, 0.5883999999999996, 1.1616, -0.1918000000000002, 0.1353999999999999, 1.1616, 0.1758999999999995] | [20.31, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 276.4837591 | 79.75402192 | 23.57583074 | 329.7925348 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2076 | null | 317.57 | null | 1156.94904 | 0.0 | 185.4846177 | -10.37446706 | -13.88856586 | -91.91873256 | -108.6770443 | -90.11274217 | -171.4621057 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.121448162 | null |
07922e593de8d1984657b0ef0e3322e176b8aa309d0c365807cea119b47a4045 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,076 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Ser(isoamyl)', 'meL', 'meF', 'V', 'meF', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 93 | 2077 | -5.66 | -5.66 | Circle | 3 | -3.03e-16 | -2.757915958 | -2.71e-16 | -2.886279499 | -6.35e-17 | -1.146419908 | 7.15e-16 | -0.249291012 | 3.643999351 | 8320.911415 | 234.0 | null | -5.66 | 177.1988233 | 166.0820392 | 48.08203921 | 93.59382853 | 82.91438238 | 24.21727971 | 16.37411448 | 16.37411448 | 9.782369569 | 9.782369569 | 5.682742458 | 5.682742458 | null | null | null | null | 525.9958015 | 64.58998623 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 97.38429859 | 1398.889046 | 0.57 | 1.09 | 1.64 | 0.675675676 | 238.0 | PEPTIDE2077{[meA].[Ser(isoamyl)].[meL].[meF].V.[meF].[meL].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2077,PEPTIDE2077,1:R1-11:R2$$$ | PEPTIDE2077{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Ser(isoamyl)/">[Ser(isoamyl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar... | -8.0 | 100 | 1280.884 | 2077 | null | null | 1.4000000000000001e+85 | 16.7923472 | 39.85185986 | 24.37980917 | 759.3328242 | null | 18.25030877 | 0.390716756 | 18.25030877 | 0.247548563 | 2.33268251 | 0.247548563 | -8.322770349 | -0.390716756 | 3.5053 | 380.8796 | 1399.828 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 38 | 0 | 2 | 2 | 558 | pd304 | null | -7.543381271 | 3.210446344 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 98.91094995 | 199.0145785 | 62.51926887 | null | -5.66 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)CCOC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 227.9232025 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 212.2108971 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'Ser(isoamyl)', 'meL', 'meF', 'V', 'meF', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8359999999999994, 1.1616, 1.3581999999999996, 0.4292999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.323723 | 75.01715897 | 29.46978843 | 299.2287244 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2077 | null | 308.34 | null | 1078.67251 | 0.0 | 184.7516415 | -10.00126032 | -7.043984023 | -98.5996446 | -107.2895973 | -75.109359 | -157.8803064 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.133577394 | null |
5dd8387763b66123a306e0e32b1bb7a6e5cc387d3709c2724b8f8d77b2dd7450 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,077 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'V', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(isoamyl)', 'meL', 'Asp_piperidide'] | 93 | 2078 | -5.64 | -5.64 | Circle | 7 | -2.81e-16 | -2.757847593 | -2.6e-16 | -2.887057927 | -1.73e-16 | -1.146402877 | 1.1e-15 | -0.249291012 | 3.594545595 | 8199.091514 | 207.0 | null | -5.64 | 174.6988233 | 163.5820392 | 47.58203921 | 92.34382853 | 81.66438238 | 23.96727971 | 16.13731108 | 16.13731108 | 9.563633434 | 9.563633434 | 5.576068135 | 5.576068135 | null | null | null | null | 519.6228766 | 57.73619345 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 101.4965743 | 1384.873396 | 0.555555556 | 1.04040404 | 1.555555556 | 0.671232877 | 204.0 | PEPTIDE2078{[Sar].[meF].V.[meL].T.[Sar].[meF].[meL].[Ser(isoamyl)].[meL].[Asp_piperidide]}$PEPTIDE2078,PEPTIDE2078,1:R1-11:R2$$$ | PEPTIDE2078{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(isoamyl)/">[Ser(i... | -8.0 | 99 | 1268.873 | 2078 | null | null | 1.7299999999999997e+83 | 16.71428571 | 39.70204945 | 24.99049805 | 750.1579411 | null | 17.97582387 | 0.390716756 | 17.97582387 | 0.247548563 | 2.223399064 | 0.247548563 | -8.255167563 | -0.390716756 | 3.1168 | 376.2846 | 1385.801 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 37 | 0 | 2 | 2 | 552 | pd305 | null | -7.211565949 | 3.288267719 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 92.05905784 | 194.9023029 | 70.38688711 | null | -5.64 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)CCOC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 199.3411125 | 87.93619753 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'V', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(isoamyl)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.4292999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.8359999999999994, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.8026902 | 75.01715897 | 29.46978843 | 289.6353152 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2078 | null | 308.34 | null | 1056.996513 | 0.0 | 183.9484588 | -10.00542181 | -6.746515519 | -97.7185475 | -97.98068493 | -74.72164174 | -157.5221601 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.134112124 | null |
cb547a2894c139cd23b1ad741b98821a8ff36a4f3f7c114e82115fa0b24353c6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,078 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'Me_Abu', 'T', 'Sar', 'Me_Ser(isoamyl)', 'L', 'meF', 'meL', 'Asp_piperidide'] | 96 | 2079 | -5.92 | -5.92 | Circle | 5 | -3.48e-16 | -2.758030683 | -3.22e-16 | -2.887162962 | -1.37e-16 | -1.146428246 | 7.1e-16 | -0.249291016 | 3.636664527 | 8326.42119 | 246.0 | null | -5.92 | 177.1988233 | 166.0820392 | 48.08203921 | 93.63250366 | 82.88798918 | 24.24367291 | 16.27550768 | 16.27550768 | 9.687422624 | 9.687422624 | 5.683257976 | 5.683257976 | null | null | null | null | 525.8028031 | 60.51879408 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 101.4965743 | 1398.889046 | 0.58 | 1.11 | 1.65 | 0.675675676 | 235.0 | PEPTIDE2079{[dV].[meF].L.[Me_Abu].T.[Sar].[Me_Ser(isoamyl)].L.[meF].[meL].[Asp_piperidide]}$PEPTIDE2079,PEPTIDE2079,1:R1-11:R2$$$ | PEPTIDE2079{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Abu/">[Me_Abu]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/Me_Ser(isoamyl)/">[Me_Ser(isoamyl)]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers... | -8.0 | 100 | 1280.884 | 2079 | null | null | 2.03e+84 | 16.7923472 | 40.44444444 | 24.9602605 | 759.1809093 | null | 18.2883501 | 0.390716756 | 18.2883501 | 0.247548563 | 2.288468614 | 0.247548563 | -8.276038552 | -0.390716756 | 3.5532 | 380.8693 | 1399.828 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 38 | 0 | 2 | 2 | 558 | pd306 | null | -7.696753408 | 3.169852182 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.7950004 | 98.43198274 | 190.6679931 | 62.51926887 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](COCCC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N1C | 227.964286 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 218.583822 | 74.46351094 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'Me_Abu', 'T', 'Sar', 'Me_Ser(isoamyl)', 'L', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 0.5255000000000001, -0.1918000000000002, -0.2531000000000001, 1.1782, 0.8193999999999995, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 29.54, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 252.4479864 | 75.01715897 | 29.46978843 | 304.2308908 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2079 | null | 317.13 | null | 1077.749342 | 0.0 | 187.9375823 | -13.43077662 | -7.008155387 | -98.40416798 | -106.9759649 | -82.26603349 | -150.1018262 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.109704226 | null |
06e8a9d3e551b70b3b16416491600fc515cb4d9d7e826ed0293c27145e8e9497 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,079 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'Me_Ser(isoamyl)', 'meF', 'Abu', 'meF', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 96 | 2080 | -5.54 | -5.54 | Circle | 4 | -3.03e-16 | -2.757947493 | -2.88e-16 | -2.882844479 | -6.66e-17 | -1.14641118 | 9.17e-16 | -0.249291004 | 3.603296742 | 8215.091514 | 218.0 | null | -5.54 | 174.6988233 | 163.5820392 | 47.58203921 | 92.34382853 | 81.66438238 | 23.96727971 | 16.12411448 | 16.12411448 | 9.66396787 | 9.66396787 | 5.596196164 | 5.596196164 | null | null | null | null | 519.6228766 | 65.96074478 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1384.873396 | 0.585858586 | 1.111111111 | 1.676767677 | 0.671232877 | 221.0 | PEPTIDE2080{[meA].L.[Me_Ser(isoamyl)].[meF].[Abu].[meF].[meL].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2080,PEPTIDE2080,1:R1-11:R2$$$ | PEPTIDE2080{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Ser(isoamyl)/">[Me_Ser(isoamyl)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monome... | -8.0 | 99 | 1268.873 | 2080 | null | null | 2.51e+82 | 16.71428571 | 39.70204945 | 24.40250692 | 750.1579411 | null | 18.13982758 | 0.390716756 | 18.13982758 | 0.247693451 | 2.298783641 | 0.247693451 | -8.240980697 | -0.390716756 | 3.2593 | 376.3326 | 1385.801 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 37 | 0 | 2 | 2 | 552 | pd307 | null | -7.115007464 | 3.273850199 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.0912161 | 99.38991717 | 196.2730614 | 62.51926887 | null | -5.54 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COCCC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 211.7319299 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'Me_Ser(isoamyl)', 'meF', 'Abu', 'meF', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1782, 1.3581999999999996, 0.1833, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 29.54, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.323723 | 75.01715897 | 23.57583074 | 296.0082401 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2080 | null | 308.34 | null | 1057.442223 | 0.0 | 183.9550714 | -9.808178487 | -6.931398516 | -90.3973524 | -106.0864157 | -81.62087086 | -150.3030782 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.133974845 | null |
66f7eea423a04bc4aa8e9e0bf52762a811a354c0c2d1c3f8234f0da69046878f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,080 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'Me_Ser(isoamyl)', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 94 | 2081 | -5.68 | -5.68 | Circle | 2 | -3.38e-16 | -2.757959505 | -2.55e-16 | -2.886731046 | -1.17e-16 | -1.146474385 | 6.93e-16 | -0.249291216 | 3.675136781 | 8444.449793 | 241.0 | null | -5.68 | 179.6988233 | 168.5820392 | 48.58203921 | 94.84382853 | 84.16438238 | 24.46727971 | 16.49911448 | 16.49911448 | 9.78896787 | 9.78896787 | 5.714597863 | 5.714597863 | null | null | null | null | 532.3687264 | 67.33150334 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 97.38429859 | 1412.904697 | 0.554455446 | 1.04950495 | 1.584158416 | 0.68 | 204.0 | PEPTIDE2081{[meA].L.[meL].[meF].L.[meF].[Me_Ser(isoamyl)].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2081,PEPTIDE2081,1:R1-11:R2$$$ | PEPTIDE2081{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Me_Ser(isoamyl)/">[Me_Ser(isoamyl)]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar... | -8.0 | 101 | 1292.895 | 2081 | null | null | 8.3e+85 | 16.87139918 | 40.59097448 | 25.48476454 | 768.5077073 | null | 18.27561667 | 0.390716756 | 18.27561667 | 0.247548574 | 2.373777752 | 0.247548574 | -8.333114073 | -0.390716756 | 3.8954 | 385.4966 | 1413.855 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 39 | 0 | 2 | 2 | 564 | pd308 | null | -7.867021117 | 3.260658843 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 105.2838749 | 201.7560957 | 62.51926887 | null | -5.68 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)CCOC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 230.6647196 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 218.583822 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'L', 'meF', 'Me_Ser(isoamyl)', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1782, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.54, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.323723 | 75.01715897 | 29.46978843 | 308.3431665 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2081 | null | 308.34 | null | 1098.520868 | 0.0 | 185.1657017 | -10.12186336 | -7.14621333 | -98.67513021 | -108.1701728 | -83.00041144 | -157.8227786 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.124763251 | null |
76006a8fe2ec0a499ffd25101f7c028c1ad8bd38f087c9da9598a4f7b1e13da6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,081 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meL', 'Ser(tBu)', 'meA', 'meL', 'meA', 'T', 'meF', 'Hph', 'meL', 'Asp_piperidide'] | 90 | 2082 | -5.96 | -5.96 | Circle | 5 | -2.49e-16 | -2.757741368 | -2.38e-16 | -2.887844303 | -4.27e-17 | -1.135232484 | 9.63e-16 | -0.249287763 | 3.570861099 | 8068.424154 | 215.0 | null | -5.96 | 172.1988233 | 161.0820392 | 47.08203921 | 91.13250366 | 80.38798918 | 23.74367291 | 16.21643522 | 16.21643522 | 9.539484696 | 9.539484696 | 5.500642504 | 5.500642504 | null | null | null | null | 513.0569533 | 53.6650013 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 102.8673328 | 1370.857746 | 0.591836735 | 1.112244898 | 1.663265306 | 0.666666667 | 205.0 | PEPTIDE2082{[dA].[meL].[Ser(tBu)].[meA].[meL].[meA].T.[meF].[Hph].[meL].[Asp_piperidide]}$PEPTIDE2082,PEPTIDE2082,1:R1-11:R2$$$ | PEPTIDE2082{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Hph/">[... | -8.0 | 98 | 1256.862 | 2082 | null | null | 1.65e+80 | 16.63726108 | 37.81706447 | 23.88296461 | 740.8311431 | null | 18.02863575 | 0.390716755 | 18.02863575 | 0.247773754 | 2.129033808 | 0.247773754 | -8.107389668 | -0.390716755 | 3.058 | 371.7313 | 1371.774 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 32 | 0 | 2 | 2 | 546 | pd309 | null | -6.842546698 | 3.229361369 | 70.69410603 | 66.19681715 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 101.5355398 | 127.7554201 | 176.3653244 | 57.51118433 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1C | 222.4812518 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 230.6817325 | 61.40766601 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'meL', 'Ser(tBu)', 'meA', 'meL', 'meA', 'T', 'meF', 'Hph', 'meL', 'Asp_piperidide'] | [-0.2068000000000003, 1.1616, 0.5883999999999996, 0.1353999999999999, 1.1616, 0.1353999999999999, -0.1918000000000002, 1.3581999999999996, 1.4060999999999997, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.0110847 | 75.01715897 | 17.68187306 | 299.2268238 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2082 | null | 317.13 | null | 1038.498237 | 0.0 | 186.4382298 | -12.95203616 | -13.02287978 | -84.21085741 | -111.7418272 | -74.77053084 | -143.2383353 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.14943634 | null |
72ee4fc3315257e0f03c69454ecad80d27f00227c345a65e854f424ab900c4e4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,082 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'meF', 'Hph', 'meL', 'T', 'Sar', 'meL', 'meF', 'Ser(tBu)', 'meA', 'Asp_piperidide'] | 91 | 2083 | -5.8 | -5.8 | Circle | 8 | -2.33e-16 | -2.757051386 | -2.12e-16 | -2.883668533 | 3.84e-17 | -1.135216747 | 2.33e-15 | -0.249287763 | 3.007054548 | 8375.205396 | 222.0 | null | -5.8 | 172.1629249 | 160.5820392 | 48.58203921 | 92.01925501 | 80.41438238 | 24.71727971 | 16.82823862 | 16.82823862 | 10.03409721 | 10.03409721 | 5.782240805 | 5.782240805 | null | null | null | null | 529.4277548 | 56.36543489 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 97.38429859 | 1404.842096 | 0.584158416 | 1.108910891 | 1.633663366 | 0.6 | 221.0 | PEPTIDE2083{[meA].[meF].[Hph].[meL].T.[Sar].[meL].[meF].[Ser(tBu)].[meA].[Asp_piperidide]}$PEPTIDE2083,PEPTIDE2083,1:R1-11:R2$$$ | PEPTIDE2083{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser... | -8.78 | 101 | 1292.895 | 2083 | null | null | 1.12e+82 | 17.69947438 | 38.30826249 | 23.92315681 | 754.1353848 | null | 17.91023893 | 0.390716756 | 17.91023893 | 0.247548563 | 2.097559298 | 0.247548563 | -7.981036071 | -0.390716756 | 3.2083 | 382.4546 | 1405.791 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 26 | 0 | 30 | 0 | 2 | 2 | 556 | pd310 | null | -6.253692659 | 4.841219997 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 118.0438491 | 114.2000969 | 180.1187663 | 72.23259535 | null | -5.8 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 219.6986512 | 70.88615675 | 1.431199657 | 60.43853126 | 11.78791537 | 204.1081637 | 74.8803526 | 107.3266351 | 0 | 0.0 | [['Caco2'], ['Caco2']] | [2008, 7849] | [['-5.68'], ['-5.68']] | ['2018_CHUGAI', '2023_Ohta'] | ['meA', 'meF', 'Hph', 'meL', 'T', 'Sar', 'meL', 'meF', 'Ser(tBu)', 'meA', 'Asp_piperidide'] | [0.1353999999999999, 1.3581999999999996, 1.4060999999999997, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 1.3581999999999996, 0.5883999999999996, 0.1353999999999999, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.3657886 | 81.39008387 | 11.78791537 | 276.4909155 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2008 | null | 308.34 | null | 1026.366004 | 0.0 | 184.4847734 | -9.488919065 | -16.32394368 | -76.41358477 | -116.4668448 | -73.70862989 | -137.1988552 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.146073574 | null |
10e460abd2ff16b177dbadb2495b6eb2ece1dacd0db5c6e0f791f608ffc1ca72 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,083 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'A', 'meF', 'meL', 'Sar', 'T', 'meV', 'Hph', 'meL', 'meF', 'Asp_piperidide'] | 84 | 2084 | -5.59 | -5.59 | Circle | 5 | -2.28e-16 | -2.757694757 | -2.08e-16 | -2.886918287 | -1.34e-17 | -1.13522347 | 1.8e-15 | -0.249287763 | 3.050545634 | 8360.56406 | 219.0 | null | -5.59 | 171.4558181 | 160.1737909 | 48.17379092 | 91.56214823 | 80.25613409 | 24.55903142 | 16.69292826 | 16.69292826 | 10.20690528 | 10.20690528 | 6.056303198 | 6.056303198 | null | null | null | null | 529.0556341 | 56.36543489 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 97.38429859 | 1388.847182 | 0.56 | 1.07 | 1.6 | 0.6 | 221.0 | PEPTIDE2084{[meV].A.[meF].[meL].[Sar].T.[meV].[Hph].[meL].[meF].[Asp_piperidide]}$PEPTIDE2084,PEPTIDE2084,1:R1-11:R2$$$ | PEPTIDE2084{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a hr... | -8.74 | 100 | 1276.896 | 2084 | null | null | 3.31e+81 | 17.30773094 | 38.16990729 | 22.38088198 | 749.0218396 | null | 18.29558151 | 0.390716756 | 18.29558151 | 0.247772099 | 2.144441699 | 0.247772099 | -8.257206748 | -0.390716756 | 3.6853 | 380.7516 | 1389.792 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 13 | 5 | 25 | 0 | 33 | 0 | 2 | 2 | 550 | pd311 | null | -6.428937284 | 4.555292223 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 145.4514176 | 98.58044376 | 182.8602834 | 57.33104219 | null | -5.59 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1C | 214.9617882 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 198.5071129 | 68.32136735 | 107.3266351 | 0 | 0.0 | [['Caco2']] | [2007] | [['-5.59']] | ['2018_CHUGAI'] | ['meV', 'A', 'meF', 'meL', 'Sar', 'T', 'meV', 'Hph', 'meL', 'meF', 'Asp_piperidide'] | [0.7715000000000001, -0.2068000000000003, 1.3581999999999996, 1.1616, -0.2531000000000001, -0.1918000000000002, 0.7715000000000001, 1.4060999999999997, 1.1616, 1.3581999999999996, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 29.1, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 76.65322091 | 23.57583074 | 276.4909155 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2007 | null | 299.11 | null | 1027.894517 | 0.0 | 185.2151625 | -9.496554214 | -9.99434666 | -91.56452085 | -117.9144165 | -74.66842941 | -131.7214115 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.145322491 | null |
705c271fc231aa89d8bb0ffd233dc9d6426cc6f7dd1a063e122825189d1d9773 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,085 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meA', 'V', 'meL', 'T', 'Sar', 'meL', 'Hph', 'meF', 'meL', 'Asp_piperidide'] | 83 | 2086 | -5.6 | -5.6 | Circle | 3 | -3.02e-16 | -2.758005378 | -2.34e-16 | -2.888043259 | -8.78e-17 | -1.13522459 | 8.26e-16 | -0.249287763 | 3.574326626 | 7932.548848 | 244.0 | null | -5.6 | 168.9917165 | 158.1737909 | 46.17379092 | 89.42539688 | 78.97974089 | 23.33542462 | 15.84432146 | 15.84432146 | 9.493556631 | 9.493556631 | 5.528276327 | 5.528276327 | null | null | null | null | 506.3119077 | 59.14803553 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 94.64278148 | 1340.847182 | 0.572916667 | 1.083333333 | 1.614583333 | 0.661971831 | 239.0 | PEPTIDE2086{[dV].[meA].V.[meL].T.[Sar].[meL].[Hph].[meF].[meL].[Asp_piperidide]}$PEPTIDE2086,PEPTIDE2086,1:R1-11:R2$$$ | PEPTIDE2086{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/meF/">[meF]</a>.<a href... | -7.96 | 96 | 1228.852 | 2086 | null | null | 1.06e+80 | 16.17910856 | 37.52424103 | 22.84380661 | 726.5427148 | null | 18.24572169 | 0.390716756 | 18.24572169 | 0.247548563 | 2.135753898 | 0.247548563 | -8.167338871 | -0.390716756 | 3.1465 | 365.4333 | 1341.748 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 6 | 25 | 0 | 34 | 0 | 2 | 2 | 534 | pd313 | null | -6.614505913 | 3.126144707 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 105.2838749 | 174.9945658 | 50.4772494 | null | -5.6 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 215.0028717 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 212.2108971 | 61.34554045 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meA', 'V', 'meL', 'T', 'Sar', 'meL', 'Hph', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 0.1353999999999999, 0.4292999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 1.4060999999999997, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 239.3300159 | 70.28029601 | 29.46978843 | 289.6334146 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2086 | null | 307.9 | null | 1018.098499 | 0.0 | 186.2484438 | -13.07728697 | -6.638037927 | -98.12409473 | -104.5798395 | -75.00421058 | -136.6734735 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.149593834 | null |
e8f5661221ee23c660f20de9928feaac58c76ecae24023214628b57a212db369 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,086 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'meF', 'Hph', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meL', 'meA', 'Asp_piperidide'] | 90 | 2087 | -5.85 | -5.85 | Circle | 3 | -2.75e-16 | -2.757127816 | -2.89e-16 | -2.886251842 | -2.65e-17 | -1.135225491 | 9.72e-16 | -0.249287763 | 3.63172597 | 8298.872315 | 235.0 | null | -5.85 | 177.1988233 | 166.0820392 | 48.08203921 | 93.63250366 | 82.88798918 | 24.24367291 | 16.47963183 | 16.47963183 | 9.564150261 | 9.564150261 | 5.593787099 | 5.593787099 | null | null | null | null | 525.8028031 | 63.26031119 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 98.75505715 | 1398.889046 | 0.6 | 1.13 | 1.7 | 0.675675676 | 234.0 | PEPTIDE2087{[dL].[meF].[Hph].[meL].T.[Sar].[meL].[Ser(tBu)].[meL].[meA].[Asp_piperidide]}$PEPTIDE2087,PEPTIDE2087,1:R1-11:R2$$$ | PEPTIDE2087{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[... | -8.0 | 100 | 1280.884 | 2087 | null | null | 1.7299999999999998e+84 | 16.7923472 | 39.27220417 | 25.56169099 | 759.1809093 | null | 18.00594676 | 0.390716756 | 18.00594676 | 0.247548563 | 2.1452634 | 0.247548563 | -8.233776115 | -0.390716756 | 3.6957 | 380.9173 | 1399.828 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 34 | 0 | 2 | 2 | 558 | pd314 | null | -7.362869943 | 3.471148143 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 126.3185184 | 180.4776001 | 65.37880257 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 227.964286 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 231.036765 | 67.9045257 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dL', 'meF', 'Hph', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meL', 'meA', 'Asp_piperidide'] | [0.8193999999999995, 1.3581999999999996, 1.4060999999999997, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.1616, 0.1353999999999999, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 75.01715897 | 23.57583074 | 311.0827829 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2087 | null | 317.13 | null | 1078.25175 | 0.0 | 187.4871619 | -13.41252504 | -13.22393989 | -92.13197205 | -105.7691197 | -82.84692276 | -150.8544322 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.131686081 | null |
bc27a60f11c73a390ce5c4a5a0ce805a7e410afab4574938c96abe4b57196500 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,087 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meL', 'Hph', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 90 | 2088 | -5.77 | -5.77 | Circle | 5 | -3.25e-16 | -2.758097937 | -2.79e-16 | -2.888925389 | -1.57e-16 | -1.135229852 | 8.04e-16 | -0.249287763 | 3.719810411 | 8528.645565 | 211.0 | null | -5.77 | 182.1988233 | 171.0820392 | 49.08203921 | 96.13250366 | 85.38798918 | 24.74367291 | 16.85463183 | 16.85463183 | 9.80095366 | 9.80095366 | 5.784572384 | 5.784572384 | null | null | null | null | 538.5486529 | 64.63106975 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 102.8673328 | 1426.920347 | 0.578431373 | 1.068627451 | 1.578431373 | 0.684210526 | 218.0 | PEPTIDE2088{[dV].[meL].[Hph].[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2088,PEPTIDE2088,1:R1-11:R2$$$ | PEPTIDE2088{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meF/">[... | -8.0 | 102 | 1304.906 | 2088 | null | null | 2.61e+86 | 16.95139801 | 40.16081633 | 26.05423891 | 777.5306756 | null | 18.34000903 | 0.390716756 | 18.34000903 | 0.247548563 | 2.187873755 | 0.247548563 | -8.334672216 | -0.390716756 | 4.3318 | 390.0813 | 1427.882 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 36 | 0 | 2 | 2 | 570 | pd315 | null | -8.13447174 | 3.549403957 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 125.360584 | 185.9606343 | 65.37880257 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 233.4473203 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 237.8886571 | 67.9045257 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meL', 'Hph', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.1616, 1.4060999999999997, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 75.01715897 | 29.46978843 | 323.4177093 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2088 | null | 317.13 | null | 1120.790961 | 0.0 | 189.2821484 | -13.93597133 | -13.50037411 | -101.2202775 | -108.2104007 | -84.25374106 | -158.952345 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.121102103 | null |
ea30094e6bcabdc7f094f771c28f6c6034caa0fdacef59a107fad0d38ebab1c1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,088 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'I', 'meF', 'meL', 'Hph', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | 86 | 2089 | -4.85 | -4.85 | Circle | 2 | -3.62e-16 | -2.758201895 | -3.32e-16 | -2.887083738 | -1.7e-16 | -1.135283324 | 5.83e-16 | -0.249287763 | 3.649135056 | 8559.392096 | 200.0 | null | -4.85 | 181.4917165 | 170.6737909 | 48.67379092 | 95.63672175 | 85.25613409 | 24.55903142 | 16.56792826 | 16.56792826 | 9.968194466 | 9.968194466 | 5.775762201 | 5.775762201 | null | null | null | null | 538.3695306 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 94.64278148 | 1410.925432 | 0.554455446 | 1.059405941 | 1.574257426 | 0.684210526 | 223.0 | PEPTIDE2089{[Mono6].[meL].I.[meF].[meL].[Hph].[meL].T.[meA].[meL].[Asp_piperidide]}$PEPTIDE2089,PEPTIDE2089,1:R1-11:R2$$$ | PEPTIDE2089{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/">[meA]</a>.<... | -7.96 | 101 | 1288.907 | 2089 | null | null | 7.49e+86 | 16.5787039 | 40.62060694 | 24.9203748 | 772.5690452 | null | 18.38124675 | 0.390716755 | 18.38124675 | 0.247752853 | 2.212264056 | 0.247752853 | -8.317952795 | -0.390716755 | 5.0491 | 388.5286 | 1411.883 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 37 | 0 | 2 | 2 | 564 | pd316 | null | -7.55535083 | 3.360763474 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.3160332 | 118.0297247 | 212.6600385 | 41.23887261 | null | -4.85 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 228.6693738 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 237.7025967 | 68.32136735 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'I', 'meF', 'meL', 'Hph', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.8193999999999999, 1.3581999999999996, 1.1616, 1.4060999999999997, 1.1616, -0.1918000000000002, 0.1353999999999999, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 70.28029601 | 29.46978843 | 330.2034583 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2089 | null | 299.11 | null | 1116.464164 | 0.0 | 184.8950306 | -10.29926987 | -6.84167496 | -100.3209436 | -107.4862887 | -104.8967563 | -145.0142608 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.138769367 | null |
dfdad679570c7c2bf36c14b3bbc74ea53d83c5830144fd1331738089929b8799 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,089 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'Hph', 'meL', 'meF', 'Ser(tBu)', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 93 | 2090 | -5.74 | -5.74 | Circle | 1 | -3.4e-16 | -2.758074291 | -2.82e-16 | -2.888878073 | -1.52e-16 | -1.135234683 | 8.46e-16 | -0.249287763 | 3.625124068 | 8542.15534 | 212.0 | null | -5.74 | 182.1988233 | 171.0820392 | 49.08203921 | 96.09382853 | 85.41438238 | 24.71727971 | 16.71643522 | 16.71643522 | 9.68845366 | 9.68845366 | 5.638413319 | 5.638413319 | null | null | null | null | 538.7416513 | 72.81453757 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 94.64278148 | 1426.920347 | 0.568627451 | 1.068627451 | 1.617647059 | 0.684210526 | 231.0 | PEPTIDE2090{[Mono6].[meL].[Hph].[meL].[meF].[Ser(tBu)].[meL].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2090,PEPTIDE2090,1:R1-11:R2$$$ | PEPTIDE2090{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/S... | -8.0 | 102 | 1304.906 | 2090 | null | null | 2.94e+87 | 16.95139801 | 40.74074841 | 26.67455621 | 777.6825904 | null | 18.38290208 | 0.390716756 | 18.38290208 | 0.247548563 | 2.186529728 | 0.247548563 | -8.357765955 | -0.390716756 | 4.4296 | 390.1836 | 1427.882 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 34 | 0 | 2 | 2 | 570 | pd317 | null | -7.689836012 | 3.710958255 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 125.8395512 | 208.5477629 | 64.00804401 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CCCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 233.4062367 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 230.9128302 | 81.37721228 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'Hph', 'meL', 'meF', 'Ser(tBu)', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 1.4060999999999997, 1.1616, 1.3581999999999996, 0.5883999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.8447558 | 75.01715897 | 23.57583074 | 323.8305334 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2090 | null | 308.34 | null | 1116.238924 | 0.0 | 183.9934039 | -10.15831383 | -13.48669654 | -92.02924501 | -99.17082577 | -97.44561559 | -157.9416313 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.146466153 | null |
b18f0fc56d98651bc5482a0b74c6f576141ae04033116a723e9f1e699d283e0a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,090 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'V', 'meL', 'meF', 'A', 'meA', 'meL', 'Hph', 'Sar', 'meL', 'Asp_piperidide'] | 84 | 2091 | -5.6 | -5.6 | Circle | 6 | -2.99e-16 | -2.757951492 | -2.26e-16 | -2.875944518 | -9.05e-17 | -1.135235829 | 1.23e-15 | -0.249287763 | 3.463213433 | 7671.011271 | 204.0 | null | -5.6 | 163.2846097 | 152.7655426 | 44.76554263 | 86.32606158 | 76.39376165 | 22.60490727 | 15.36380412 | 15.36380412 | 9.255025595 | 9.255025595 | 5.293320417 | 5.293320417 | null | null | null | null | 494.0519632 | 46.770125 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 101.4361332 | 1296.820967 | 0.548387097 | 1.096774194 | 1.655913978 | 0.652173913 | 174.0 | PEPTIDE2091{[meA].V.[meL].[meF].A.[meA].[meL].[Hph].[Sar].[meL].[Asp_piperidide]}$PEPTIDE2091,PEPTIDE2091,1:R1-11:R2$$$ | PEPTIDE2091{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a hr... | -7.92 | 93 | 1188.831 | 2091 | null | null | 2.81e+75 | 15.64394537 | 35.93612675 | 21.83152918 | 703.4639594 | null | 17.7374565 | 0.342781628 | 17.7374565 | 0.245337767 | 2.051737229 | 0.245337767 | -8.004949579 | -0.342781628 | 3.4917 | 354.8898 | 1297.695 | Circle | 11 | 11 | null | 4 | 24 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 12 | 4 | 24 | 0 | 31 | 0 | 2 | 2 | 516 | pd318 | null | -4.734101399 | 2.577663902 | 60.43853126 | 60.17892468 | 5.647368313 | 70.88615675 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.239324 | 106.2418093 | 180.5996342 | 43.02647282 | null | -5.6 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)N(C)CC(=O)N1C | 205.7407044 | 70.88615675 | 0.0 | 60.43853126 | 23.57583074 | 199.278987 | 68.32136735 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7906] | [['-5.60']] | ['2023_Ohta'] | ['meA', 'V', 'meL', 'meF', 'A', 'meA', 'meL', 'Hph', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.4292999999999995, 1.1616, 1.3581999999999996, -0.2068000000000003, 0.1353999999999999, 1.1616, 1.4060999999999997, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 238.5857266 | 70.28029601 | 23.57583074 | 280.0400053 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2091 | null | 278.88 | null | 976.3042672 | 0.0 | 181.303357 | -12.96364722 | -6.303694378 | -89.48141908 | -101.6006731 | -66.74705722 | -136.2611332 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.22446933 | null |
509186d7ef93364dd9c8cb79ac1fe15ccbdc9c548828310e8fc7ea408a931c3f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,091 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meV', 'Hph', 'meL', 'T', 'Sar', 'meF', 'meL', 'V', 'meL', 'Asp_piperidide'] | 84 | 2092 | -5.66 | -5.66 | Circle | 9 | -3.19e-16 | -2.758116309 | -2.57e-16 | -2.885318767 | -1.03e-16 | -1.135232687 | 8.49e-16 | -0.249287763 | 3.553092768 | 7928.548848 | 213.0 | null | -5.66 | 168.9917165 | 158.1737909 | 46.17379092 | 89.38672175 | 79.00613409 | 23.30903142 | 15.83112486 | 15.83112486 | 9.488169142 | 9.488169142 | 5.553276327 | 5.553276327 | null | null | null | null | 506.5049061 | 50.88240067 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 102.8673328 | 1340.847182 | 0.552083333 | 1.0625 | 1.583333333 | 0.661971831 | 205.0 | PEPTIDE2092{[Sar].[meV].[Hph].[meL].T.[Sar].[meF].[meL].V.[meL].[Asp_piperidide]}$PEPTIDE2092,PEPTIDE2092,1:R1-11:R2$$$ | PEPTIDE2092{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/Hph/">[Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a hr... | -7.96 | 96 | 1228.852 | 2092 | null | null | 2.96e+80 | 16.17910856 | 37.52424103 | 22.84380661 | 726.6946296 | null | 17.85533069 | 0.390716756 | 17.85533069 | 0.247548563 | 2.097829165 | 0.247548563 | -8.137544341 | -0.390716756 | 3.1002 | 365.4656 | 1341.748 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 34 | 0 | 2 | 2 | 534 | pd319 | null | -6.269545193 | 3.294371479 | 65.54733945 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 98.43198274 | 181.9703927 | 58.34486764 | null | -5.66 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)N1C | 214.9617882 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 199.3411125 | 74.81822704 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meV', 'Hph', 'meL', 'T', 'Sar', 'meF', 'meL', 'V', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 0.7715000000000001, 1.4060999999999997, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.4292999999999995, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.6847197 | 70.28029601 | 29.46978843 | 284.152281 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2092 | null | 299.11 | null | 1017.7341 | 0.0 | 183.0989869 | -9.870002043 | -6.467743983 | -98.50778752 | -96.64863474 | -74.63946912 | -144.4494494 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.171578127 | null |
c196dc9859f853184dd5c9ab3500cafdc64b0a28a7559be4531ca0ee4df0bf93 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,093 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'V', 'meL', 'T', 'Sar', 'meL', 'L', 'Me_Hph', 'meL', 'Asp_piperidide'] | 84 | 2094 | -5.89 | -5.89 | Circle | 9 | -2.98e-16 | -2.757864879 | -2.44e-16 | -2.887670552 | -1.12e-16 | -1.135688834 | 1.09e-15 | -0.249287767 | 3.590413506 | 8055.395511 | 238.0 | null | -5.89 | 171.4917165 | 160.6737909 | 46.67379092 | 90.67539688 | 80.22974089 | 23.58542462 | 15.96932146 | 15.96932146 | 9.500154932 | 9.500154932 | 5.593211658 | 5.593211658 | null | null | null | null | 512.6848326 | 61.88955264 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 94.64278148 | 1354.862832 | 0.567010309 | 1.082474227 | 1.628865979 | 0.666666667 | 237.0 | PEPTIDE2094{[dA].[meF].V.[meL].T.[Sar].[meL].L.[Me_Hph].[meL].[Asp_piperidide]}$PEPTIDE2094,PEPTIDE2094,1:R1-11:R2$$$ | PEPTIDE2094{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Hph/">[Me_Hph]</a>.<a href... | -7.96 | 97 | 1240.863 | 2094 | null | null | 1.92e+81 | 16.25706479 | 38.25663499 | 23.92778002 | 735.7175979 | null | 18.22494751 | 0.390716756 | 18.22494751 | 0.247548563 | 2.193672247 | 0.247548563 | -8.240563046 | -0.390716756 | 3.5366 | 370.0503 | 1355.775 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 6 | 25 | 0 | 35 | 0 | 2 | 2 | 540 | pd321 | null | -6.900730647 | 3.142727073 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 111.6567998 | 177.7360829 | 50.4772494 | null | -5.89 | 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)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2ccccc2)N(C)C1=O | 217.7443889 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 218.583822 | 61.34554045 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dA', 'meF', 'V', 'meL', 'T', 'Sar', 'meL', 'L', 'Me_Hph', 'meL', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 0.4292999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.8193999999999995, 1.7483, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 239.3300159 | 70.28029601 | 29.46978843 | 298.7478566 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2094 | null | 307.9 | null | 1037.875324 | 0.0 | 186.5606857 | -13.10663594 | -6.561962839 | -98.55563826 | -104.8225556 | -82.76717841 | -137.1220384 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.140385236 | null |
fc028d297885075b490b79e909989e27b6a62dfb0261c18ebac6c4a98aea791a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,094 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'Me_Hph', 'Abu', 'meF', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 87 | 2095 | -5.51 | -5.51 | Circle | 4 | -2.9e-16 | -2.757962364 | -2.78e-16 | -2.881541461 | -2.33e-17 | -1.135783301 | 1.11e-15 | -0.249287767 | 3.597084474 | 8067.395511 | 184.0 | null | -5.51 | 171.4917165 | 160.6737909 | 46.67379092 | 90.63672175 | 80.25613409 | 23.55903142 | 15.94292826 | 15.94292826 | 9.595101877 | 9.595101877 | 5.587567064 | 5.587567064 | null | null | null | null | 512.877831 | 61.84846912 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 94.64278148 | 1354.862832 | 0.567010309 | 1.082474227 | 1.649484536 | 0.666666667 | 181.0 | PEPTIDE2095{[meA].L.[meL].[Me_Hph].[Abu].[meF].[meL].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2095,PEPTIDE2095,1:R1-11:R2$$$ | PEPTIDE2095{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_Hph/">[Me_Hph]</a>.<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>... | -7.96 | 97 | 1240.863 | 2095 | null | null | 2.7499999999999997e+81 | 16.25706479 | 38.25663499 | 23.358227 | 735.8695127 | null | 18.12958237 | 0.390716756 | 18.12958237 | 0.247548563 | 2.159776651 | 0.247548563 | -8.282527936 | -0.390716756 | 3.6328 | 370.1306 | 1355.775 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 35 | 0 | 2 | 2 | 540 | pd322 | null | -6.549869063 | 3.325020444 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.0912161 | 112.135767 | 186.0826684 | 50.4772494 | null | -5.51 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@@H]1NC(=O)[C@H](CCc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 217.7033053 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 218.1048548 | 68.32136735 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'Me_Hph', 'Abu', 'meF', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.7483, 0.1833, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 70.28029601 | 23.57583074 | 299.6396479 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2095 | null | 299.11 | null | 1038.020584 | 0.0 | 183.5965563 | -9.840067084 | -6.636111456 | -91.42504965 | -105.2335174 | -89.68869887 | -137.2936953 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.160690128 | null |
e21426e45888c9cb7a6d06943ebd235b5336aa72a4d746d85ee36e9f72ab9581 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,095 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'L', 'Me_Hph', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 85 | 2096 | -5.64 | -5.64 | Circle | 2 | -3.45e-16 | -2.757961668 | -3.23e-16 | -2.882709847 | -1.5e-16 | -1.135780174 | 9.1e-16 | -0.249287767 | 3.672956816 | 8296.220022 | 216.0 | null | -5.64 | 176.4917165 | 165.6737909 | 47.67379092 | 93.13672175 | 82.75613409 | 24.05903142 | 16.31792826 | 16.31792826 | 9.720101877 | 9.720101877 | 5.705968763 | 5.705968763 | null | null | null | null | 525.6236808 | 71.44377901 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 90.53050581 | 1382.894132 | 0.535353535 | 1.01010101 | 1.535353535 | 0.675675676 | 206.0 | PEPTIDE2096{[meA].L.[meL].[meF].L.[Me_Hph].[meL].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2096,PEPTIDE2096,1:R1-11:R2$$$ | PEPTIDE2096{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_Hph/">[Me_Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a hr... | -7.96 | 99 | 1264.885 | 2096 | null | null | 6.47e+83 | 16.41601085 | 39.1454176 | 24.42398845 | 754.219279 | null | 18.26592433 | 0.390716756 | 18.26592433 | 0.247548563 | 2.209218751 | 0.247548563 | -8.331737727 | -0.390716756 | 4.2689 | 379.2946 | 1383.829 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 37 | 0 | 2 | 2 | 552 | pd323 | null | -7.27373394 | 3.393929127 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.9431082 | 118.0297247 | 191.5657026 | 50.4772494 | null | -5.64 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O | 223.1863396 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 224.9567469 | 68.32136735 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'L', 'Me_Hph', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.7483, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 70.28029601 | 29.46978843 | 311.9745743 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2096 | null | 299.11 | null | 1079.197919 | 0.0 | 184.7862443 | -10.13415933 | -6.832700978 | -99.69803778 | -107.2741427 | -91.14758852 | -144.8975339 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.148100745 | null |
34f701f8237d34c012b43069b180b2f6e5c401740c786af976549a7e829901c0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,096 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'Me_Hph', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 92 | 2097 | -5.48 | -5.48 | Circle | 7 | -2.92e-16 | -2.757883156 | -2.65e-16 | -2.888172915 | -1.53e-16 | -1.135269848 | 5.91e-16 | -0.249287763 | 3.645559787 | 8310.872315 | 230.0 | null | -5.48 | 177.1988233 | 166.0820392 | 48.08203921 | 93.59382853 | 82.91438238 | 24.21727971 | 16.46643522 | 16.46643522 | 9.677164471 | 9.677164471 | 5.613052617 | 5.613052617 | null | null | null | null | 525.9958015 | 60.47771056 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 101.4965743 | 1398.889046 | 0.6 | 1.12 | 1.65 | 0.675675676 | 229.0 | PEPTIDE2097{[Sar].[meF].I.[meL].T.[Sar].[Me_Hph].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2097,PEPTIDE2097,1:R1-11:R2$$$ | PEPTIDE2097{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/Me_Hph/">[Me_Hph]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser... | -8.0 | 100 | 1280.884 | 2097 | null | null | 5.79e+84 | 16.7923472 | 39.27220417 | 24.9602605 | 759.3328242 | null | 18.07405273 | 0.390716756 | 18.07405273 | 0.247548563 | 2.175427284 | 0.247548563 | -8.312544919 | -0.390716756 | 3.6494 | 380.9496 | 1399.828 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 34 | 0 | 2 | 2 | 558 | pd324 | null | -7.216257216 | 3.721537737 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 121.6122489 | 113.0937014 | 187.453427 | 73.24642081 | null | -5.48 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 227.9232025 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 218.1669804 | 81.37721228 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'Me_Hph', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.7483, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 263.8447558 | 75.01715897 | 23.57583074 | 305.6016494 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2097 | null | 308.34 | null | 1079.639039 | 0.0 | 184.5732139 | -10.25763862 | -13.2616485 | -93.10279182 | -98.42892617 | -82.52069046 | -159.1405569 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.151136929 | null |
d05dfe51f268f4961794b19c970d79a972608a9e4c3e182a6777e490fa00b357 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,097 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(Pr)', 'meF', 'meL', 'Asp_piperidide'] | 87 | 2098 | -5.66 | -5.66 | Circle | 4 | -3.27e-16 | -2.758001348 | -3.09e-16 | -2.888852777 | -1.33e-16 | -1.13576481 | 9.53e-16 | -0.249287767 | 3.665885409 | 8326.42119 | 210.0 | null | -5.66 | 177.1988233 | 166.0820392 | 48.08203921 | 93.63250366 | 82.88798918 | 24.24367291 | 16.27550768 | 16.27550768 | 9.687422624 | 9.687422624 | 5.755757715 | 5.755757715 | null | null | null | null | 525.8028031 | 66.00182831 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 96.01354003 | 1398.889046 | 0.57 | 1.07 | 1.61 | 0.675675676 | 209.0 | PEPTIDE2098{[dV].[meF].L.[meL].T.[Sar].[meL].[Ser(Pr)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2098,PEPTIDE2098,1:R1-11:R2$$$ | PEPTIDE2098{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(Pr)/">[Ser(Pr)]</a>.<a href="/monomers/meF/">[meF]</a>... | -8.0 | 100 | 1280.884 | 2098 | null | null | 2.21e+85 | 16.7923472 | 40.44444444 | 24.9602605 | 759.1809093 | null | 18.2281684 | 0.390716756 | 18.2281684 | 0.247548563 | 2.318113345 | 0.247548563 | -8.250529696 | -0.390716756 | 3.5532 | 380.8693 | 1399.828 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 26 | 0 | 38 | 0 | 2 | 2 | 558 | pd325 | null | -7.729619202 | 3.239644547 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.7950004 | 98.43198274 | 190.6679931 | 62.51926887 | null | -5.66 | null | null | null | null | null | null | null | null | null | null | 4 | CCCOC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 227.964286 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 218.583822 | 74.46351094 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7902] | [['-5.66']] | ['2023_Ohta'] | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Ser(Pr)', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1999, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 252.4479864 | 75.01715897 | 29.46978843 | 304.2308908 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2098 | null | 317.13 | null | 1079.955624 | 0.0 | 188.5057129 | -13.5843457 | -7.024549737 | -99.74833484 | -107.5879324 | -82.438024 | -150.5781504 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.109704226 | null |
b452a8aaa5b614304afdde75d71581c8b5ec76a0f161a48ace95608856a26c7b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,098 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'V', 'meL', 'Ser(Pr)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meA', 'Asp_piperidide'] | 94 | 2099 | -5.48 | -5.48 | Circle | 6 | -3.37e-16 | -2.756986043 | -2.71e-16 | -2.888112301 | -9.33e-17 | -1.135220231 | 1.21e-15 | -0.249287763 | 3.596180616 | 8171.542639 | 220.0 | null | -5.48 | 174.6988233 | 163.5820392 | 47.58203921 | 92.27895027 | 81.68386503 | 23.94779705 | 16.2066939 | 16.2066939 | 9.52314507 | 9.52314507 | 5.534470095 | 5.534470095 | null | null | null | null | 520.0949058 | 52.29424275 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.473725908 | 106.9191674 | 1384.873396 | 0.595959596 | 1.121212121 | 1.646464646 | 0.671232877 | 217.0 | PEPTIDE2099{[dV].[meF].V.[meL].[Ser(Pr)].[Sar].[meL].[Ser(tBu)].[meF].[meA].[Asp_piperidide]}$PEPTIDE2099,PEPTIDE2099,1:R1-11:R2$$$ | PEPTIDE2099{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(Pr)/">[Ser(Pr)]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.0 | 99 | 1268.873 | 2099 | null | null | 2.0399999999999998e+83 | 16.71428571 | 39.11604938 | 24.99049805 | 750.2386674 | null | 17.88731066 | 0.378769565 | 17.88731066 | 0.247492366 | 2.279835421 | 0.247492366 | -8.092934997 | -0.378769565 | 3.5712 | 376.4955 | 1385.801 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 552 | pd326 | null | -6.678439484 | 2.705542209 | 70.32216079 | 60.17892468 | 7.059210392 | 70.88615675 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.0912161 | 100.3478516 | 187.926476 | 69.97004546 | null | -5.48 | null | null | null | null | null | null | null | null | null | null | 4 | CCCOC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O | 226.2215822 | 70.88615675 | 0.0 | 60.84843488 | 23.57583074 | 212.2108971 | 81.02249618 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7959] | [['-5.48']] | ['2023_Ohta'] | ['dV', 'meF', 'V', 'meL', 'Ser(Pr)', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meA', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.4292999999999995, 1.1616, 0.1999, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.1353999999999999, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.9879965 | 79.75402192 | 23.57583074 | 296.9661746 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2099 | null | 306.13 | null | 1060.238537 | 0.0 | 187.2242309 | -16.90807996 | -13.43571984 | -92.07306349 | -105.7548267 | -59.4325853 | -163.6084928 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.141604439 | null |
02d245ec772f771691a3402cfb307d7b823dcb6467ed9965ed01a3f06c6853b7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,099 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Ser(Pr)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | 94 | 2100 | -5.51 | -5.51 | Circle | 5 | -3.21e-16 | -2.757998039 | -2.84e-16 | -2.891771721 | -1.21e-16 | -1.135206258 | 7.64e-16 | -0.249287763 | 3.689510471 | 8447.067276 | 225.0 | null | -5.51 | 180.40593 | 168.9902875 | 48.9902875 | 95.33961044 | 84.29623747 | 24.6519212 | 16.66081804 | 16.66081804 | 9.744819652 | 9.744819652 | 5.747299524 | 5.747299524 | null | null | null | null | 532.5478487 | 64.63106975 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 100.1258157 | 1428.899611 | 0.598039216 | 1.107843137 | 1.62745098 | 0.68 | 213.0 | PEPTIDE2100{[dV].[meF].[Ser(Pr)].[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meL].[Asp_piperidide]}$PEPTIDE2100,PEPTIDE2100,1:R1-11:R2$$$ | PEPTIDE2100{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(Pr)/">[Ser(Pr)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.04 | 102 | 1308.894 | 2100 | null | null | 2.56e+87 | 17.24947549 | 40.71124927 | 26.03219853 | 773.4693377 | null | 18.33046061 | 0.390716756 | 18.33046061 | 0.247548563 | 2.320154108 | 0.247548563 | -8.302687455 | -0.390716756 | 3.3222 | 387.1193 | 1429.854 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 27 | 0 | 36 | 0 | 2 | 2 | 570 | pd327 | null | -8.140954778 | 3.520291613 | 75.43096898 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.0912161 | 106.7207765 | 190.6679931 | 77.42082204 | null | -5.51 | null | null | null | null | null | null | null | null | null | null | 4 | CCCOC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 235.4426661 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 224.6638401 | 81.02249618 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'Ser(Pr)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meL', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.1999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 264.6080224 | 79.75402192 | 23.57583074 | 307.4513751 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2100 | null | 326.36 | null | 1101.846448 | 0.0 | 188.9036293 | -13.67226611 | -13.72951736 | -93.29499375 | -108.0990202 | -75.17684934 | -164.5274304 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.109960588 | null |
a6f8a241edb925b74f87b6f39126ebe2d1682611727f1664f4fed80a255257d4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,100 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(Pr)', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | 90 | 2101 | -5.64 | -5.64 | Circle | 6 | -3.21e-16 | -2.758612741 | -3.13e-16 | -2.892838122 | -1.38e-16 | -1.136011094 | 5.16e-16 | -0.249287767 | 3.685401749 | 8692.142976 | 219.0 | null | -5.64 | 184.6988233 | 173.5820392 | 49.58203921 | 97.34382853 | 86.66438238 | 24.96727971 | 16.74911448 | 16.74911448 | 10.03046216 | 10.03046216 | 5.907058258 | 5.907058258 | null | null | null | null | 545.1145762 | 70.07302045 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 100.1258157 | 1440.935997 | 0.54368932 | 1.019417476 | 1.54368932 | 0.688311688 | 223.0 | PEPTIDE2101{[Mono6].[meL].V.[meF].[meF].[Ser(Pr)].[meL].T.[meL].[meL].[Asp_piperidide]}$PEPTIDE2101,PEPTIDE2101,1:R1-11:R2$$$ | PEPTIDE2101{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(Pr)/">[Ser(Pr)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meL/">[me... | -8.0 | 103 | 1316.917 | 2101 | null | null | 7.28e+88 | 17.03230257 | 42.0788779 | 25.97929796 | 786.8574735 | null | 18.32615812 | 0.390716755 | 18.32615812 | 0.247762917 | 2.33837082 | 0.247762917 | -8.411802333 | -0.390716755 | 4.6756 | 394.7306 | 1441.909 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 39 | 0 | 2 | 2 | 576 | pd328 | null | -8.224317123 | 3.284451411 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 135.7950004 | 104.8049076 | 222.8504316 | 53.28089208 | null | -5.64 | null | null | null | null | null | null | null | null | null | null | 4 | CCCOC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 236.1477539 | 70.88615675 | 1.431199657 | 60.43853126 | 29.46978843 | 231.3296718 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'V', 'meF', 'meF', 'Ser(Pr)', 'meL', 'T', 'meL', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.4292999999999995, 1.3581999999999996, 1.3581999999999996, 0.1999, 1.1616, -0.1918000000000002, 1.1616, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.323723 | 75.01715897 | 29.46978843 | 326.5720505 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2101 | null | 308.34 | null | 1138.475369 | 0.0 | 185.900773 | -10.35853477 | -7.016358898 | -100.7406363 | -108.6249061 | -97.61760955 | -158.7680959 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119460744 | null |
6f7b82355e072602930455e64c6d23e2285722973adcaea6725b4e1c413a2cf9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,101 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'Ser(Pr)', 'meF', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 88 | 2102 | -5.38 | -5.38 | Circle | 4 | -3.34e-16 | -2.757960745 | -3.02e-16 | -2.885546066 | -6.26e-17 | -1.135780136 | 1.01e-15 | -0.249287767 | 3.637869435 | 8215.091514 | 204.0 | null | -5.38 | 174.6988233 | 163.5820392 | 47.58203921 | 92.34382853 | 81.66438238 | 23.96727971 | 16.12411448 | 16.12411448 | 9.66396787 | 9.66396787 | 5.668695903 | 5.668695903 | null | null | null | null | 519.6228766 | 67.33150334 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 91.90126436 | 1384.873396 | 0.575757576 | 1.080808081 | 1.636363636 | 0.671232877 | 201.0 | PEPTIDE2102{[meA].L.[meL].[meF].[Ser(Pr)].[meF].[meL].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2102,PEPTIDE2102,1:R1-11:R2$$$ | PEPTIDE2102{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(Pr)/">[Ser(Pr)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</... | -8.0 | 99 | 1268.873 | 2102 | null | null | 1.56e+81 | 16.71428571 | 39.70204945 | 24.40250692 | 750.1579411 | null | 18.20552533 | 0.390716756 | 18.20552533 | 0.247548563 | 2.335044152 | 0.247548563 | -8.284841881 | -0.390716756 | 3.2593 | 376.3326 | 1385.801 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 37 | 0 | 2 | 2 | 552 | pd329 | null | -7.217668624 | 3.314639048 | 70.2842024 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.0912161 | 99.38991717 | 196.2730614 | 62.51926887 | null | -5.38 | null | null | null | null | null | null | null | null | null | null | 4 | CCCOC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 225.1816854 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 211.7319299 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'Ser(Pr)', 'meF', 'meL', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.1999, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.323723 | 75.01715897 | 23.57583074 | 296.0082401 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2102 | null | 308.34 | null | 1060.062056 | 0.0 | 184.4789332 | -9.932595352 | -7.033149125 | -91.83413511 | -107.0072944 | -81.90909163 | -150.574724 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.133974845 | null |
f1b44178de6f39ad65c77b200d614672a9f8a159420c1bf70cf099ccaee089cc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,102 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(Pr)', 'meL', 'Asp_piperidide'] | 88 | 2103 | -5.74 | -5.74 | Circle | 7 | -3.44e-16 | -2.757834788 | -2.78e-16 | -2.887803207 | -5.84e-17 | -1.135267209 | 7.58e-16 | -0.249287763 | 3.585545192 | 8109.482804 | 209.0 | null | -5.74 | 172.1988233 | 161.0820392 | 47.08203921 | 91.09382853 | 80.41438238 | 23.71727971 | 15.88731108 | 15.88731108 | 9.563633434 | 9.563633434 | 5.584237949 | 5.584237949 | null | null | null | null | 513.2499517 | 49.51164211 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 106.9796085 | 1370.857746 | 0.581632653 | 1.091836735 | 1.612244898 | 0.666666667 | 210.0 | PEPTIDE2103{[Sar].[meF].I.[meL].T.[Sar].[meF].[meL].[Ser(Pr)].[meL].[Asp_piperidide]}$PEPTIDE2103,PEPTIDE2103,1:R1-11:R2$$$ | PEPTIDE2103{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(Pr)/">[Ser(Pr)]</... | -8.0 | 98 | 1256.862 | 2103 | null | null | 1.39e+82 | 16.63726108 | 39.55555556 | 23.88296461 | 740.983058 | null | 17.89841526 | 0.390716756 | 17.89841526 | 0.247548563 | 2.238943197 | 0.247548563 | -8.165963593 | -0.390716756 | 2.8708 | 371.7376 | 1371.774 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 26 | 0 | 36 | 0 | 2 | 2 | 546 | pd330 | null | -6.791342999 | 3.354871734 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.464141 | 86.16510015 | 192.1607858 | 70.38688711 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 4 | CCCOC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C1=O | 222.4401683 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 198.8621453 | 87.93619753 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(Pr)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.1999, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 264.8026902 | 75.01715897 | 23.57583074 | 286.4148309 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2103 | null | 308.34 | null | 1038.896608 | 0.0 | 183.8677827 | -9.976646867 | -6.749242997 | -91.75481411 | -97.86820143 | -80.74287758 | -150.6726075 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.134218635 | null |
463975cd366ff3b298869f180932c66f51beee34d6683f96591f1ac7506509ca | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,103 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Nle(CHF2)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 96 | 2104 | -5.68 | -5.68 | Circle | 1 | -3.05e-16 | -2.757842192 | -2.01e-16 | -2.89000548 | 8.37e-18 | -1.135212167 | 1.36e-15 | -0.249287763 | 3.685457887 | 8437.085685 | 236.0 | null | -5.68 | 179.6988233 | 167.3379682 | 49.33796816 | 94.88250366 | 83.51595365 | 24.87163738 | 16.86504263 | 16.86504263 | 9.888846478 | 9.888846478 | 5.822784311 | 5.822784311 | null | null | null | null | 531.7253323 | 64.63106975 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 97.38429859 | 1448.885853 | 0.621359223 | 1.174757282 | 1.72815534 | 0.68 | 237.0 | PEPTIDE2104{[dV].[meF].[Nle(CHF2)].[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2104,PEPTIDE2104,1:R1-11:R2$$$ | PEPTIDE2104{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Nle(CHF2)/">[Nle(CHF2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/mono... | -8.14 | 103 | 1330.891 | 2104 | null | null | 2.0500000000000002e+86 | 17.93493779 | 40.79082982 | 26.50601349 | 773.8769223 | null | 18.22140556 | 0.390716756 | 18.22140556 | 0.247548563 | 2.36142441 | 0.247548563 | -8.268684289 | -0.390716756 | 4.331 | 385.8643 | 1449.835 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 28 | 0 | 35 | 0 | 2 | 2 | 576 | pd331 | null | -8.670078054 | 3.198423226 | 70.69410603 | 61.54968324 | 7.059210392 | 78.71885279 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 121.6122489 | 106.7207765 | 191.8526913 | 65.37880257 | null | -5.68 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCC(F)F)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 236.7451161 | 70.88615675 | 1.431199657 | 60.84843488 | 23.57583074 | 236.9592941 | 67.9045257 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'Nle(CHF2)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 1.5987999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 8.780830095 | 0.0 | 0.0 | 257.8915483 | 75.01715897 | 23.57583074 | 310.6038157 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2104 | null | 317.13 | null | 1111.30728 | 0.0 | 188.3984352 | -13.9502065 | -13.76665154 | -94.32274764 | -108.7609106 | -97.58368837 | -146.5715102 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.106764579 | null |
10c8c608126c7289d35480ccd03f2b4c479fc6da37a4e2f71474a931938dc511 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,104 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Nle(CHF2)', 'meF', 'meV', 'Asp_piperidide'] | 89 | 2105 | -5.82 | -5.82 | Circle | 4 | -2.7e-16 | -2.757862033 | -2.01e-16 | -2.888621771 | -4.19e-17 | -1.135763331 | 1.15e-15 | -0.249287767 | 3.66368664 | 8316.355881 | 198.0 | null | -5.82 | 176.4917165 | 164.4297199 | 48.42971987 | 93.17539688 | 82.10770536 | 24.46338909 | 16.47973227 | 16.47973227 | 9.831449449 | 9.831449449 | 5.831242502 | 5.831242502 | null | null | null | null | 524.9802867 | 66.00182831 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 93.27202292 | 1418.875288 | 0.574257426 | 1.108910891 | 1.663366337 | 0.675675676 | 207.0 | PEPTIDE2105{[dV].[meF].L.[meL].T.[Sar].[meL].[Nle(CHF2)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2105,PEPTIDE2105,1:R1-11:R2$$$ | PEPTIDE2105{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle(CHF2)/">[Nle(CHF2)]</a>.<a href="/monomers/meF/">[meF]... | -8.1 | 101 | 1302.881 | 2105 | null | null | 1.32e+84 | 17.47369791 | 40.51691605 | 25.43025818 | 759.5884939 | null | 18.15709512 | 0.390716756 | 18.15709512 | 0.247548563 | 2.319429204 | 0.247548563 | -8.29015871 | -0.390716756 | 4.562 | 379.6143 | 1419.809 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 6 | 27 | 0 | 37 | 0 | 2 | 2 | 564 | pd332 | null | -8.331741823 | 2.935680988 | 65.95724307 | 61.54968324 | 7.059210392 | 78.71885279 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 135.3160332 | 98.43198274 | 191.8526913 | 50.4772494 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCC(F)F)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 229.2667361 | 70.88615675 | 1.431199657 | 60.84843488 | 29.46978843 | 230.8792761 | 61.34554045 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['dV', 'meF', 'L', 'meL', 'T', 'Sar', 'meL', 'Nle(CHF2)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.8193999999999995, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 1.5987999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 8.780830095 | 0.0 | 0.0 | 245.7315123 | 70.28029601 | 29.46978843 | 307.3833314 | 60.42418708 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2105 | null | 307.9 | null | 1089.500335 | 0.0 | 187.9364247 | -13.79539143 | -7.071580933 | -100.7778276 | -108.2257671 | -104.8975683 | -132.6686246 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.105300676 | null |
8f6bf962b4a84bc987248b7a01e5e4260abc555a841378f5f709329547446673 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,105 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono6', 'meL', 'I', 'meF', 'meF', 'Nle(CHF2)', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | 92 | 2106 | -5.89 | -5.89 | Circle | 6 | -3.26e-16 | -2.758201811 | -1.99e-16 | -2.886568197 | -8.52e-17 | -1.135266133 | 1.01e-15 | -0.249287763 | 3.645077253 | 8591.624955 | 207.0 | null | -5.89 | 181.4917165 | 169.4297199 | 49.42971987 | 95.63672175 | 84.63409856 | 24.93699589 | 16.70333907 | 16.70333907 | 10.06268558 | 10.06268558 | 5.82300776 | 5.82300776 | null | null | null | null | 537.9191349 | 67.33150334 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 97.38429859 | 1446.906588 | 0.582524272 | 1.106796117 | 1.631067961 | 0.684210526 | 198.0 | PEPTIDE2106{[Mono6].[meL].I.[meF].[meF].[Nle(CHF2)].[meL].T.[meA].[meL].[Asp_piperidide]}$PEPTIDE2106,PEPTIDE2106,1:R1-11:R2$$$ | PEPTIDE2106{<a href="/monomers/Mono6/">[Mono6]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Nle(CHF2)/">[Nle(CHF2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meA/"... | -8.1 | 103 | 1326.903 | 2106 | null | null | 4.8e+86 | 17.6231256 | 42.00418173 | 25.9248944 | 778.090175 | null | 18.38575904 | 0.390716755 | 18.38575904 | 0.247752853 | 2.378917876 | 0.247752853 | -8.37383159 | -0.390716755 | 5.4384 | 388.9286 | 1447.863 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 37 | 0 | 2 | 2 | 576 | pd333 | null | -8.464551868 | 3.015879092 | 65.54733945 | 61.54968324 | 5.647368313 | 78.71885279 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 127.9851738 | 105.7628421 | 221.2936127 | 41.23887261 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCCC(F)F)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 234.7086868 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 243.1461587 | 68.32136735 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Mono6', 'meL', 'I', 'meF', 'meF', 'Nle(CHF2)', 'meL', 'T', 'meA', 'meL', 'Asp_piperidide'] | [0.5270999999999999, 1.1616, 0.8193999999999999, 1.3581999999999996, 1.3581999999999996, 1.5987999999999996, 1.1616, -0.1918000000000002, 0.1353999999999999, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 257.6072489 | 70.28029601 | 23.57583074 | 326.5040067 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2106 | null | 299.11 | null | 1126.812169 | 0.0 | 184.4848446 | -10.47960992 | -7.158617216 | -93.49714084 | -108.68128 | -126.4921556 | -132.4882099 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.109702795 | null |
70e4585c7bdf5b608e5bb287c259d79d8039953c39c3be035b027397c89926da | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,106 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Nle(CHF2)', 'meL', 'meF', 'V', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 90 | 2107 | -5.62 | -5.62 | Circle | 3 | -2.6e-16 | -2.757946072 | -2.12e-16 | -2.88902731 | -2.08e-17 | -1.135216508 | 1.66e-15 | -0.249287763 | 3.643380771 | 8221.033017 | 204.0 | null | -5.62 | 173.9917165 | 161.9297199 | 47.92971987 | 91.88672175 | 80.88409856 | 24.18699589 | 16.32833907 | 16.32833907 | 9.926396395 | 9.926396395 | 5.766397058 | 5.766397058 | null | null | null | null | 518.8003602 | 60.47771056 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 96.01354003 | 1404.859638 | 0.62 | 1.21 | 1.77 | 0.671232877 | 197.0 | PEPTIDE2107{[meA].[Nle(CHF2)].[meL].[meF].V.[meF].[meI].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2107,PEPTIDE2107,1:R1-11:R2$$$ | PEPTIDE2107{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Nle(CHF2)/">[Nle(CHF2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sa... | -8.1 | 100 | 1290.87 | 2107 | null | null | 1.7e+82 | 17.40068711 | 39.77812913 | 23.76693766 | 750.5655257 | null | 18.1747863 | 0.390716756 | 18.1747863 | 0.247548565 | 2.338934946 | 0.247548565 | -8.365380908 | -0.390716756 | 4.2681 | 375.0776 | 1405.782 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 36 | 0 | 2 | 2 | 558 | pd334 | null | -7.761025999 | 2.976524484 | 65.54733945 | 61.54968324 | 5.647368313 | 78.71885279 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 127.9851738 | 93.01699227 | 197.4577596 | 50.4772494 | null | -5.62 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCCC(F)F)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 226.4841354 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 224.027384 | 68.32136735 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7924] | [['-5.57']] | ['2023_Ohta'] | ['meA', 'Nle(CHF2)', 'meL', 'meF', 'V', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 1.5987999999999996, 1.1616, 1.3581999999999996, 0.4292999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 257.6072489 | 70.28029601 | 23.57583074 | 299.1606807 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2107 | null | 299.11 | null | 1070.389696 | 0.0 | 184.0985528 | -10.15444948 | -7.069716168 | -93.68765479 | -107.7743477 | -103.7787275 | -133.2733528 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.130559209 | null |
6095b281ae22a03fca2998e36993b2645c385155ef48611f928e4a3ad019f1f3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,107 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'Nle(CHF2)', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 90 | 2108 | -5.7 | -5.7 | Circle | 6 | -2.85e-16 | -2.757963709 | -2.02e-16 | -2.886614353 | -4.66e-17 | -1.135778101 | 1.17e-15 | -0.249287767 | 3.676813428 | 8344.355881 | 215.0 | null | -5.7 | 176.4917165 | 164.4297199 | 48.42971987 | 93.13672175 | 82.13409856 | 24.43699589 | 16.45333907 | 16.45333907 | 9.932994695 | 9.932994695 | 5.80338154 | 5.80338154 | null | null | null | null | 525.1732851 | 70.07302045 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 89.15974725 | 1418.875288 | 0.603960396 | 1.168316832 | 1.732673267 | 0.675675676 | 212.0 | PEPTIDE2108{[meA].L.[meL].[meF].[Nle(CHF2)].[meF].[meI].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2108,PEPTIDE2108,1:R1-11:R2$$$ | PEPTIDE2108{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Nle(CHF2)/">[Nle(CHF2)]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sa... | -8.1 | 101 | 1302.881 | 2108 | null | null | 1.36e+84 | 17.47369791 | 40.51691605 | 24.84533794 | 759.7404088 | null | 18.24249463 | 0.390716756 | 18.24249463 | 0.247548565 | 2.394734852 | 0.247548565 | -8.37056681 | -0.390716756 | 4.6582 | 379.6946 | 1419.809 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 37 | 0 | 2 | 2 | 564 | pd335 | null | -8.079179435 | 3.088982847 | 65.54733945 | 61.54968324 | 5.647368313 | 78.71885279 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 127.9851738 | 99.38991717 | 200.1992768 | 50.4772494 | null | -5.7 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCC(F)F)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 229.2256525 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 230.4003089 | 68.32136735 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'Nle(CHF2)', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 1.5987999999999996, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 257.6072489 | 70.28029601 | 23.57583074 | 308.2751227 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2108 | null | 299.11 | null | 1090.512986 | 0.0 | 184.5277837 | -10.27986788 | -7.224854306 | -93.69721996 | -108.8651925 | -112.0207981 | -132.9528371 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.119826982 | null |
f091334a0c28fc021c9d2ef0f7577361b7286a5be3c0170e773742878e1a0522 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,108 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Pr_Gly', 'meF', 'Nle(CHF2)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meV', 'Asp_piperidide'] | 100 | 2109 | -5.6 | -5.6 | Circle | 9 | -3.04e-16 | -2.758050768 | -1.77e-16 | -2.888981838 | -3.93e-17 | -1.135205801 | 1.15e-15 | -0.249287763 | 3.679525619 | 8450.59546 | 215.0 | null | -5.6 | 179.6988233 | 167.3379682 | 49.33796816 | 94.84382853 | 83.54234685 | 24.84524418 | 16.71364943 | 16.71364943 | 9.814360687 | 9.814360687 | 5.763673348 | 5.763673348 | null | null | null | null | 531.9183306 | 54.99467634 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 106.9796085 | 1448.885853 | 0.650485437 | 1.213592233 | 1.766990291 | 0.68 | 236.0 | PEPTIDE2109{[Pr_Gly].[meF].[Nle(CHF2)].[meL].T.[Sar].[meF].[meL].[Ser(tBu)].[meV].[Asp_piperidide]}$PEPTIDE2109,PEPTIDE2109,1:R1-11:R2$$$ | PEPTIDE2109{<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Nle(CHF2)/">[Nle(CHF2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monome... | -8.14 | 103 | 1330.891 | 2109 | null | null | 2.21e+86 | 17.93493779 | 41.37622461 | 26.81537144 | 774.0288371 | null | 17.99497977 | 0.390716756 | 17.99497977 | 0.247548563 | 2.323748205 | 0.247548563 | -8.270593649 | -0.390716756 | 4.4288 | 385.9666 | 1449.835 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 28 | 0 | 35 | 0 | 2 | 2 | 576 | pd336 | null | -8.172287891 | 3.343593557 | 70.2842024 | 55.53179077 | 5.647368313 | 78.71885279 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 114.7603568 | 107.1997437 | 198.349551 | 73.24642081 | null | -5.6 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCC(F)F)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC1=O | 236.7040326 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 230.4624344 | 80.89824507 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Pr_Gly', 'meF', 'Nle(CHF2)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meV', 'Asp_piperidide'] | [0.5271000000000001, 1.3581999999999996, 1.5987999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.5883999999999996, 0.7715000000000001, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 269.767285 | 75.01715897 | 17.68187306 | 311.495607 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2109 | null | 308.34 | null | 1109.946403 | 0.0 | 184.9194889 | -10.53809433 | -13.66036424 | -87.04608965 | -100.2534864 | -104.0815854 | -154.5362715 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.114688474 | null |
58f5747cdbdd90f389a5605a812453cd3886602b6a801d14bf1d6a5a165de6c8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,109 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Nle(CHF2)', 'meL', 'Asp_piperidide'] | 90 | 2110 | -5.7 | -5.7 | Circle | 2 | -2.82e-16 | -2.758024856 | -1.86e-16 | -2.886552061 | -3.65e-17 | -1.135274674 | 1.35e-15 | -0.249287763 | 3.616382469 | 8222.542792 | 206.0 | null | -5.7 | 173.9917165 | 161.9297199 | 47.92971987 | 91.88672175 | 80.88409856 | 24.18699589 | 16.21653567 | 16.21653567 | 9.71425856 | 9.71425856 | 5.668756368 | 5.668756368 | null | null | null | null | 518.8003602 | 52.25315922 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 104.2380914 | 1404.859638 | 0.58 | 1.08 | 1.59 | 0.671232877 | 198.0 | PEPTIDE2110{[Sar].[meF].I.[meL].T.[Sar].[meF].[meL].[Nle(CHF2)].[meL].[Asp_piperidide]}$PEPTIDE2110,PEPTIDE2110,1:R1-11:R2$$$ | PEPTIDE2110{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle(CHF2)/">[Nle(CHF2... | -8.1 | 100 | 1290.87 | 2110 | null | null | 9.64e+82 | 17.40068711 | 40.37005744 | 24.90599603 | 750.5655257 | null | 17.93069008 | 0.390716756 | 17.93069008 | 0.247548563 | 2.25721526 | 0.247548563 | -8.38769494 | -0.390716756 | 4.2697 | 375.0996 | 1405.782 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 27 | 0 | 36 | 0 | 2 | 2 | 558 | pd337 | null | -7.76752993 | 3.094056271 | 65.54733945 | 55.53179077 | 5.647368313 | 78.71885279 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 127.9851738 | 92.53802505 | 196.0870011 | 58.34486764 | null | -5.7 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCCC(F)F)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 226.4841354 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 217.5305243 | 74.81822704 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meF', 'meL', 'Nle(CHF2)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 1.5987999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 258.0862161 | 70.28029601 | 23.57583074 | 298.6817135 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2110 | null | 299.11 | null | 1068.274651 | 0.0 | 183.7514103 | -10.31448052 | -6.82753039 | -92.90030067 | -99.10989391 | -111.5203924 | -132.6034639 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.123027038 | null |
555ca44ef7981b4b0b4b58461de552466b048ce32a03b86e84dda885cce25a77 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,110 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'Nle(CHF2)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(isoamyl)', 'meL', 'Asp_piperidide'] | 101 | 2111 | -5.74 | -5.74 | Circle | 6 | -3.06e-16 | -2.757846194 | -2.44e-16 | -2.884801513 | -1.04e-16 | -1.146388997 | 1.52e-15 | -0.249291001 | 3.632722851 | 8478.144335 | 240.0 | null | -5.74 | 179.6988233 | 167.3379682 | 49.33796816 | 94.84382853 | 83.54234685 | 24.84524418 | 16.52272189 | 16.52272189 | 9.727222853 | 9.727222853 | 5.663597327 | 5.663597327 | null | null | null | null | 531.9183306 | 59.106952 | 66.3152763 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 102.8673328 | 1448.885853 | 0.572815534 | 1.058252427 | 1.572815534 | 0.68 | 237.0 | PEPTIDE2111{[Sar].[meF].[Nle(CHF2)].[meL].T.[Sar].[meF].[meL].[Ser(isoamyl)].[meL].[Asp_piperidide]}$PEPTIDE2111,PEPTIDE2111,1:R1-11:R2$$$ | PEPTIDE2111{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Nle(CHF2)/">[Nle(CHF2)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser... | -8.14 | 103 | 1330.891 | 2111 | null | null | 8.25e+85 | 17.93493779 | 42.58546171 | 27.45055898 | 774.0288371 | null | 18.00728696 | 0.390716756 | 18.00728696 | 0.247548563 | 2.298885804 | 0.247548563 | -8.304961658 | -0.390716756 | 4.2863 | 385.9186 | 1449.835 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 28 | 0 | 39 | 0 | 2 | 2 | 576 | pd338 | null | -8.603259981 | 3.043578496 | 70.2842024 | 55.53179077 | 5.647368313 | 78.71885279 | 0.0 | 0.0 | 57.53444621 | 8.780830095 | 0.0 | 0.0 | 121.6122489 | 98.91094995 | 202.6459863 | 70.38688711 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)CCOC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCCC(F)F)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)N(C)C1=O | 236.7040326 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 217.5305243 | 87.93619753 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'Nle(CHF2)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(isoamyl)', 'meL', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 1.5987999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.8359999999999994, 1.1616, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 8.780830095 | 0.0 | 0.0 | 271.2041866 | 75.01715897 | 23.57583074 | 304.1647477 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2111 | null | 308.34 | null | 1106.49521 | 0.0 | 184.1004197 | -10.42173336 | -6.900376892 | -91.90241632 | -99.65982945 | -110.8930915 | -146.0681821 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.102857594 | null |
d7f6c4240dad20ba9c59d769389b6280e78aab8dc3618a3f29f8028fe64f1cf5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,111 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meL', 'Ser(Ph(2-Cl))', 'meA', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 100 | 2112 | -5.59 | -5.59 | Circle | 1 | -2.21e-16 | -2.757924682 | -2.32e-16 | -2.890971808 | -5.74e-18 | -1.135216186 | 1.76e-15 | -0.249287763 | 3.560614622 | 7962.192477 | 211.0 | null | -5.59 | 170.40593 | 158.368252 | 48.12418092 | 90.35563021 | 78.9852197 | 24.21886791 | 16.32686235 | 16.70482683 | 9.604948681 | 9.871082592 | 5.554091676 | 5.687158631 | null | null | null | null | 506.0363637 | 55.03575986 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 113.7221014 | 1406.798039 | 0.656565657 | 1.262626263 | 1.848484848 | 0.661971831 | 214.0 | PEPTIDE2112{[dV].[meL].[Ser(Ph(2-Cl))].[meA].T.[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2112,PEPTIDE2112,1:R1-11:R2$$$ | PEPTIDE2112{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(Ph(2-Cl))/">[Ser(Ph(2-Cl))]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a hre... | -7.91 | 99 | 1296.303 | 2112 | null | null | 2.19e+81 | 17.57660147 | 38.04722195 | 24.16419015 | 745.668101 | null | 18.14688667 | 0.489322493 | 18.14688667 | 0.248624684 | 1.936952094 | 0.248624684 | -8.120248162 | -0.489322493 | 3.0151 | 373.8673 | 1408.191 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 28 | 0 | 32 | 0 | 2 | 2 | 552 | pd339 | null | -8.036056658 | 3.693771142 | 75.43096898 | 72.48742176 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 108.7130078 | 107.3482047 | 169.5115316 | 71.77219444 | null | -5.59 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COc2ccccc2Cl)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 223.1058391 | 82.48709664 | 1.431199657 | 60.84843488 | 23.57583074 | 205.5450654 | 74.46351094 | 64.96785317 | 0 | 5.749511833 | null | null | null | null | ['dV', 'meL', 'Ser(Ph(2-Cl))', 'meA', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.1616, 1.5056999999999992, 0.1353999999999999, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.28592972 | 0.0 | 5.749511833 | 11.60093989 | 258.0490372 | 68.64423406 | 23.57583074 | 276.8052468 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2112 | null | 326.36 | null | 1014.867372 | 6.114153219 | 186.2935147 | -15.29489614 | -10.10136648 | -94.2415782 | -100.6278073 | -53.72880114 | -156.9194793 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.149339606 | null |
06c1345a7a64070b2453922ce04b66a73ee7f3f28a7470b66cceaf0163c707e8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,112 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'Ser(Ph(2-Cl))', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meA', 'meL', 'Asp_piperidide'] | 100 | 2113 | -5.92 | -5.92 | Circle | 4 | -1.94e-16 | -2.757690098 | -2.06e-16 | -2.888649439 | -2.85e-17 | -1.135207756 | 1.8e-15 | -0.249287763 | 3.48869635 | 7856.929046 | 243.0 | null | -5.92 | 167.90593 | 155.868252 | 47.62418092 | 89.10563021 | 77.7352197 | 23.96886791 | 16.07686235 | 16.45482683 | 9.374743582 | 9.640877494 | 5.400290873 | 5.533357828 | null | null | null | null | 499.6634388 | 48.18196708 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 117.8343771 | 1392.782388 | 0.653061224 | 1.204081633 | 1.775510204 | 0.657142857 | 246.0 | PEPTIDE2113{[dA].[meF].[Ser(Ph(2-Cl))].[meL].T.[Sar].[meL].[Ser(tBu)].[meA].[meL].[Asp_piperidide]}$PEPTIDE2113,PEPTIDE2113,1:R1-11:R2$$$ | PEPTIDE2113{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(Ph(2-Cl))/">[Ser(Ph(2-Cl))]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a hre... | -7.91 | 98 | 1284.292 | 2113 | null | null | 6.39e+78 | 17.50833537 | 37.88225085 | 24.22011612 | 736.4932178 | null | 17.64286681 | 0.489322493 | 17.64286681 | 0.24863475 | 1.938786668 | 0.24863475 | -7.982759669 | -0.489322493 | 2.7691 | 369.3203 | 1394.164 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 6 | 28 | 0 | 31 | 0 | 2 | 2 | 546 | pd340 | null | -7.588189115 | 3.611943201 | 75.43096898 | 72.48742176 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 95.00922355 | 114.6790641 | 166.7700145 | 71.77219444 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COc2ccccc2Cl)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 220.364322 | 82.48709664 | 1.431199657 | 60.84843488 | 17.68187306 | 205.0660981 | 74.46351094 | 64.96785317 | 0 | 5.749511833 | [['Caco2']] | [7863] | [['-5.92']] | ['2023_Ohta'] | ['dA', 'meF', 'Ser(Ph(2-Cl))', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meA', 'meL', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 1.5056999999999992, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 0.1353999999999999, 1.1616, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.28592972 | 0.0 | 5.749511833 | 11.60093989 | 258.0490372 | 68.64423406 | 17.68187306 | 273.5847625 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2113 | null | 326.36 | null | 991.7847054 | 6.163378118 | 184.9111609 | -14.88999042 | -9.743526264 | -85.39078129 | -98.52708631 | -60.20988549 | -148.9868635 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.149390119 | null |
fd315157696c2be0efc7cdd10387ad1fdfc098577f5b99a7e8503312ad8c8ca8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,113 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meA', 'Ser(Ph(2-Cl))', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 94 | 2114 | -5.85 | -5.85 | Circle | 9 | -2.45e-16 | -2.75796254 | -2.1e-16 | -2.888302921 | 3.86e-17 | -1.135786595 | 1.31e-15 | -0.249287767 | 3.527354846 | 7870.597358 | 227.0 | null | -5.85 | 167.1988233 | 155.4600037 | 47.21593263 | 88.60984829 | 77.60336462 | 23.78422642 | 15.91515879 | 16.29312326 | 9.649096898 | 9.915230809 | 5.534688905 | 5.66775586 | null | null | null | null | 499.4843165 | 56.36543489 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 109.6098258 | 1376.787474 | 0.639175258 | 1.237113402 | 1.845360825 | 0.657142857 | 225.0 | PEPTIDE2114{[meA].L.[meL].[meA].[Ser(Ph(2-Cl))].[meF].[meI].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2114,PEPTIDE2114,1:R1-11:R2$$$ | PEPTIDE2114{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Ser(Ph(2-Cl))/">[Ser(Ph(2-Cl))]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/S... | -7.87 | 97 | 1268.293 | 2114 | null | null | 2.62e+79 | 17.11266858 | 37.74916366 | 22.58764017 | 731.5315875 | null | 18.04137366 | 0.489322493 | 18.04137366 | 0.248645826 | 1.957002239 | 0.248645826 | -8.046075692 | -0.489322493 | 3.3423 | 367.6976 | 1378.165 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 27 | 0 | 34 | 0 | 2 | 2 | 540 | pd341 | null | -7.334550074 | 3.552124627 | 70.2842024 | 72.48742176 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 115.0859327 | 100.0173454 | 177.8581171 | 56.87064127 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](COc2ccccc2Cl)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 215.5863755 | 82.48709664 | 1.431199657 | 60.43853126 | 23.57583074 | 198.9860801 | 74.8803526 | 64.96785317 | 0 | 5.749511833 | null | null | null | null | ['meA', 'L', 'meL', 'meA', 'Ser(Ph(2-Cl))', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 0.1353999999999999, 1.5056999999999992, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 25.97611637 | 0.0 | 5.749511833 | 11.60093989 | 257.7647378 | 63.90737111 | 23.57583074 | 274.4765538 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2114 | null | 308.34 | null | 992.5125258 | 6.165367065 | 182.6222159 | -11.85381518 | -3.39848061 | -93.49595398 | -99.84825757 | -67.46681559 | -143.6256747 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.170972442 | null |
be2522da23c5368638df7e352c56ba8083841f3481a7ba02a11a6e522790ab0b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,114 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Ser(Ph(3-Cl))', 'meA', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 100 | 2115 | -5.72 | -5.72 | Circle | 4 | -2.4e-16 | -2.757834566 | -1.88e-16 | -2.890555925 | 5.26e-17 | -1.134205313 | 2.79e-15 | -0.249272089 | 3.00218689 | 8272.459126 | 223.0 | null | -5.72 | 170.3700316 | 157.868252 | 49.62418092 | 91.28105669 | 78.9852197 | 25.21886791 | 16.95186235 | 17.32982683 | 10.06637284 | 10.25535508 | 5.866591676 | 5.999658631 | null | null | null | null | 522.2141668 | 57.77727697 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 108.2390672 | 1440.782388 | 0.647058824 | 1.264705882 | 1.852941176 | 0.594594595 | 226.0 | PEPTIDE2115{[dV].[meF].[Ser(Ph(3-Cl))].[meA].T.[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2115,PEPTIDE2115,1:R1-11:R2$$$ | PEPTIDE2115{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(Ph(3-Cl))/">[Ser(Ph(3-Cl))]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a hre... | -8.69 | 102 | 1332.336 | 2115 | null | null | 4.61e+81 | 18.68035534 | 38.54247894 | 23.9572043 | 758.8204278 | null | 18.17438348 | 0.490835754 | 18.17438348 | 0.248624673 | 1.856466089 | 0.248624673 | -8.089010062 | -0.490835754 | 3.2117 | 384.5583 | 1442.208 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 15 | 6 | 28 | 0 | 30 | 0 | 2 | 2 | 562 | pd342 | null | -7.784585446 | 4.530948769 | 75.43096898 | 72.48742176 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 119.1788984 | 106.6871924 | 171.3117799 | 73.60335391 | null | -5.72 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COc2cccc(Cl)c2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 220.364322 | 82.48709664 | 1.431199657 | 60.84843488 | 17.68187306 | 191.8412811 | 74.46351094 | 100.7433982 | 0 | 5.749511833 | [['Caco2'], ['Caco2']] | [2012, 7913] | [['-5.72'], ['-5.72']] | ['2018_CHUGAI', '2023_Ohta'] | ['dV', 'meF', 'Ser(Ph(3-Cl))', 'meA', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 1.5056999999999992, 0.1353999999999999, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.28592972 | 0.0 | 5.749511833 | 11.60093989 | 258.0490372 | 75.01715897 | 17.68187306 | 259.5504721 | 84.59386191 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2012 | null | 326.36 | null | 1002.905618 | 6.010239031 | 187.3759374 | -14.54374047 | -13.35511054 | -86.45598178 | -112.7164409 | -52.84113154 | -143.7682779 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.127293532 | null |
3675ba3927cfaebaf46da070f8084d4d1cdef1528f401d1884439ae6e5402e56 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,115 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'meF', 'Ser(Ph(3-Cl))', 'meV', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 100 | 2116 | -5.66 | -5.66 | Circle | 2 | -2.08e-16 | -2.757547423 | -1.61e-16 | -2.893042565 | 4.63e-17 | -1.134220589 | 2.78e-15 | -0.249272142 | 2.993387506 | 8272.459126 | 231.0 | null | -5.66 | 170.3700316 | 157.868252 | 49.62418092 | 91.28105669 | 78.9852197 | 25.21886791 | 16.95186235 | 17.32982683 | 10.06637284 | 10.25535508 | 5.922493375 | 6.055560331 | null | null | null | null | 522.2141668 | 53.6650013 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 112.3513429 | 1440.782388 | 0.647058824 | 1.225490196 | 1.794117647 | 0.594594595 | 230.0 | PEPTIDE2116{[dA].[meF].[Ser(Ph(3-Cl))].[meV].T.[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2116,PEPTIDE2116,1:R1-11:R2$$$ | PEPTIDE2116{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(Ph(3-Cl))/">[Ser(Ph(3-Cl))]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a hre... | -8.69 | 102 | 1332.336 | 2116 | null | null | 4.16e+81 | 18.68035534 | 38.54247894 | 23.9572043 | 758.8204278 | null | 18.11474118 | 0.490835754 | 18.11474118 | 0.248644196 | 1.877934284 | 0.248644196 | -8.062747278 | -0.490835754 | 3.2117 | 384.5583 | 1442.208 | Circle | 11 | 11 | null | 6 | 27 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 15 | 6 | 28 | 0 | 30 | 0 | 2 | 2 | 562 | pd343 | null | -7.805454558 | 4.486827175 | 75.43096898 | 72.48742176 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 119.1788984 | 106.6871924 | 171.3117799 | 73.60335391 | null | -5.66 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COc2cccc(Cl)c2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 220.364322 | 82.48709664 | 1.431199657 | 60.84843488 | 17.68187306 | 191.8412811 | 74.46351094 | 100.7433982 | 0 | 5.749511833 | [['Caco2']] | [2010] | [['-5.66']] | ['2018_CHUGAI'] | ['dA', 'meF', 'Ser(Ph(3-Cl))', 'meV', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [-0.2068000000000003, 1.3581999999999996, 1.5056999999999992, 0.7715000000000001, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 31.28592972 | 0.0 | 5.749511833 | 11.60093989 | 258.0490372 | 75.01715897 | 17.68187306 | 259.5504721 | 84.59386191 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2010 | null | 326.36 | null | 1002.642971 | 6.018264179 | 187.2204283 | -14.47644706 | -13.28780403 | -86.3815982 | -112.5770034 | -52.5435534 | -144.004146 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.127293532 | null |
0d7ae0e5f884373f2fc7a6986ea122e50d34f4c872bc37a19af2541b2cf317d9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,116 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Ser(Ph(3-Cl))', 'meL', 'meF', 'A', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 94 | 2117 | -5.89 | -5.89 | Circle | 5 | -1.97e-16 | -2.75791014 | -1.55e-16 | -2.886015354 | 9.2e-17 | -1.135208241 | 2.17e-15 | -0.249287763 | 2.977313273 | 8180.159126 | 217.0 | null | -5.89 | 167.1629249 | 154.9600037 | 48.71593263 | 89.53527477 | 77.60336462 | 24.78422642 | 16.54015879 | 16.91812326 | 10.11052106 | 10.2995033 | 5.875139754 | 6.00820671 | null | null | null | null | 515.6621196 | 52.25315922 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 110.9805843 | 1410.771824 | 0.64 | 1.26 | 1.85 | 0.589041096 | 214.0 | PEPTIDE2117{[meA].[Ser(Ph(3-Cl))].[meL].[meF].A.[meF].[meI].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2117,PEPTIDE2117,1:R1-11:R2$$$ | PEPTIDE2117{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Ser(Ph(3-Cl))/">[Ser(Ph(3-Cl))]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/S... | -8.65 | 100 | 1304.326 | 2117 | null | null | 4.85e+79 | 18.21203382 | 38.23489863 | 22.42625399 | 744.6839143 | null | 18.00513296 | 0.490835754 | 18.00513296 | 0.248634855 | 1.900006464 | 0.248634855 | -7.98580659 | -0.490835754 | 3.5389 | 378.3886 | 1412.182 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 27 | 0 | 32 | 0 | 2 | 2 | 550 | pd344 | null | -7.046708558 | 4.329281562 | 70.2842024 | 72.48742176 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 125.5518233 | 99.35633302 | 179.6583654 | 58.70180074 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COc2cccc(Cl)c2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 212.8448584 | 82.48709664 | 1.431199657 | 60.43853126 | 17.68187306 | 185.2822959 | 74.8803526 | 100.7433982 | 0 | 5.749511833 | [['Caco2']] | [2013] | [['-5.89']] | ['2018_CHUGAI'] | ['meA', 'Ser(Ph(3-Cl))', 'meL', 'meF', 'A', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 1.5056999999999992, 1.1616, 1.3581999999999996, -0.2068000000000003, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 25.97611637 | 0.0 | 5.749511833 | 11.60093989 | 257.7647378 | 70.28029601 | 17.68187306 | 257.2217791 | 84.59386191 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2013 | null | 308.34 | null | 980.9535005 | 6.012807417 | 183.7550977 | -11.19074917 | -6.674120009 | -85.8206147 | -112.0971175 | -66.55161049 | -130.5260827 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.145500076 | null |
a417a8c980f06a8d3127076a52ae271bdf18e05c2a9bd181542d60814214ceb1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,117 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'V', 'meL', 'meF', 'Ser(Ph(3-Cl))', 'meF', 'meI', 'T', 'Sar', 'meA', 'Asp_piperidide'] | 94 | 2118 | -5.74 | -5.74 | Circle | 7 | -1.89e-16 | -2.757017335 | -1.35e-16 | -2.889495115 | 1.52e-16 | -1.134059123 | 2.65e-15 | -0.249284424 | 2.977967325 | 8057.054136 | 217.0 | null | -5.74 | 164.6629249 | 152.4600037 | 48.21593263 | 88.28527477 | 76.35336462 | 24.53422642 | 16.41515879 | 16.79312326 | 10.10392276 | 10.292905 | 5.810204423 | 5.943271378 | null | null | null | null | 509.2891947 | 56.36543489 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 104.1267915 | 1396.756174 | 0.646464646 | 1.252525253 | 1.838383838 | 0.583333333 | 213.0 | PEPTIDE2118{[meA].V.[meL].[meF].[Ser(Ph(3-Cl))].[meF].[meI].T.[Sar].[meA].[Asp_piperidide]}$PEPTIDE2118,PEPTIDE2118,1:R1-11:R2$$$ | PEPTIDE2118{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Ser(Ph(3-Cl))/">[Ser(Ph(3-Cl))]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/S... | -8.65 | 99 | 1292.315 | 2118 | null | null | 1.6000000000000002e+78 | 18.15034108 | 37.51434603 | 21.92145859 | 735.5090312 | null | 18.14929716 | 0.490835754 | 18.14929716 | 0.248645817 | 1.927135281 | 0.248645817 | -8.096000112 | -0.490835754 | 3.1488 | 373.7716 | 1398.155 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 5 | 27 | 0 | 31 | 0 | 2 | 2 | 544 | pd345 | null | -6.918733998 | 4.330078088 | 70.2842024 | 72.48742176 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 125.5518233 | 92.98340812 | 176.9168483 | 58.70180074 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COc2cccc(Cl)c2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 210.1033413 | 82.48709664 | 1.431199657 | 60.43853126 | 17.68187306 | 178.909371 | 74.8803526 | 100.7433982 | 0 | 5.749511833 | [['Caco2']] | [2011] | [['-5.74']] | ['2018_CHUGAI'] | ['meA', 'V', 'meL', 'meF', 'Ser(Ph(3-Cl))', 'meF', 'meI', 'T', 'Sar', 'meA', 'Asp_piperidide'] | [0.1353999999999999, 0.4292999999999995, 1.1616, 1.3581999999999996, 1.5056999999999992, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 0.1353999999999999, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 25.97611637 | 0.0 | 5.749511833 | 11.60093989 | 257.7647378 | 70.28029601 | 17.68187306 | 248.1073371 | 84.59386191 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2011 | null | 308.34 | null | 962.6577459 | 6.070445967 | 183.2449681 | -11.13148874 | -6.793422042 | -85.84408751 | -112.4515828 | -58.89962942 | -130.2418384 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.155007505 | null |
b8299be9873f1abf0f36bc871fe50244fed03a8325c74f7e2a2ba9945501229d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,118 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Mono49', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 93 | 2119 | -5.62 | -5.62 | Circle | 1 | -2.44e-16 | -2.757836203 | -1.93e-16 | -2.892356048 | 3.54e-17 | -1.135204558 | 1.89e-15 | -0.249287763 | 3.09082459 | 8720.7638 | 211.0 | null | -5.62 | 179.4997882 | 166.8154656 | 50.81546557 | 95.83751657 | 83.4324333 | 25.78811703 | 17.56021048 | 17.56021048 | 10.34576416 | 10.34576416 | 6.110698215 | 6.110698215 | null | null | null | null | 542.7189882 | 61.88955264 | 61.92486126 | 0 | 0 | 0 | 0 | 0 | 0 | 19.56651262 | 97.38429859 | 1481.869788 | 0.632075472 | 1.198113208 | 1.764150943 | 0.623376623 | 189.0 | PEPTIDE2119{[dV].[meF].[Mono49].[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2119,PEPTIDE2119,1:R1-11:R2$$$ | PEPTIDE2119{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono49/">[Mono49]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers/m... | -8.96 | 106 | 1365.921 | 2119 | null | null | 1.27e+86 | 19.00095936 | 40.674419 | 25.64381214 | 787.1969069 | null | 18.24204993 | 0.390716756 | 18.24204993 | 0.247548563 | 2.267585675 | 0.247548563 | -8.160755121 | -0.390716756 | 3.2564 | 395.2433 | 1482.849 | Circle | 11 | 11 | null | 6 | 28 | null | null | 0 | 2 | 2 | 2 | 1 | 3 | 16 | 6 | 29 | 0 | 34 | 0 | 2 | 2 | 586 | pd346 | null | -8.292617515 | 4.967173896 | 75.43096898 | 65.99614552 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 62.51842473 | 4.390415048 | 0.0 | 0.0 | 115.239324 | 105.5807969 | 180.6865932 | 94.26497816 | null | -5.62 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCc2cncc(F)c2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 234.3500469 | 70.88615675 | 1.431199657 | 65.8324134 | 23.57583074 | 211.6250834 | 74.46351094 | 101.3199715 | 0 | 0.0 | [['Caco2']] | [2005] | [['-5.62']] | ['2018_CHUGAI'] | ['dV', 'meF', 'Mono49', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 0.5241999999999993, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 51.22, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 4.390415048 | 0.0 | 0.0 | 263.0330157 | 86.31300716 | 29.39305158 | 287.9340505 | 78.81239621 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2005 | null | 339.25 | null | 1087.032246 | 0.0 | 191.9225389 | -13.44106185 | -16.54914459 | -96.0345039 | -110.117502 | -66.1983104 | -158.7809291 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.106452564 | null |
6c5677c2f53048593c1bfbd4abfe61339b0effa74d1a00de74e3fcd6b0a9bd5a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,119 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meV', 'Mono49', 'meL', 'meF', 'L', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 87 | 2120 | -5.96 | -5.96 | Circle | 5 | -2.35e-16 | -2.758398049 | -1.99e-16 | -2.889120261 | 3.55e-17 | -1.135209699 | 1.63e-15 | -0.249287763 | 3.15172784 | 8858.323094 | 236.0 | null | -5.96 | 181.2926814 | 168.9072173 | 50.90721728 | 96.59173465 | 84.55057821 | 25.85347554 | 17.52350691 | 17.52350691 | 10.62671577 | 10.62671577 | 6.310031579 | 6.310031579 | null | null | null | null | 548.9127908 | 71.44377901 | 61.92486126 | 0 | 0 | 0 | 0 | 0 | 0 | 14.82964967 | 90.53050581 | 1479.890524 | 0.613207547 | 1.188679245 | 1.783018868 | 0.628205128 | 234.0 | PEPTIDE2120{[meV].[Mono49].[meL].[meF].L.[meF].[meI].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2120,PEPTIDE2120,1:R1-11:R2$$$ | PEPTIDE2120{<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/Mono49/">[Mono49]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>... | -8.92 | 106 | 1361.933 | 2120 | null | null | 8.26e+87 | 18.67197649 | 41.26636799 | 24.56771746 | 791.4101597 | null | 18.43528819 | 0.390716756 | 18.43528819 | 0.247548565 | 2.323596736 | 0.247548565 | -8.385616674 | -0.390716756 | 4.2197 | 398.2376 | 1480.877 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 1 | 3 | 15 | 5 | 28 | 0 | 38 | 0 | 2 | 2 | 586 | pd347 | null | -8.310409957 | 4.928250359 | 70.2842024 | 65.99614552 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 62.51842473 | 4.390415048 | 0.0 | 0.0 | 135.3160332 | 97.29200313 | 194.5162128 | 79.36342499 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](COCc2cncc(F)c2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 232.3136176 | 70.88615675 | 1.431199657 | 65.42250978 | 29.46978843 | 211.9179903 | 74.8803526 | 101.3199715 | 0 | 0.0 | [['Caco2']] | [2006] | [['-5.96']] | ['2018_CHUGAI'] | ['meV', 'Mono49', 'meL', 'meF', 'L', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.7715000000000001, 0.5241999999999993, 1.1616, 1.3581999999999996, 0.8193999999999995, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 51.22, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 4.390415048 | 0.0 | 0.0 | 262.7487163 | 81.57614421 | 35.28700927 | 297.9402838 | 78.81239621 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2006 | null | 321.23 | null | 1107.97933 | 0.0 | 189.7778267 | -10.27160732 | -10.15046295 | -104.5947499 | -111.9591388 | -81.50975659 | -153.6881074 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 9 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.112227035 | null |
9cd70eba600bb3947e940a9726121b8b1f827ab58efd8db0fa23e93861e609b5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,120 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'L', 'meL', 'meF', 'Mono50', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 87 | 2121 | -5.96 | -5.96 | Circle | 1 | -2.55e-16 | -2.757962952 | -1.18e-16 | -2.889764866 | 8.04e-17 | -1.135778077 | 2.19e-15 | -0.249287767 | 3.64502259 | 8256.193558 | 199.0 | null | -5.96 | 174.6988233 | 161.0938971 | 49.0938971 | 92.34382853 | 80.42031132 | 24.72320865 | 16.83391833 | 16.83391833 | 10.09686951 | 10.09686951 | 5.796014796 | 5.796014796 | null | null | null | null | 518.7220851 | 60.47771056 | 75.0961064 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1456.835709 | 0.631067961 | 1.184466019 | 1.737864078 | 0.671232877 | 200.0 | PEPTIDE2121{[meA].L.[meL].[meF].[Mono50].[meF].[meI].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2121,PEPTIDE2121,1:R1-11:R2$$$ | PEPTIDE2121{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono50/">[Mono50]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>... | -8.28 | 103 | 1344.865 | 2121 | null | null | 2.5999999999999996e+83 | 18.91588004 | 40.11592757 | 24.68391604 | 761.2002007 | null | 18.13305019 | 0.390716756 | 18.13305019 | 0.32966257 | 2.397645842 | 0.32966257 | -8.365011254 | -0.390716756 | 3.7497 | 376.9926 | 1457.761 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 30 | 0 | 37 | 0 | 2 | 2 | 576 | pd348 | null | -9.5874594 | 1.607397816 | 70.2842024 | 68.10866848 | 5.647368313 | 72.31735641 | 0.0 | 12.32402555 | 57.53444621 | 8.780830095 | 8.780830095 | 0.0 | 121.6122489 | 86.64406737 | 182.8602834 | 62.51926887 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCC(F)(F)C(F)F)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 237.2603114 | 70.88615675 | 1.431199657 | 60.43853126 | 23.57583074 | 210.8311384 | 81.43933784 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['meA', 'L', 'meL', 'meF', 'Mono50', 'meF', 'meI', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.6902999999999999, 1.3581999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 17.56166019 | 0.0 | 0.0 | 276.6477486 | 75.01715897 | 23.57583074 | 277.3003889 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2121 | null | 308.34 | null | 1084.64692 | 0.0 | 183.3515079 | -10.33889056 | -7.229731306 | -101.7333581 | -108.7922842 | -83.55709512 | -148.0970688 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 4 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.125270483 | null |
2cb32048fd1774976bce968a0bf8ea1aaa52c976b17c607a96cf4bfb75270d9b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,121 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Pr_Gly', 'meF', 'Mono50', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | 97 | 2122 | -5.74 | -5.74 | Circle | 5 | -2.5e-16 | -2.758206093 | -1.61e-16 | -2.888449921 | 4.82e-17 | -1.13521215 | 1.83e-15 | -0.249287763 | 3.683658039 | 8485.878127 | 233.0 | null | -5.74 | 180.40593 | 166.5021454 | 50.50214539 | 95.30093531 | 83.07855962 | 25.38145694 | 17.21922869 | 17.21922869 | 9.984833798 | 9.984833798 | 5.765340237 | 5.765340237 | null | null | null | null | 531.8400556 | 61.84846912 | 75.0961064 | 0 | 0 | 0 | 0 | 0 | 0 | 14.5825341 | 97.38429859 | 1500.861924 | 0.622641509 | 1.113207547 | 1.603773585 | 0.68 | 233.0 | PEPTIDE2122{[Pr_Gly].[meF].[Mono50].[meL].T.[Sar].[meF].[meL].[Ser(tBu)].[meL].[Asp_piperidide]}$PEPTIDE2122,PEPTIDE2122,1:R1-11:R2$$$ | PEPTIDE2122{<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Mono50/">[Mono50]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser... | -8.32 | 106 | 1384.886 | 2122 | null | null | 8.9e+85 | 19.44649251 | 41.7041342 | 27.16818176 | 784.6635122 | null | 18.07486122 | 0.390716756 | 18.07486122 | 0.32966257 | 2.339963297 | 0.32966257 | -8.409534733 | -0.390716756 | 3.9104 | 387.8816 | 1501.814 | Circle | 11 | 11 | null | 5 | 27 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 15 | 5 | 31 | 0 | 36 | 0 | 2 | 2 | 594 | pd349 | null | -10.14509975 | 2.068830082 | 75.02106536 | 62.09077601 | 5.647368313 | 72.31735641 | 0.0 | 12.32402555 | 57.53444621 | 8.780830095 | 8.780830095 | 0.0 | 108.3874319 | 100.8268188 | 183.7520748 | 85.28844028 | null | -5.74 | null | null | null | null | null | null | null | null | null | null | 4 | CCCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COCC(F)(F)C(F)F)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC1=O | 247.4802085 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 217.2661889 | 94.01621555 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['Pr_Gly', 'meF', 'Mono50', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meL', 'Asp_piperidide'] | [0.5271000000000001, 1.3581999999999996, 0.6902999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.5883999999999996, 1.1616, 0.1758999999999995] | [20.31, 20.31, 38.33, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 17.56166019 | 0.0 | 0.0 | 288.8077846 | 79.75402192 | 17.68187306 | 289.6353152 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2122 | null | 317.57 | null | 1124.040137 | 0.0 | 184.1827894 | -10.73431161 | -13.74682117 | -95.08355391 | -100.780161 | -84.08028753 | -169.5477914 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 4 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.110717294 | null |
cefe9df33b321c4650c13f0aa284782c4bbaf22f96f56963ea9a3f77fe98a73b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,122 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meA', 'Hph(2-Cl)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 96 | 2123 | -5.77 | -5.77 | Circle | 6 | -2.53e-16 | -2.757833897 | -2.3e-16 | -2.888959528 | -6.38e-17 | -1.1352063 | 1.55e-15 | -0.249287763 | 3.579802988 | 8060.693393 | 210.0 | null | -5.77 | 172.1988233 | 160.4600037 | 48.21593263 | 91.13250366 | 80.07697141 | 24.31061962 | 16.41861406 | 16.79657854 | 9.692690337 | 9.976163692 | 5.618637324 | 5.760374001 | null | null | null | null | 512.0371679 | 57.77727697 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 108.9852385 | 1404.818774 | 0.666666667 | 1.282828283 | 1.888888889 | 0.666666667 | 201.0 | PEPTIDE2123{[dV].[meA].[Hph(2-Cl)].[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2123,PEPTIDE2123,1:R1-11:R2$$$ | PEPTIDE2123{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Hph(2-Cl)/">[Hph(2-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/mono... | -7.71 | 99 | 1292.315 | 2123 | null | null | 4.41e+81 | 17.31991714 | 38.19156797 | 24.270817 | 749.7294388 | null | 18.12950172 | 0.390716756 | 18.12950172 | 0.247548563 | 2.03213728 | 0.247548563 | -8.111044563 | -0.390716756 | 3.5689 | 376.6933 | 1406.219 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 27 | 0 | 32 | 0 | 2 | 2 | 552 | pd350 | null | -7.784995333 | 4.020993884 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 114.7554265 | 119.6150873 | 180.0171991 | 64.00804401 | null | -5.77 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCc2ccccc2Cl)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 221.1104933 | 82.48709664 | 1.431199657 | 60.84843488 | 23.57583074 | 218.2909152 | 67.9045257 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['dV', 'meA', 'Hph(2-Cl)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 0.1353999999999999, 2.0595, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.60093989 | 251.4900519 | 75.01715897 | 23.57583074 | 291.4831403 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2123 | null | 317.13 | null | 1031.295545 | 6.183667108 | 186.7347515 | -15.60852129 | -13.08635026 | -91.80277195 | -101.6706842 | -67.16662399 | -150.7679006 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.148638764 | null |
e6b9876341afacb4f68cb5270b8b279ea180e6115067889811c945388af6ef54 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,123 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meA', 'Hph(2-Cl)', 'meL', 'T', 'Sar', 'meL', 'L', 'meF', 'meV', 'Asp_piperidide'] | 89 | 2124 | -5.72 | -5.72 | Circle | 7 | -2.92e-16 | -2.757866773 | -2.3e-16 | -2.8867708 | -4.22e-17 | -1.135680514 | 9.6e-16 | -0.249287767 | 3.554233094 | 7940.792438 | 220.0 | null | -5.72 | 168.9917165 | 157.5517554 | 47.30768434 | 89.42539688 | 78.66872312 | 23.90237133 | 16.0333037 | 16.41126817 | 9.635293309 | 9.918766664 | 5.627095515 | 5.768832192 | null | null | null | null | 505.2921223 | 59.14803553 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 104.8729628 | 1374.808209 | 0.618556701 | 1.216494845 | 1.824742268 | 0.661971831 | 212.0 | PEPTIDE2124{[dV].[meA].[Hph(2-Cl)].[meL].T.[Sar].[meL].L.[meF].[meV].[Asp_piperidide]}$PEPTIDE2124,PEPTIDE2124,1:R1-11:R2$$$ | PEPTIDE2124{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Hph(2-Cl)/">[Hph(2-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]... | -7.67 | 97 | 1264.305 | 2124 | null | null | 2.15e+80 | 16.85818726 | 37.89478021 | 23.23318044 | 735.4410105 | null | 18.05907665 | 0.390716756 | 18.05907665 | 0.247548563 | 2.023180344 | 0.247548563 | -8.057919563 | -0.390716756 | 3.7999 | 370.4433 | 1376.193 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 6 | 26 | 0 | 34 | 0 | 2 | 2 | 540 | pd351 | null | -7.427311049 | 3.762681698 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.4592107 | 111.3262936 | 180.0171991 | 49.10649085 | null | -5.72 | 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)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2ccccc2Cl)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 213.6321132 | 82.48709664 | 1.431199657 | 60.84843488 | 29.46978843 | 212.2108971 | 61.34554045 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['dV', 'meA', 'Hph(2-Cl)', 'meL', 'T', 'Sar', 'meL', 'L', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 0.1353999999999999, 2.0595, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.8193999999999995, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.60093989 | 239.3300159 | 70.28029601 | 29.46978843 | 288.262656 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2124 | null | 307.9 | null | 1009.525502 | 6.180912066 | 186.3221839 | -15.4959758 | -6.43987346 | -98.22884641 | -101.1621726 | -74.41161184 | -136.9290067 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.148108756 | null |
02e1129bf47bc931f575796850e9235901df06c649363ba486883913280feb51 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,125 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Hph(2-Cl)', 'meL', 'meL', 'A', 'meF', 'meV', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 90 | 2126 | -5.85 | -5.85 | Circle | 1 | -2.25e-16 | -2.757928344 | -2.14e-16 | -2.884209155 | -5.16e-17 | -1.136012823 | 1.72e-15 | -0.249287767 | 3.526115945 | 7830.136799 | 216.0 | null | -5.85 | 166.4917165 | 155.0517554 | 46.80768434 | 88.13672175 | 77.44511632 | 23.62597813 | 15.8819105 | 16.25987497 | 9.611838555 | 9.89531191 | 5.567984553 | 5.70972123 | null | null | null | null | 499.1121958 | 52.25315922 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 108.9852385 | 1360.792559 | 0.625 | 1.21875 | 1.8125 | 0.657142857 | 213.0 | PEPTIDE2126{[meA].[Hph(2-Cl)].[meL].[meL].A.[meF].[meV].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2126,PEPTIDE2126,1:R1-11:R2$$$ | PEPTIDE2126{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Hph(2-Cl)/">[Hph(2-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sa... | -7.67 | 96 | 1252.294 | 2126 | null | null | 3.06e+78 | 16.78584346 | 37.16809624 | 22.18411895 | 726.4180422 | null | 17.94793979 | 0.390716756 | 17.94793979 | 0.247548565 | 2.053848759 | 0.247548565 | -8.184071145 | -0.390716756 | 3.506 | 365.9066 | 1362.166 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 534 | pd353 | null | -6.936295719 | 3.752469061 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 114.7554265 | 112.284228 | 185.6222675 | 49.10649085 | null | -5.85 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCc2ccccc2Cl)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 210.8495126 | 82.48709664 | 1.431199657 | 60.43853126 | 23.57583074 | 205.359005 | 68.32136735 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['meA', 'Hph(2-Cl)', 'meL', 'meL', 'A', 'meF', 'meV', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 2.0595, 1.1616, 1.1616, -0.2068000000000003, 1.3581999999999996, 0.7715000000000001, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.60093989 | 251.2057525 | 70.28029601 | 23.57583074 | 280.0400053 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2126 | null | 299.11 | null | 989.6204995 | 6.199725038 | 182.4824318 | -11.99428914 | -6.350310107 | -90.48405264 | -100.2043536 | -74.20094405 | -136.9575956 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.181252407 | null |
b19fa91cb76428056b1d3f05c029f00413e5d1de5c5cc1f3848f7565bcdb1e34 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,126 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meL', 'meL', 'Hph(2-Cl)', 'meV', 'Asp_piperidide'] | 90 | 2127 | -5.82 | -5.82 | Circle | 7 | -2.97e-16 | -2.757761715 | -2.16e-16 | -2.887284496 | -8.51e-17 | -1.136012058 | 1.17e-15 | -0.249287767 | 3.589840114 | 8075.66475 | 205.0 | null | -5.82 | 171.4917165 | 160.0517554 | 47.80768434 | 90.63672175 | 79.94511632 | 24.12597813 | 16.1451071 | 16.52307157 | 9.754905819 | 10.03837917 | 5.683345515 | 5.825082192 | null | null | null | null | 511.8580456 | 54.99467634 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 111.7267556 | 1388.823859 | 0.612244898 | 1.183673469 | 1.765306122 | 0.666666667 | 199.0 | PEPTIDE2127{[Sar].[meF].I.[meL].T.[Sar].[meL].[meL].[Hph(2-Cl)].[meV].[Asp_piperidide]}$PEPTIDE2127,PEPTIDE2127,1:R1-11:R2$$$ | PEPTIDE2127{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph(2-Cl)/">[Hph(2-Cl... | -7.67 | 98 | 1276.316 | 2127 | null | null | 4.3099999999999995e+81 | 16.9317529 | 38.62493534 | 23.2194997 | 744.7678085 | null | 17.9749862 | 0.390716756 | 17.9749862 | 0.247548563 | 2.102942478 | 0.247548563 | -8.205750718 | -0.390716756 | 4.1437 | 375.0926 | 1390.22 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 26 | 0 | 35 | 0 | 2 | 2 | 546 | pd354 | null | -7.524459264 | 4.003657965 | 65.54733945 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 134.8321356 | 104.4744014 | 189.7345432 | 56.97410909 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CCc2ccccc2Cl)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 216.3325468 | 82.48709664 | 1.431199657 | 60.43853126 | 29.46978843 | 205.7140374 | 74.81822704 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meL', 'meL', 'Hph(2-Cl)', 'meV', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 1.1616, 2.0595, 0.7715000000000001, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.60093989 | 251.6847197 | 70.28029601 | 29.46978843 | 291.8959645 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2127 | null | 299.11 | null | 1029.916586 | 6.219132511 | 183.7623168 | -12.52485214 | -6.408940104 | -99.35096909 | -94.29301898 | -81.68672215 | -145.022422 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.158127335 | null |
fe25cef9c0aac09a4cd1034b97e200d7cc0ef8477a3a16820e14cbc098774705 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,127 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meA', 'Hph(3-Cl)', 'meL', 'T', 'Sar', 'meL', 'L', 'meF', 'meV', 'Asp_piperidide'] | 89 | 2128 | -5.64 | -5.64 | Circle | 5 | -2.65e-16 | -2.757866815 | -2.19e-16 | -2.886776386 | -1.4e-16 | -1.135680515 | 1.18e-15 | -0.249287767 | 3.554233094 | 7940.792438 | 229.0 | null | -5.64 | 168.9917165 | 157.5517554 | 47.30768434 | 89.42539688 | 78.66872312 | 23.90237133 | 16.0333037 | 16.41126817 | 9.58804775 | 9.777029986 | 5.627095515 | 5.768832192 | null | null | null | null | 505.2921223 | 59.14803553 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 104.8729628 | 1374.808209 | 0.618556701 | 1.226804124 | 1.835051546 | 0.661971831 | 227.0 | PEPTIDE2128{[dV].[meA].[Hph(3-Cl)].[meL].T.[Sar].[meL].L.[meF].[meV].[Asp_piperidide]}$PEPTIDE2128,PEPTIDE2128,1:R1-11:R2$$$ | PEPTIDE2128{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Hph(3-Cl)/">[Hph(3-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]... | -7.67 | 97 | 1264.305 | 2128 | null | null | 2.38e+80 | 16.85818726 | 37.89478021 | 23.51170317 | 735.4410105 | null | 18.05892042 | 0.390716756 | 18.05892042 | 0.247548563 | 1.979970468 | 0.247548563 | -8.058098636 | -0.390716756 | 3.7999 | 370.4433 | 1376.193 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 6 | 26 | 0 | 34 | 0 | 2 | 2 | 540 | pd355 | null | -7.432176816 | 3.706039258 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.416792 | 117.3687123 | 180.0171991 | 49.10649085 | null | -5.64 | 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)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2cccc(Cl)c2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 213.6321132 | 82.48709664 | 1.431199657 | 60.84843488 | 29.46978843 | 212.2108971 | 61.34554045 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['dV', 'meA', 'Hph(3-Cl)', 'meL', 'T', 'Sar', 'meL', 'L', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 0.1353999999999999, 2.0595, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.8193999999999995, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.60093989 | 239.3300159 | 70.28029601 | 29.46978843 | 288.262656 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2128 | null | 307.9 | null | 1009.796625 | 6.008295419 | 186.3066816 | -15.15823675 | -6.483204324 | -98.24407171 | -101.4782663 | -74.44634737 | -136.9403641 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.148108756 | null |
ae267ad54036f7cfa1b08dd97f9401d9afdafb62632c5e46e5d235975c7f5ec1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,128 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Hph(3-Cl)', 'meL', 'meL', 'A', 'meF', 'meV', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 90 | 2129 | -5.92 | -5.92 | Circle | 3 | -2.29e-16 | -2.757928633 | -2.35e-16 | -2.884210696 | -3.31e-17 | -1.136012829 | 1.32e-15 | -0.249287767 | 3.526115945 | 7830.136799 | 226.0 | null | -5.92 | 166.4917165 | 155.0517554 | 46.80768434 | 88.13672175 | 77.44511632 | 23.62597813 | 15.8819105 | 16.25987497 | 9.564592996 | 9.753575232 | 5.567984553 | 5.70972123 | null | null | null | null | 499.1121958 | 52.25315922 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 108.9852385 | 1360.792559 | 0.625 | 1.229166667 | 1.822916667 | 0.657142857 | 221.0 | PEPTIDE2129{[meA].[Hph(3-Cl)].[meL].[meL].A.[meF].[meV].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2129,PEPTIDE2129,1:R1-11:R2$$$ | PEPTIDE2129{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Hph(3-Cl)/">[Hph(3-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sa... | -7.67 | 96 | 1252.294 | 2129 | null | null | 1.6200000000000001e+78 | 16.78584346 | 37.16809624 | 22.45006538 | 726.4180422 | null | 17.94676644 | 0.390716756 | 17.94676644 | 0.247548565 | 2.010638882 | 0.247548565 | -8.186156193 | -0.390716756 | 3.506 | 365.9066 | 1362.166 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 534 | pd356 | null | -6.941155188 | 3.695617048 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 108.7130078 | 118.3266467 | 185.6222675 | 49.10649085 | null | -5.92 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCc2cccc(Cl)c2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 210.8495126 | 82.48709664 | 1.431199657 | 60.43853126 | 23.57583074 | 205.359005 | 68.32136735 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['meA', 'Hph(3-Cl)', 'meL', 'meL', 'A', 'meF', 'meV', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 2.0595, 1.1616, 1.1616, -0.2068000000000003, 1.3581999999999996, 0.7715000000000001, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.60093989 | 251.2057525 | 70.28029601 | 23.57583074 | 280.0400053 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2129 | null | 299.11 | null | 989.8959244 | 6.024189464 | 182.4656265 | -11.64823133 | -6.393726585 | -90.49917116 | -100.527538 | -74.23664378 | -136.9693183 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.181252407 | null |
2328d9e5662a0a85cb41278e6d4b22b8fcc0009a19ad9ded954d7a75b0a11656 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,129 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meL', 'Hph(3-Cl)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meV', 'Asp_piperidide'] | 97 | 2130 | -5.89 | -5.89 | Circle | 4 | -2.64e-16 | -2.757754774 | -2.32e-16 | -2.888675218 | -9.23e-17 | -1.135212706 | 1.42e-15 | -0.249287763 | 3.603707758 | 8179.837079 | 217.0 | null | -5.89 | 174.6988233 | 162.9600037 | 48.71593263 | 92.34382853 | 81.35336462 | 24.53422642 | 16.53041746 | 16.90838193 | 9.646655589 | 9.835637826 | 5.652670956 | 5.794407633 | null | null | null | null | 518.6030912 | 56.36543489 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 113.0975141 | 1418.834424 | 0.63 | 1.18 | 1.74 | 0.671232877 | 220.0 | PEPTIDE2130{[Sar].[meL].[Hph(3-Cl)].[meL].T.[Sar].[meF].[meL].[Ser(tBu)].[meV].[Asp_piperidide]}$PEPTIDE2130,PEPTIDE2130,1:R1-11:R2$$$ | PEPTIDE2130{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph(3-Cl)/">[Hph(3-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser... | -7.71 | 100 | 1304.326 | 2130 | null | null | 2.91e+83 | 17.39257233 | 38.91535171 | 25.11786309 | 759.0562368 | null | 17.96309541 | 0.390716756 | 17.96309541 | 0.247548563 | 2.030155509 | 0.247548563 | -8.190575799 | -0.390716756 | 3.9127 | 381.3426 | 1420.246 | Circle | 11 | 11 | null | 5 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 5 | 27 | 0 | 33 | 0 | 2 | 2 | 558 | pd357 | null | -7.92542919 | 4.206618236 | 70.2842024 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 108.7130078 | 125.1785388 | 189.7345432 | 71.87566226 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](CCc2cccc(Cl)c2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N1C | 223.8109268 | 82.48709664 | 1.431199657 | 60.43853126 | 23.57583074 | 211.7940555 | 81.37721228 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['Sar', 'meL', 'Hph(3-Cl)', 'meL', 'T', 'Sar', 'meF', 'meL', 'Ser(tBu)', 'meV', 'Asp_piperidide'] | [-0.2531000000000001, 1.1616, 2.0595, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.3581999999999996, 1.1616, 0.5883999999999996, 0.7715000000000001, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 38.33, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.60093989 | 263.8447558 | 75.01715897 | 23.57583074 | 295.1164488 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2130 | null | 308.34 | null | 1051.080546 | 6.029290929 | 184.0263671 | -12.25058079 | -13.13621322 | -92.12529818 | -94.9758504 | -74.9504353 | -158.3367146 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.15928036 | null |
349777d8d6414153b993e88321f68ea216010a1221eb702a676d33a4236a5c9e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,130 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meL', 'meL', 'Hph(3-Cl)', 'meV', 'Asp_piperidide'] | 90 | 2131 | -5.96 | -5.96 | Circle | 7 | -3.04e-16 | -2.757763274 | -2.55e-16 | -2.88728769 | -4.5e-17 | -1.136012065 | 1.13e-15 | -0.249287767 | 3.589840114 | 8075.66475 | 203.0 | null | -5.96 | 171.4917165 | 160.0517554 | 47.80768434 | 90.63672175 | 79.94511632 | 24.12597813 | 16.1451071 | 16.52307157 | 9.70766026 | 9.896642496 | 5.683345515 | 5.825082192 | null | null | null | null | 511.8580456 | 54.99467634 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 111.7267556 | 1388.823859 | 0.612244898 | 1.193877551 | 1.775510204 | 0.666666667 | 199.0 | PEPTIDE2131{[Sar].[meF].I.[meL].T.[Sar].[meL].[meL].[Hph(3-Cl)].[meV].[Asp_piperidide]}$PEPTIDE2131,PEPTIDE2131,1:R1-11:R2$$$ | PEPTIDE2131{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph(3-Cl)/">[Hph(3-Cl... | -7.67 | 98 | 1276.316 | 2131 | null | null | 4.72e+81 | 16.9317529 | 38.62493534 | 23.49456097 | 744.7678085 | null | 17.97207125 | 0.390716756 | 17.97207125 | 0.247548563 | 2.059732601 | 0.247548563 | -8.207835766 | -0.390716756 | 4.1437 | 375.0926 | 1390.22 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 26 | 0 | 35 | 0 | 2 | 2 | 546 | pd358 | null | -7.528646617 | 3.946697525 | 65.54733945 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.7897169 | 110.5168202 | 189.7345432 | 56.97410909 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CCc2cccc(Cl)c2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 216.3325468 | 82.48709664 | 1.431199657 | 60.43853126 | 29.46978843 | 205.7140374 | 74.81822704 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meL', 'meL', 'Hph(3-Cl)', 'meV', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 1.1616, 2.0595, 0.7715000000000001, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.60093989 | 251.6847197 | 70.28029601 | 29.46978843 | 291.8959645 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2131 | null | 299.11 | null | 1030.197748 | 6.03991891 | 183.7455685 | -12.16867806 | -6.452329054 | -99.36753502 | -94.62614536 | -81.72242726 | -145.0350091 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.158127335 | null |
60163e5d374b795c5d7309523a489dbea7c73496b6c2016d4b2dcae898eb389e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,131 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meA', 'Hph(4-Cl)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | 96 | 2132 | -5.96 | -5.96 | Circle | 6 | -2.54e-16 | -2.757833948 | -2.16e-16 | -2.88896393 | -4.86e-17 | -1.135206308 | 9.78e-16 | -0.249287763 | 3.579802988 | 8060.693393 | 233.0 | null | -5.96 | 172.1988233 | 160.4600037 | 48.21593263 | 91.13250366 | 80.07697141 | 24.31061962 | 16.41861406 | 16.79657854 | 9.645444778 | 9.834427015 | 5.595014544 | 5.689505662 | null | null | null | null | 512.0371679 | 57.77727697 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 108.9852385 | 1404.818774 | 0.656565657 | 1.272727273 | 1.858585859 | 0.666666667 | 229.0 | PEPTIDE2132{[dV].[meA].[Hph(4-Cl)].[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meV].[Asp_piperidide]}$PEPTIDE2132,PEPTIDE2132,1:R1-11:R2$$$ | PEPTIDE2132{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Hph(4-Cl)/">[Hph(4-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/mono... | -7.71 | 99 | 1292.315 | 2132 | null | null | 1.62e+82 | 17.31991714 | 38.19156797 | 24.55840045 | 749.7294388 | null | 18.12920838 | 0.390716756 | 18.12920838 | 0.247548563 | 1.865470613 | 0.247548563 | -8.111379864 | -0.390716756 | 3.5689 | 376.6933 | 1406.219 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 14 | 6 | 27 | 0 | 32 | 0 | 2 | 2 | 552 | pd359 | null | -7.760924236 | 4.005928146 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 108.7130078 | 125.657506 | 180.0171991 | 64.00804401 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCc2ccc(Cl)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 221.1104933 | 82.48709664 | 1.431199657 | 60.84843488 | 23.57583074 | 218.2909152 | 67.9045257 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['dV', 'meA', 'Hph(4-Cl)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 0.1353999999999999, 2.0594999999999994, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.60093989 | 251.4900519 | 75.01715897 | 23.57583074 | 291.4831403 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2132 | null | 317.13 | null | 1031.745613 | 5.900937581 | 186.7073858 | -14.99915242 | -13.15001671 | -91.82921883 | -102.2540565 | -67.22161458 | -150.7887663 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.148638764 | null |
e637ee013b3789f791c55e5cfad298aabe6d2ea82b73a7dc6b3b5e5983d04601 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,132 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meA', 'Hph(4-Cl)', 'meL', 'T', 'Sar', 'meL', 'L', 'meF', 'meV', 'Asp_piperidide'] | 89 | 2133 | -5.8 | -5.8 | Circle | 3 | -2.88e-16 | -2.757866825 | -2.27e-16 | -2.886776904 | -1.3e-17 | -1.135680514 | 1.04e-15 | -0.249287767 | 3.554233094 | 7940.792438 | 213.0 | null | -5.8 | 168.9917165 | 157.5517554 | 47.30768434 | 89.42539688 | 78.66872312 | 23.90237133 | 16.0333037 | 16.41126817 | 9.58804775 | 9.777029986 | 5.603472736 | 5.697963854 | null | null | null | null | 505.2921223 | 59.14803553 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 104.8729628 | 1374.808209 | 0.608247423 | 1.206185567 | 1.793814433 | 0.661971831 | 197.0 | PEPTIDE2133{[dV].[meA].[Hph(4-Cl)].[meL].T.[Sar].[meL].L.[meF].[meV].[Asp_piperidide]}$PEPTIDE2133,PEPTIDE2133,1:R1-11:R2$$$ | PEPTIDE2133{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Hph(4-Cl)/">[Hph(4-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]... | -7.67 | 97 | 1264.305 | 2133 | null | null | 9.06e+79 | 16.85818726 | 37.89478021 | 23.51170317 | 735.4410105 | null | 18.05878331 | 0.390716756 | 18.05878331 | 0.247548563 | 1.856513677 | 0.247548563 | -8.058254864 | -0.390716756 | 3.7999 | 370.4433 | 1376.193 | Circle | 11 | 11 | null | 6 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 6 | 26 | 0 | 34 | 0 | 2 | 2 | 540 | pd360 | null | -7.40378578 | 3.747787086 | 65.95724307 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 122.416792 | 117.3687123 | 180.0171991 | 49.10649085 | null | -5.8 | 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)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCc2ccc(Cl)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 213.6321132 | 82.48709664 | 1.431199657 | 60.84843488 | 29.46978843 | 212.2108971 | 61.34554045 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['dV', 'meA', 'Hph(4-Cl)', 'meL', 'T', 'Sar', 'meL', 'L', 'meF', 'meV', 'Asp_piperidide'] | [0.4292999999999995, 0.1353999999999999, 2.0594999999999994, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.8193999999999995, 1.3581999999999996, 0.7715000000000001, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 11.60093989 | 239.3300159 | 70.28029601 | 29.46978843 | 288.262656 | 54.38176837 | 12.08184371 | 0.0 | 0 | 2018_CHUGAI | 2133 | null | 307.9 | null | 1009.975061 | 5.898569074 | 186.2948182 | -14.88789285 | -6.503311622 | -98.25555139 | -101.744259 | -74.46689578 | -136.9494269 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.148108756 | null |
acc2ce335e0a27c97f072e90f34dee7a7df27d8ac5eb803b40d89fd8f663b4b2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,133 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Hph(4-Cl)', 'meL', 'meL', 'A', 'meF', 'meV', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 90 | 2134 | -5.96 | -5.96 | Circle | 8 | -2.29e-16 | -2.757928671 | -2.09e-16 | -2.884210829 | 9.86e-18 | -1.13601283 | 1.3e-15 | -0.249287767 | 3.526115945 | 7830.136799 | 228.0 | null | -5.96 | 166.4917165 | 155.0517554 | 46.80768434 | 88.13672175 | 77.44511632 | 23.62597813 | 15.8819105 | 16.25987497 | 9.564592996 | 9.753575232 | 5.544361773 | 5.638852891 | null | null | null | null | 499.1121958 | 48.14088355 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 113.0975141 | 1360.792559 | 0.614583333 | 1.208333333 | 1.78125 | 0.657142857 | 219.0 | PEPTIDE2134{[meA].[Hph(4-Cl)].[meL].[meL].A.[meF].[meV].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2134,PEPTIDE2134,1:R1-11:R2$$$ | PEPTIDE2134{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Hph(4-Cl)/">[Hph(4-Cl)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sa... | -7.67 | 96 | 1252.294 | 2134 | null | null | 2.7600000000000002e+78 | 16.78584346 | 37.16809624 | 22.45006538 | 726.4180422 | null | 17.9458533 | 0.390716756 | 17.9458533 | 0.247548565 | 1.887182092 | 0.247548565 | -8.187698892 | -0.390716756 | 3.506 | 365.9066 | 1362.166 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 26 | 0 | 33 | 0 | 2 | 2 | 534 | pd361 | null | -6.911649014 | 3.706688935 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 108.7130078 | 118.3266467 | 185.6222675 | 49.10649085 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCc2ccc(Cl)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 210.8495126 | 82.48709664 | 1.431199657 | 60.43853126 | 23.57583074 | 205.359005 | 68.32136735 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['meA', 'Hph(4-Cl)', 'meL', 'meL', 'A', 'meF', 'meV', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 2.0594999999999994, 1.1616, 1.1616, -0.2068000000000003, 1.3581999999999996, 0.7715000000000001, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.60093989 | 251.2057525 | 70.28029601 | 23.57583074 | 280.0400053 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2134 | null | 299.11 | null | 990.0778264 | 5.912118414 | 182.4527404 | -11.37119649 | -6.413905659 | -90.51055805 | -100.7992889 | -74.2579524 | -136.9786726 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.181252407 | null |
af98ea79dabe35609c854061d5dcc6153f14e6a2ef7d441c544bd07dfcb1f97b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,134 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meL', 'meL', 'Hph(4-Cl)', 'meV', 'Asp_piperidide'] | 90 | 2135 | -6.0 | -6 | Circle | 9 | -2.42e-16 | -2.757763537 | -2.3e-16 | -2.887287983 | -3.34e-17 | -1.136012065 | 1.11e-15 | -0.249287767 | 3.589840114 | 8075.66475 | 242.0 | null | -6.0 | 171.4917165 | 160.0517554 | 47.80768434 | 90.63672175 | 79.94511632 | 24.12597813 | 16.1451071 | 16.52307157 | 9.70766026 | 9.896642496 | 5.659722736 | 5.754213854 | null | null | null | null | 511.8580456 | 54.99467634 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 111.7267556 | 1388.823859 | 0.602040816 | 1.173469388 | 1.734693878 | 0.666666667 | 234.0 | PEPTIDE2135{[Sar].[meF].I.[meL].T.[Sar].[meL].[meL].[Hph(4-Cl)].[meV].[Asp_piperidide]}$PEPTIDE2135,PEPTIDE2135,1:R1-11:R2$$$ | PEPTIDE2135{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Hph(4-Cl)/">[Hph(4-Cl... | -7.67 | 98 | 1276.316 | 2135 | null | null | 2.5899999999999997e+81 | 16.9317529 | 38.62493534 | 23.49456097 | 744.7678085 | null | 17.9699862 | 0.390716756 | 17.9699862 | 0.247548563 | 1.936275811 | 0.247548563 | -8.209378466 | -0.390716756 | 4.1437 | 375.0926 | 1390.22 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 13 | 5 | 26 | 0 | 35 | 0 | 2 | 2 | 546 | pd362 | null | -7.499427256 | 3.988101454 | 65.54733945 | 54.16103222 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 128.7897169 | 110.5168202 | 189.7345432 | 56.97410909 | null | -6.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CCc2ccc(Cl)cc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C1=O | 216.3325468 | 82.48709664 | 1.431199657 | 60.43853126 | 29.46978843 | 205.7140374 | 74.81822704 | 70.53130467 | 0 | 0.0 | null | null | null | null | ['Sar', 'meF', 'I', 'meL', 'T', 'Sar', 'meL', 'meL', 'Hph(4-Cl)', 'meV', 'Asp_piperidide'] | [-0.2531000000000001, 1.3581999999999996, 0.8193999999999999, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 1.1616, 2.0594999999999994, 0.7715000000000001, 0.1758999999999995] | [20.31, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 20.31, 29.1, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 11.60093989 | 251.6847197 | 70.28029601 | 29.46978843 | 291.8959645 | 54.38176837 | 10.67000163 | 0.0 | 0 | 2018_CHUGAI | 2135 | null | 299.11 | null | 1030.383977 | 5.925100476 | 183.7327045 | -11.88366709 | -6.472485282 | -99.38001121 | -94.90567603 | -81.74376042 | -145.045071 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.158127335 | null |
6351a30c459695b9abec09fb31f10e3f8a824564d5a86d5abe567d9359072f5c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,135 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dV', 'meF', 'Nva(Ph)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meA', 'Asp_piperidide'] | 94 | 2136 | -5.96 | -5.96 | Circle | 3 | -2.99e-16 | -2.756981885 | -2.02e-16 | -2.887012606 | -6.59e-17 | -1.135208338 | 1.45e-15 | -0.249287763 | 3.048980801 | 8610.815653 | 223.0 | null | -5.96 | 177.1629249 | 165.5820392 | 49.58203921 | 94.55793014 | 82.88798918 | 25.24367291 | 17.10463183 | 17.10463183 | 10.12005196 | 10.12005196 | 5.900552617 | 5.900552617 | null | null | null | null | 541.9806062 | 66.00182831 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 93.27202292 | 1432.873396 | 0.601941748 | 1.145631068 | 1.699029126 | 0.61038961 | 214.0 | PEPTIDE2136{[dV].[meF].[Nva(Ph)].[meL].T.[Sar].[meL].[Ser(tBu)].[meF].[meA].[Asp_piperidide]}$PEPTIDE2136,PEPTIDE2136,1:R1-11:R2$$$ | PEPTIDE2136{<a href="/monomers/dV/">[dV]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Ser(tBu)/">[Ser(tBu)]</a>.<a href="/monomers... | -8.78 | 103 | 1316.917 | 2136 | null | null | 3.63e+85 | 17.84190683 | 39.75272644 | 25.26515008 | 772.3332362 | null | 18.05073083 | 0.390716756 | 18.05073083 | 0.247548563 | 2.024299272 | 0.247548563 | -8.079442884 | -0.390716756 | 3.8923 | 391.6083 | 1433.845 | Circle | 11 | 11 | null | 6 | 26 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 14 | 6 | 26 | 0 | 32 | 0 | 2 | 2 | 568 | pd363 | null | -7.001737626 | 4.855255224 | 70.69410603 | 60.17892468 | 7.059210392 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 119.6150873 | 177.2552151 | 72.23259535 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 225.2227689 | 70.88615675 | 1.431199657 | 60.84843488 | 17.68187306 | 217.3329807 | 67.9045257 | 107.3266351 | 0 | 0.0 | [['Caco2']] | [2017] | [['-5.96']] | ['2018_CHUGAI'] | ['dV', 'meF', 'Nva(Ph)', 'meL', 'T', 'Sar', 'meL', 'Ser(tBu)', 'meF', 'meA', 'Asp_piperidide'] | [0.4292999999999995, 1.3581999999999996, 1.7961999999999996, 1.1616, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.5883999999999996, 1.3581999999999996, 0.1353999999999999, 0.1758999999999995] | [29.1, 20.31, 29.1, 20.31, 38.33, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 26.54906677 | 0.0 | 0.0 | 0.0 | 251.4900519 | 81.39008387 | 17.68187306 | 293.8280082 | 90.63628061 | 7.059210392 | 0.0 | 0 | 2018_CHUGAI | 2017 | null | 317.13 | null | 1066.004139 | 0.0 | 188.4480976 | -13.15475116 | -16.36258765 | -84.64745265 | -117.5984853 | -81.1109495 | -137.8280106 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 7 | 5 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.111783255 | null |
da91f21d9513048f480749cbb609019f5ca63048ca406410e437e447306f1426 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2,137 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Nva(Ph)', 'meL', 'meF', 'A', 'meF', 'meV', 'T', 'Sar', 'meL', 'Asp_piperidide'] | 88 | 2138 | -5.82 | -5.82 | Circle | 5 | -2.28e-16 | -2.757935275 | -1.89e-16 | -2.884009377 | -4.42e-17 | -1.135212671 | 1.72e-15 | -0.249287763 | 2.989062304 | 8254.633349 | 222.0 | null | -5.82 | 168.9558181 | 157.6737909 | 47.67379092 | 90.31214823 | 79.00613409 | 24.30903142 | 16.44292826 | 16.44292826 | 10.03260188 | 10.03260188 | 5.840866214 | 5.840866214 | null | null | null | null | 522.6827092 | 57.73619345 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 93.27202292 | 1374.831532 | 0.575757576 | 1.141414141 | 1.696969697 | 0.594594595 | 202.0 | PEPTIDE2138{[meA].[Nva(Ph)].[meL].[meF].A.[meF].[meV].T.[Sar].[meL].[Asp_piperidide]}$PEPTIDE2138,PEPTIDE2138,1:R1-11:R2$$$ | PEPTIDE2138{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Nva(Ph)/">[Nva(Ph)]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/Sar/">[Sar]</... | -8.74 | 99 | 1264.885 | 2138 | null | null | 5.73e+79 | 17.23623629 | 38.0054573 | 22.64074325 | 739.8469565 | null | 18.09747587 | 0.390716756 | 18.09747587 | 0.247548565 | 1.993808998 | 0.247548565 | -8.135202489 | -0.390716756 | 3.4393 | 376.2046 | 1375.765 | Circle | 11 | 11 | null | 5 | 25 | null | null | 0 | 2 | 2 | 3 | 0 | 3 | 13 | 5 | 25 | 0 | 32 | 0 | 2 | 2 | 544 | pd365 | null | -5.917189689 | 4.548003941 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 131.7476333 | 105.9113031 | 180.1187663 | 57.33104219 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N1C | 212.2202711 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 198.0281457 | 68.32136735 | 107.3266351 | 0 | 0.0 | [['Caco2'], ['Caco2']] | [2016, 7914] | [['-5.82'], ['-5.82']] | ['2018_CHUGAI', '2023_Ohta'] | ['meA', 'Nva(Ph)', 'meL', 'meF', 'A', 'meF', 'meV', 'T', 'Sar', 'meL', 'Asp_piperidide'] | [0.1353999999999999, 1.7961999999999996, 1.1616, 1.3581999999999996, -0.2068000000000003, 1.3581999999999996, 0.7715000000000001, -0.1918000000000002, -0.2531000000000001, 1.1616, 0.1758999999999995] | [20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 20.31, 38.33, 20.31, 20.31, 49.41] | 21.23925341 | 0.0 | 0.0 | 0.0 | 251.2057525 | 76.65322091 | 17.68187306 | 273.2704311 | 90.63628061 | 5.647368313 | 0.0 | 0 | 2018_CHUGAI | 2016 | null | 299.11 | null | 1004.877902 | 0.0 | 183.748731 | -9.358523295 | -9.569190668 | -83.29412515 | -115.2491556 | -80.2854765 | -124.3701621 | 0.0 | 1.0 | 2018 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 7 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.145953559 | null |
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